%{search_type} search results

Cell Reports. Physical Science promotes collaboration and interdisciplinary work between physical scientists. Articles express fundamental insight and/or technological application within fields including: chemistry, physics, materials science, energy science, and engineering. Includes short-form single-point stories called Reports, longer Articles and short Reviews covering recent literature in emerging and active fields.

• Using Flipped Classroom Settings to Shift the Focus of a General Chemistry Course from Topic Knowledge to Learning and Problem-Solving Skills: A Tale of Students Enjoying the Class They Were Expecting to Hate / Ramella, Daniele, College of Science and Technology-Department of Chemistry, Temple University, 1901 North 13th Street, Philadelphia, Pennsylvania 19122, United States; Brock, Benjamin E., CAT-Center for Advancement of Teaching, Temple University, Philadelphia, Pennsylvania 19122, United States, School of Education, Temple University, Philadelphia, Pennsylvania 19122, United States; Velopolcek, Maria K., Department of Chemistry, Duke University, Durham, North Carolina 27701, United States; Winters, Kyle P., School of Dentistry, Temple University, Philadelphia, Pennsylvania 19140, United States / http://dx.doi.org/10.1021/bk-2019-1322.ch001
• Combining Pre-class Preparation with Collaborative In-Class Activities to Improve Student Engagement and Success in General Chemistry / Blaser, Mark / http://dx.doi.org/10.1021/bk-2019-1322.ch002
• Using Clicker-Based Group Work Facilitated by a Modified Peer Instruction Process in a Highly Successful Flipped General Chemistry Classroom / Pollozi, Shejla, Department of Chemistry, Lehman College of the City University of New York, 250 Bedford Park Boulevard West, Bronx, New York 10468, United States, Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, New York, New York 10016, United States; Haddad, Ibrahim, Department of Chemistry, Lehman College of the City University of New York, 250 Bedford Park Boulevard West, Bronx, New York 10468, United States; Tyagi, Aanchal, Department of Chemistry, Lehman College of the City University of New York, 250 Bedford Park Boulevard West, Bronx, New York 10468, United States; Mills, Pamela, Department of Chemistry, Lehman College of the City University of New York, 250 Bedford Park Boulevard West, Bronx, New York 10468, United States, Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, New York, New York 10016, United States; McGregor, Donna, Department of Chemistry, Lehman College of the City University of New York, 250 Bedford Park Boulevard West, Bronx, New York 10468, United States, Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, New York, New York 10016, United States / http://dx.doi.org/10.1021/bk-2019-1322.ch003
• Maximizing Learning Efficiency in General Chemistry / Cracolice, Mark S., Department of Chemistry & Biochemistry, University of Montana, Missoula, Montana 59812, United States; Queen, Matt, Department of Biological and Physical Sciences, Montana State University Billings, 1500 University Drive, Billings, Montana 59101, United States / http://dx.doi.org/10.1021/bk-2019-1322.ch004
• Flipping General Chemistry in Small Classes: Students' Perception and Success / Hutchinson-Anderson, Kelly M. / http://dx.doi.org/10.1021/bk-2019-1322.ch005
• Active Learning in the Large Lecture Hall Format / LaBrake, Cynthia / http://dx.doi.org/10.1021/bk-2019-1322.ch006
• Large-Scale, Team-Based Curriculum Transformation and Student Engagement in General Chemistry I and II / Lamont, Liana B., Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States; Stoll, Lindy K., Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States; Pesavento, Theresa M., Department of Academic Technology, University of Wisconsin-Madison, 1305 Linden Drive, Madison, Wisconsin 53706, United States; Bain, Rachel L., Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States; Landis, Clark R., Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States; Sibert, Edwin L., Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States / http://dx.doi.org/10.1021/bk-2019-1322.ch007
• Active Learning in Hybrid-Online General Chemistry / Miller, Dionne A. / http://dx.doi.org/10.1021/bk-2019-1322.ch008
• A Course Transformation to Support First-Year Chemistry Education for Engineering Students / Addison, Christopher J.; Núñez, José Rodríguez / http://dx.doi.org/10.1021/bk-2019-1322.ch009
• Flipped Classroom Learning Environments in General Chemistry: What Is the Impact on Student Performance in Organic Chemistry? / Eichler, Jack F., Department of Chemistry, University of California, Riverside, Riverside, California 92521, United States; Peeples, Junelyn, Department of Chemistry, University of California, Riverside, Riverside, California 92521, United States / http://dx.doi.org/10.1021/bk-2019-1322.ch010
• Editors' Biographies / http://dx.doi.org/10.1021/bk-2019-1322.ot001

• Trying on Teaching: Transforming STEM Classrooms with a Learning Assistant Program / Schick, Carolyn P. / http://dx.doi.org/10.1021/bk-2018-1280.ch001
• Synergistic Efforts To Support Early STEM Students / Owens, Kalyn S., Chemistry Department, North Seattle College, 9600 College Way N., Seattle, WashingtonA 98103, United States; Murkowski, Ann J., Biology Department, North Seattle College, 9600 College Way N., Seattle, Washington 98103, United States / http://dx.doi.org/10.1021/bk-2018-1280.ch002
• Improving Student Outcomes with Supplemental Instruction / Flaris, Vicki / http://dx.doi.org/10.1021/bk-2018-1280.ch003
• Using Strategic Collaborations To Expand Instrumentation Access at Two-Year Colleges / Stromberg, Christopher J., Department of Chemistry and Physics, Hood College, 401 Rosemont Ave., Frederick, Maryland 21701, United States; Ellis, Debra, Department of Science, Frederick Community College, 7932 Opossumtown Pike, Frederick Maryland 21702, United States; Wood, Perry A. D., Department of Science, Frederick Community College, 7932 Opossumtown Pike, Frederick Maryland 21702, United States; Bennett, Kevin H., Department of Chemistry and Physics, Hood College, 401 Rosemont Ave., Frederick, Maryland 21701, United States; Patterson, Garth E., Department of Science, Mount St. Mary's University, 16300 Old Emmitsburg Road, Emmitsburg, Maryland 21727, United States; Bradley, Christopher, Department of Science, Mount St. Mary's University, 16300 Old Emmitsburg Road, Emmitsburg, Maryland 21727, United States / http://dx.doi.org/10.1021/bk-2018-1280.ch004
• Development of a Pre-Professional Program at a Rural Community College / Burchett, Shayna; Hayes, Jack Lee / http://dx.doi.org/10.1021/bk-2018-1280.ch005
• Student Affective State: Implications for Prerequisites and Instruction in Introductory Chemistry Classes / Ross, J.; Lai, C.; Nuñez, L. / http://dx.doi.org/10.1021/bk-2018-1280.ch006
• In-Class Worksheets for Student Engagement and Success / Gyanwali, Gaumani / http://dx.doi.org/10.1021/bk-2018-1280.ch007
• A Tool Box Approach for Student Success in Chemistry / Alexander, Janice / http://dx.doi.org/10.1021/bk-2018-1280.ch008
• Identifying, Recruiting, and Motivating Undergraduate Student Researchers at a Community College / Schauer, Douglas J. / http://dx.doi.org/10.1021/bk-2018-1280.ch009
• Honors Modules To Infuse Research into the Chemistry Curriculum / Palmer, Alycia M.; Anna, Laura J. / http://dx.doi.org/10.1021/bk-2018-1280.ch010
• College Students Get Excited about Whiskey: The Pseudo-Accidental Creation of a Thriving Independent Student Research Program at a Two-Year Community College / Silvestri, Regan / http://dx.doi.org/10.1021/bk-2018-1280.ch011
• What To Know Before You Write Your First NSF Proposal / Higgins, Thomas B. / http://dx.doi.org/10.1021/bk-2018-1280.ch012
• Editors' Biographies / http://dx.doi.org/10.1021/bk-2018-1280.ot001

Nearly half of all undergraduate students enroll in a two-year college, and many STEM students take their introductory chemistry courses at a two-year college. The educational pathway of these students is often complex and nonlinear towards completion of a certificate, degree and/or transfer to a four-year program. These non-traditional pathways present distinct challenges in and out of the classroom for the educators who are trying to serve this important and diverse group of students. This book provides some insight into the current state of chemistry education reform at two-year colleges, provides specific ways to address some of the challenges of educating two-year college students, and reports strategies for success in chemistry at the two-year college. The contributing authors are chemical educators who have presented at one or more of our Strategies Promoting Success of Two-year College Students symposia that have been held at the Spring ACS National meetings since 2015.
(source: Nielsen Book Data)

• Frontiers in Molecular Design and Chemical Information Science: Introduction / Bienstock, Rachelle J. / http://dx.doi.org/10.1021/bk-2016-1222.ch001
• Complexity and Heterogeneity of Data for Chemical Information Science / Bajorath, Jürgen / http://dx.doi.org/10.1021/bk-2016-1222.ch002
• Exploring Molecular Promiscuity from a Ligand and Target Perspective / Hu, Ye; Bajorath, Jürgen / http://dx.doi.org/10.1021/bk-2016-1222.ch003
• Network Variants for Analyzing Target-Ligand Interactions / Hu, Ye; Bajorath, Jürgen / http://dx.doi.org/10.1021/bk-2016-1222.ch004
• Going Beyond R-Group Tables / Shanmugasundaram, Veerabahu; Zhang, Liying; Poss, Christopher; Milbank, Jared; Starr, Jeremy / http://dx.doi.org/10.1021/bk-2016-1222.ch005
• Molecular Similarity Approaches in Chemoinformatics: Early History and Literature Status / Willett, Peter / http://dx.doi.org/10.1021/bk-2016-1222.ch006
• Non-Specificity of Drug-Target Interactions – Consequences for Drug Discovery / Maggiora, Gerald; Gokhale, Vijay / http://dx.doi.org/10.1021/bk-2016-1222.ch007
• Coping with Complexity in Ligand-Based De Novo Design / Schneider, Gisbert, Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, CH-8093 Zurich, Switzerland; Schneider, Petra, Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, CH-8093 Zurich, Switzerland, inSili.com LLC, Segantinisteig 3, CH-8049 Zurich, Switzerland / http://dx.doi.org/10.1021/bk-2016-1222.ch008
• Soft Sensors: Chemoinformatic Model for Efficient Control and Operation in Chemical Plants / Kaneko, Hiromasa; Funatsu, Kimito / http://dx.doi.org/10.1021/bk-2016-1222.ch009
• Data Visualization & Clustering: Generative Topographic Mapping Similarity Assessment Allied to Graph Theory Clustering / Escobar, Matheus de Souza; Kaneko, Hiromasa; Funatsu, Kimito / http://dx.doi.org/10.1021/bk-2016-1222.ch010
• Generative Topographic Mapping Approach to Chemical Space Analysis / Gaspar, Héléna A., Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Sidorov, Pavel, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia; Horvath, Dragos, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Baskin, Igor I., Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia; Marcou, Gilles, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Varnek, Alexandre, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia / http://dx.doi.org/10.1021/bk-2016-1222.ch011
• Visualization of a Multidimensional Descriptor Space / Gaspar, Héléna A., Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Baskin, Igor I., Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan 420008, Russia; Varnek, Alexandre, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France / http://dx.doi.org/10.1021/bk-2016-1222.ch012
• The Application of Cheminformatics in the Analysis of High-Throughput Screening Data / Walters, W. Patrick; Aronov, Alexander; Goldman, Brian; McClain, Brian; Perola, Emanuele; Weiss, Jonathan / http://dx.doi.org/10.1021/bk-2016-1222.ch013
• Steps Toward a Virtual Rat: Predictive Absorption, Distribution, Metabolism, and Toxicity Models / Tseng, Yufeng J., Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106, Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Su, Bo-Han, Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Hsu, Ming-Tsung, Genome and Systems Biology Degree Program, National Taiwan University and Academia Sinica, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Lin, Olivia A., Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106 / http://dx.doi.org/10.1021/bk-2016-1222.ch014
• How Many Fingers Does a Compound Have? Molecular Similarity beyond Chemical Space / Lounkine, Eugen; Camargo, Miguel L. / http://dx.doi.org/10.1021/bk-2016-1222.ch015
• The Many Facets of Screening Library Design / Boehm, Markus; Zhang, Liying; Bodycombe, Nicole; Maciejewski, Mateusz; Wassermann, Anne Mai / http://dx.doi.org/10.1021/bk-2016-1222.ch016
• Editors’ Biographies / http://dx.doi.org/10.1021/bk-2016-1222.ot001

This book focuses on broadly defined areas of chemical information science- with special emphasis on chemical informatics- and computer-aided molecular design. The computational and cheminformatics methods discussed, and their application to drug discovery, are essential for sustaining a viable drug development pipeline.
(source: Nielsen Book Data)

• Frontiers in Molecular Design and Chemical Information Science: Introduction / Bienstock, Rachelle J. / http://dx.doi.org/10.1021/bk-2016-1222.ch001
• Complexity and Heterogeneity of Data for Chemical Information Science / Bajorath, Jürgen / http://dx.doi.org/10.1021/bk-2016-1222.ch002
• Exploring Molecular Promiscuity from a Ligand and Target Perspective / Hu, Ye; Bajorath, Jürgen / http://dx.doi.org/10.1021/bk-2016-1222.ch003
• Network Variants for Analyzing Target-Ligand Interactions / Hu, Ye; Bajorath, Jürgen / http://dx.doi.org/10.1021/bk-2016-1222.ch004
• Going Beyond R-Group Tables / Shanmugasundaram, Veerabahu; Zhang, Liying; Poss, Christopher; Milbank, Jared; Starr, Jeremy / http://dx.doi.org/10.1021/bk-2016-1222.ch005
• Molecular Similarity Approaches in Chemoinformatics: Early History and Literature Status / Willett, Peter / http://dx.doi.org/10.1021/bk-2016-1222.ch006
• Non-Specificity of Drug-Target Interactions – Consequences for Drug Discovery / Maggiora, Gerald; Gokhale, Vijay / http://dx.doi.org/10.1021/bk-2016-1222.ch007
• Coping with Complexity in Ligand-Based De Novo Design / Schneider, Gisbert, Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, CH-8093 Zurich, Switzerland; Schneider, Petra, Swiss Federal Institute of Technology (ETH), Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 4, CH-8093 Zurich, Switzerland, inSili.com LLC, Segantinisteig 3, CH-8049 Zurich, Switzerland / http://dx.doi.org/10.1021/bk-2016-1222.ch008
• Soft Sensors: Chemoinformatic Model for Efficient Control and Operation in Chemical Plants / Kaneko, Hiromasa; Funatsu, Kimito / http://dx.doi.org/10.1021/bk-2016-1222.ch009
• Data Visualization & Clustering: Generative Topographic Mapping Similarity Assessment Allied to Graph Theory Clustering / Escobar, Matheus de Souza; Kaneko, Hiromasa; Funatsu, Kimito / http://dx.doi.org/10.1021/bk-2016-1222.ch010
• Generative Topographic Mapping Approach to Chemical Space Analysis / Gaspar, Héléna A., Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Sidorov, Pavel, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia; Horvath, Dragos, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Baskin, Igor I., Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia; Marcou, Gilles, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Varnek, Alexandre, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan, Russia / http://dx.doi.org/10.1021/bk-2016-1222.ch011
• Visualization of a Multidimensional Descriptor Space / Gaspar, Héléna A., Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France; Baskin, Igor I., Faculty of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia, Laboratory of Chemoinformatics, Butlerov Institute of Chemistry, Kazan Federal University, Kazan 420008, Russia; Varnek, Alexandre, Laboratoire de Chemoinformatique, UMR 7140, Université de Strasbourg, 1 rue Blaise Pascal, Strasbourg 67000, France / http://dx.doi.org/10.1021/bk-2016-1222.ch012
• The Application of Cheminformatics in the Analysis of High-Throughput Screening Data / Walters, W. Patrick; Aronov, Alexander; Goldman, Brian; McClain, Brian; Perola, Emanuele; Weiss, Jonathan / http://dx.doi.org/10.1021/bk-2016-1222.ch013
• Steps Toward a Virtual Rat: Predictive Absorption, Distribution, Metabolism, and Toxicity Models / Tseng, Yufeng J., Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106, Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Su, Bo-Han, Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Hsu, Ming-Tsung, Genome and Systems Biology Degree Program, National Taiwan University and Academia Sinica, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106; Lin, Olivia A., Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Sec. 4, Roosevelt Road, Taipei, Taiwan 106 / http://dx.doi.org/10.1021/bk-2016-1222.ch014
• How Many Fingers Does a Compound Have? Molecular Similarity beyond Chemical Space / Lounkine, Eugen; Camargo, Miguel L. / http://dx.doi.org/10.1021/bk-2016-1222.ch015
• The Many Facets of Screening Library Design / Boehm, Markus; Zhang, Liying; Bodycombe, Nicole; Maciejewski, Mateusz; Wassermann, Anne Mai / http://dx.doi.org/10.1021/bk-2016-1222.ch016
• Editors’ Biographies / http://dx.doi.org/10.1021/bk-2016-1222.ot001

This book focuses on broadly defined areas of chemical information science- with special emphasis on chemical informatics- and computer-aided molecular design. The computational and cheminformatics methods discussed, and their application to drug discovery, are essential for sustaining a viable drug development pipeline.
(source: Nielsen Book Data)

Scientists from the around the world converged in Knoxville, TN to have share ideas, present technical information and contribute to the advancement of neutron scattering. Featuring over 400 oral/poster presentations, ACNS 2014 offered a strong program of plenary, invited and contributed talks and poster sessions covering topics in soft condensed matter, hard condensed matter, biology, chemistry, energy and engineering applications in neutron physics – confirming the great diversity of science that is enabled by neutron scattering.

• 1 Mathematical Thinking
• 2. Numbers 3 Algebra 4 Trigonometry 5 Analytic Geometry 6 Calculus 7 Series and Integrals 8 Differential Equations 9 Matrix Algebra 10 Multivariable Calculus 11 Vector Analysis 12 Special Functions 13 Complex Variables.
• (source: Nielsen Book Data)

This book reminds students in junior, senior and graduate level courses in physics, chemistry and engineering of the math they may have forgotten (or learned imperfectly) that is needed to succeed in science courses. The focus is on math actually used in physics, chemistry, and engineering, and the approach to mathematics begins with 12 examples of increasing complexity, designed to hone the student's ability to think in mathematical terms and to apply quantitative methods to scientific problems. Detailed illustrations and links to reference material online help further comprehension. The second edition features new problems and illustrations and features expanded chapters on matrix algebra and differential equations.
(source: Nielsen Book Data)

• Current Status of Manufacture of Sulfuric Acid.- Sulfuric Acid Plant with Co-Generation of Power.- Sulphonating Agents and Derivatives based on Sulfuric Acid.- Innovations / Modifications in Technology.- Equipments Required for the Manufacture of Sulfuric Acid, Oleums and Liquid Sulphur Trioxide.- Materials of Construction of Main Equipments.- Safety Precautions.- Economic Considerations.- Future Developments.-
• Cold Process of Manufacturing Sulfuric Acid and Sulphonating Agents Patented by NEAT.- Storage, Handling and Properties of Sulphur, Sulfuric Acid, oleum and Liquid Sulphur Trioxide.
• (source: Nielsen Book Data)

This critical volume provides practical insights on sulfuric acid and related plant design and on techniques to improve and enhance substantially the efficiency of an existing plant by means of small modifications. The book provides readers with a better understanding of the state-of-art in sulfuric acid manufacture as well as, importantly, in the manufacture of value-added products based on sulfur that are also associated with the manufacture of sulfuric acid. Overall, engineers and plant managers will be introduced to technologies for making their sulfuric acid enterprises more productive, remunerative, and environmentally friendly. A Practical Guide to the Manufacture of Sulfuric Acid, Oleums, and Sulfonating Agents covers sulfuric acid and derivative chemical plant details from the nuts-and-bolts level to a holistic perspective based on actual field experience. The book is indispensable to anyone involved in implementing a sulfuric acid or related chemical plant.
(source: Nielsen Book Data)

• Introduction.- Analysis of Herbicides on a Single C30 Bead via the Platform Combined Microfluidic Device with ESI-Q-TOF-MS.- Monitoring of Glutamate Release from Neuronal Cell Based on the Analysis Platform Combining the Microfluidic Devices with ESI-Q-TOF-MS.- Microfluidic Device with Integrated Porous Membrane for Cell Sorting and Separation.- Cell Co-culture and Signaling Analysis Based on Microfluidic Devices Coupling with ESI-Q-TOF-MS.
• (source: Nielsen Book Data)

This thesis describes a new approach for cell analysis by the rapid developing microfluidic technology. The nominee has made great contributions to develop a new analysis platform which combined microfluidic devices with mass spectrometry to determine the trace compounds secreted by cells. Based on this analysis platform, she studied the specific cell secreting behaviors under controlled microenvironment, of which the secretion compounds were qualified and semi-quantified by mass spectrometry. A novel cell sorting device integrated homogenous porous PDMS membrane was invented to classify cells from real samples based on the size difference. The nominee further studied the signal transmission between different cells, and the signal chemicals were qualitative and quantitative monitored by the analysis platform. This indicates the potential significant application of the new cell analysis platform in medicine screening and early diagnosis.
(source: Nielsen Book Data)

• Preface XIII List of Contributors XV
• 1 Characterization of Nanocomposite Materials: An Overview
• 1 Vikas Mittal 1.1 Introduction
• 1 1.2 Characterization of Morphology and Properties
• 2 1.3 Examples of Characterization Techniques
• 5 References
• 12
• 2 Thermal Characterization of Fillers and Polymer Nanocomposites
• 13 Vikas Mittal 2.1 Introduction
• 13 2.2 TGA of Fillers
• 13 2.3 TGA of Polymer Nanocomposites
• 23 2.4 DSC of Fillers
• 25 2.5 DSC of Composites
• 26
• 3 Flame-Retardancy Characterization of Polymer Nanocomposites
• 33 Joseph H. Koo, Si Chon Lao, and Jason C. Lee 3.1 Introduction
• 33 3.2 Types of Flame-Retardant Nanoadditives
• 33 3.3 Thermal, Flammability, and Smoke Characterization Techniques
• 42 3.4 Thermal and Flame Retardancy of Polymer Nanocomposites
• 46 3.5 Flame Retardant Mechanisms of Polymer Nanocomposites
• 66 3.6 Concluding Remarks and Trends of Polymer Nanocomposites
• 68 Acknowledgments
• 69 References
• 69
• 4 PVT Characterization of Polymeric Nanocomposites
• 75 Leszek A. Utracki 4.1 Introduction
• 75 4.2 Components of Polymeric Nanocomposites
• 76 4.3 Pressure--Volume--Temperature ( PVT ) Measurements
• 79 4.4 Derivatives, Compressibility, and Thermal Expansion Coeffi cient
• 83 4.5 Thermodynamic Theories
• 89 4.6 Thermodynamic Interaction Coefficients
• 100 4.7 Theoretical Predictions
• 105 4.8 Summary and Conclusions
• 106 References
• 109
• 5 Following the Nanocomposites Synthesis by Raman Spectroscopy and X-Ray Photoelectron Spectroscopy (XPS)
• 115 Sorina Alexandra Garea and Horia Iovu 5.1 Nanocomposites Based on POSS and Polymer Matrix
• 115 5.2 Raman and XPS Applied in Synthesis of Nanocomposites Based on Carbon Nanotubes and Polymers
• 129 Acknowledgments
• 138 References
• 138
• 6 Tribological Characterization of Polymer Nanocomposites
• 143 Markus Englert and Alois K. Schlarb 6.1 Introduction
• 143 6.2 Tribological Fundamentals
• 144 6.3 Wear Experiments
• 149 6.4 Selection Criteria
• 152 6.5 Design of Polymer Nanocomposites and Multiscale Composites
• 153 6.6 Selected Experimental Results
• 153 References
• 165
• 7 Dielectric Relaxation Spectroscopy for Polymer Nanocomposites
• 167 Chetan Chanmal and Jyoti Jog 7.1 Introduction
• 167 7.2 Theory of Dielectric Relaxation Spectroscopy
• 168 7.3 PVDF/Clay Nanocomposites
• 171 7.4 PVDF/BaTiO3 Nanocomposites
• 175 7.5 PVDF/Fe3O4 Nanocomposites
• 177 7.6 Comparative Analysis of PVDF Nanocomposites
• 181 7.7 Conclusions
• 182 Acknowledgment
• 182 Nomenclature
• 182 References
• 183
• 8 AFM Characterization of Polymer Nanocomposites
• 185 Ken Nakajima, Dong Wang, and Toshio Nishi 8.1 Atomic Force Microscope (AFM)
• 185 8.2 Elasticity Measured by AFM
• 193 8.3 Example Studies
• 201 8.4 Conclusion
• 225 References
• 225
• 9 Electron Paramagnetic Resonance and Solid-State NMR Studies of the Surfactant Interphase in Polymer--Clay Nanocomposites
• 229 Gunnar Jeschke 9.1 Introduction
• 229 9.2 NMR, EPR, and Spin Labeling Techniques
• 230 9.3 Characterization of Organically Modified Layered Silicates
• 237 9.4 Characterization of Nanocomposites
• 242 9.5 Conclusion
• 247 Acknowledgments
• 248 References
• 248
• 10 Characterization of Rheological Properties of Polymer Nanocomposites
• 251 Mo Song and Jie Jin 10.1 Introduction
• 251 10.2 Fundamental Rheological Theory for Studying Polymer Nanocomposites
• 252 10.3 Characterization of Rheological Properties of Polymer Nanocomposites
• 257 10.4 Conclusions
• 279 References
• 280
• 11 Segmental Dynamics of Polymers in Polymer/Clay Nanocomposites Studied by Spin-Labeling ESR
• 283 Yohei Miwa, Shulamith Schlick, and Andrew R. Drews 11.1 Introduction
• 283 11.2 Spin Labeling: Basic Principles
• 284 11.3 Exfoliated Poly(methyl acrylate) (PMA)/Clay Nanocomposites
• 286 11.4 Intercalated Poly(ethylene oxide) (PEO)/Clay Nanocomposites
• 293 11.5 Conclusions
• 300 Acknowledgments
• 301 References
• 301
• 12 Characterization of Polymer Nanocomposite Colloids by Sedimentation Analysis
• 303 Vikas Mittal 12.1 Introduction
• 303 12.2 Materials and Experimental Methods
• 305 12.3 Results and Discussion
• 307 12.4 Conclusions
• 319 Acknowledgments
• 320 References
• 320
• 13 Biodegradability Characterization of Polymer Nanocomposites
• 323 Katherine M. Dean, Parveen Sangwan, Cameron Way, and Melissa A.L. Nikolic 13.1 Introduction
• 323 13.2 Methods of Measuring Biodegradation
• 323 13.3 Standards for Biodegradation
• 331 13.4 Biodegradable Nanocomposites
• 331 13.5 Starch Nanocomposites
• 336 13.6 PCL Nanocomposites
• 337 13.7 PHA/PHB Nanocomposites
• 339 13.8 Nanocomposites of Petrochemical-Based Polymer
• 342 13.9 Conclusions
• 343 References
• 343 Index 347.
• (source: Nielsen Book Data)

• CHARACTERIZATION OF NANOCOMPOSITE MATERIALS: AN OVERVIEW Introduction Characterization of Morphology and Properties Examples of Characterization Techniques THERMAL CHARACTERIZATION OF FILLERS AND POLYMER NANOCOMPOSITES Introduction TGA of Fillers TGA of Polymer Nanocomposites DSC of Fillers DSC of Composites FLAME RETARDANDY CHARACTERIZATION OF POLYMER NANOCOMPOSITES Introduction Types of Flame Retardant Nanoadditives Thermal, Flammability, and Smoke Characterization Techniques Thermal and Flame Retardancy of Polymer Nanocomposites PVT CHARACTERIZATION OF POLYMERIC NANOCOMPOSITES Introduction Components of Polymeric Nanocomposites Pressure-Volume-Temperature (PVT) Measurements Derivatives
• Compressibility and Thermal Expansion Coefficient Thermodynamic Theories Thermodynamic Interaction Coefficients Theoretical Predictions Summary and Conclusions FOLLOWING THE NANOCOMPOSITES SYNTHESIS BY RAMAN SPECTROSCOPY AND X-RAY PHOTOELECTRON SPECTROSCOPY (XPS) Nanocomposites Based on POSS and Polymer Matrix Raman and XPS Applied in Synthesis of Nanocomposites Based on Carbon Nanotubes and Polymers TRIBOLOGICAL CHARACTERIZATION OF POLYMER NANOCOMPOSITES Introduction Tribological Fundamentals Wear Experiments Selection Criteria Design of Polymer Nanocomposites and Multiscale-Composites Selected Experimental Results DIELECTRIC RELAXATION SPECTROSCOPY FOR POLYMER NANOCOMPOSITES Introduction Theory of Dielectric Relaxation Spectroscopy PVDF/Clay Nanocomposites PVDF/BaTiO3 Nanocomposites PVDF/Fe3O4 Nanocomposites Comparative Analysis of PVDF Nanocomposites Conclusions AFM CHARACTERIZATION OF POLMYER NANOCOMPOSITES Atomic Force Microscope (AFM) Elasticity Measured by AFM Example Studies Conclusion ELECTRON PARAMAGNETIC RESONANCE AND SOLID-STATE NMR STUDIES OF THE SURFACTANT INTERPHASE IN POLYMER-CLAY NANOCOMPOSITES Introduction NMR, EPR and Spin Labeling Techniques Characterization of Organically Modified Layered Silicates Characterization of Nanocomposites Conclusion CHARACTERIZATION OF RHEOLOGICAL PROPERTIES OF POLYMER NANOCOMPOSITES Introduction Fundamental Rheological Theory for Studying Polymer Nanocomposites Characterization of Rheological Properties of Polymer Nanocomposites Conclusions SEGMENTAL DYNAMICS OF POLYMERS IN POLYMER/CLAY NANOCOMPOSITES STUDIED BY SPIN-LABELING ESR Introduction Spin-Labeling: Basic Principles Exfoliated Poly(methyl acrylate) (PMA)/Clay Nanocomposites Intercalated Poly(ethylene oxide) (PEO)/Clay Nanocomposites Conclusions CHARACTERIZATION OF POLYMER NANOCOMPOSITE COLLOIDS BY SEDIMENTATION ANALYSIS Introduction Materials and Experimental Methods Results and Discussion Conclusions BIODEGRADABILITY CHARACTERIZATION OF POLYMER NANOCOMPOSITES Introduction Methods of Measuring Biodegradation Standards for Biodegradation Biodegradable Nanocomposites Starch Nanocomposites PCL Nanocomposites PHA/PHB Nanocomposites Nanocomposites of Petrochemical Based Polymer Conclusions.
• (source: Nielsen Book Data)

With its focus on the characterization of nanocomposites using such techniques as x-ray diffraction and spectrometry, light and electron microscopy, thermogravimetric analysis, as well as nuclear magnetic resonance and mass spectroscopy, this book helps to correctly interpret the recorded data. Each chapter introduces a particular characterization method, along with its foundations, and makes the user aware of its benefits, but also of its drawbacks. As a result, the reader will be able to reliably predict the microstructure of the synthesized polymer nanocomposite and its thermal and mechanical properties, and so assess its suitability for a particular application. Belongs on the shelf of every product engineer.
(source: Nielsen Book Data)

The Plutonium Science and Manufacturing Directorate provides world-class, safe, secure, and reliable special nuclear material research, process development, technology demonstration, and manufacturing capabilities that support the nation's defense, energy, and environmental needs. We safely and efficiently process plutonium, uranium, and other actinide materials to meet national program requirements, while expanding the scientific and engineering basis of nuclear weapons-based manufacturing, and while producing the next generation of nuclear engineers and scientists. Actinide Process Chemistry (NCO-2) safely and efficiently processes plutonium and other actinide compounds to meet the nation's nuclear defense program needs. All of our processing activities are done in a world class and highly regulated nuclear facility. NCO-2's plutonium processing activities consist of direct oxide reduction, metal chlorination, americium extraction, and electrorefining. In addition, NCO-2 uses hydrochloric and nitric acid dissolutions for both plutonium processing and reduction of hazardous components in the waste streams. Finally, NCO-2 is a key team member in the processing of plutonium oxide from disassembled pits and the subsequent stabilization of plutonium oxide for safe and stable long-term storage.

A premier applied-science laboratory, Lawrence Livermore National Laboratory (LLNL) has earned the reputation as a leader in providing science and technology solutions to the most pressing national and global security problems. The LDRD Program, established by Congress at all DOE national laboratories in 1991, is LLNL's most important single resource for fostering excellent science and technology for today's needs and tomorrow's challenges. The LDRD internally directed research and development funding at LLNL enables high-risk, potentially high-payoff projects at the forefront of science and technology. The LDRD Program at Livermore serves to: (1) Support the Laboratory's missions, strategic plan, and foundational science; (2) Maintain the Laboratory's science and technology vitality; (3) Promote recruiting and retention; (4) Pursue collaborations; (5) Generate intellectual property; and (6) Strengthen the U.S. economy. Myriad LDRD projects over the years have made important contributions to every facet of the Laboratory's mission and strategic plan, including its commitment to nuclear, global, and energy and environmental security, as well as cutting-edge science and technology and engineering in high-energy-density matter, high-performance computing and simulation, materials and chemistry at the extremes, information systems, measurements and experimental science, and energy manipulation. A summary of each project was submitted by the principal investigator. Project summaries include the scope, motivation, goals, relevance to DOE/NNSA and LLNL mission areas, the technical progress achieved in FY11, and a list of publications that resulted from the research. The projects are: (1) Nuclear Threat Reduction; (2) Biosecurity; (3) High-Performance Computing and Simulation; (4) Intelligence; (5) Cybersecurity; (6) Energy Security; (7) Carbon Capture; (8) Material Properties, Theory, and Design; (9) Radiochemistry; (10) High-Energy-Density Science; (11) Laser Inertial-Fusion Energy; (12) Advanced Laser Optical Systems and Applications; (12) Space Security; (13) Stockpile Stewardship Science; (14) National Security; (15) Alternative Energy; and (16) Climatic Change.

• Front Matter
• Containerless Undercooling of Drops and Droplets / Dieter M Herlach
• Computer-Aided Experiments in Containerless Processing of Materials / Robert W Hyers
• Demixing of Cu₆Co Alloys Showing a Metastable Miscibility Gap / Matthias Kolbe
• Short-Range Order in Undercooled Melts / Dirk Holland-Moritz
• Ordering and Crystal Nucleation in Undercooled Melts / Kenneth F Kelton, A Lindsay Greer
• Phase-Field Crystal Modeling of Homogeneous and Heterogeneous Crystal Nucleation / Gyula I T̤th, Tam̀s Pusztai, Gy̲rgy Tegze, L̀szl̤ Gr̀ǹsy
• Effects of Transient Heat and Mass Transfer on Competitive Nucleation and Phase Selection in Drop Tube Processing of Multicomponent Alloys / M Krivilyov, Jan Fransaer
• Containerless Solidification of Magnetic Materials Using the ISAS/JAXA 26-Meter Drop Tube / Shumpei Ozawa
• Nucleation and Solidification Kinetics of Metastable Phases in Undercooled Melts / Wolfgang L̲ser, Olga Shuleshova
• Nucleation Within the Mushy Zone / Douglas M Matson
• Measurements of Crystal Growth Velocities in Undercooled Melts of Metals / Thomas Volkmann
• Containerless Crystallization of Semiconductors / Kazuhiko Kuribayashi
• Measurements of Crystal Growth Dynamics in Glass-Fluxed Melts / Jianrong Gao, Zongning Zhang, Yikun Zhang, Chao Yang
• Influence of Convection on Dendrite Growth by the AC + DC Levitation Technique / Hideyuki Yasuda
• Modeling the Fluid Dynamics and Dendritic Solidification in EM-Levitated Alloy Melts / Valdis Bojarevics, Andrew Kao, Koulis Pericleous
• Forced Flow Effect on Dendritic Growth Kinetics in a Binary Nonisothermal System / P K Galenko, S Binder, G J Ehlen
• Atomistic Simulations of Solute Trapping and Solute Drag / J J Hoyt, M Asta, A Karma
• Particle-Based Computer Simulation of Crystal Nucleation and Growth Kinetics in Undercooled Melts / Roberto E Rozas, Philipp Kuhn, Jurgen Horbach
• Solidification Modeling: From Electromagnetic Levitation to Atomization Processing / Ch-A Gandin, D Tourret, T Volkmann, D M Herlach, A Ilbagi, H Henein
• Properties of p-Si-Ge Thermoelectrical Material Solidified from Undercooled Melt Levitated by Simultaneous Imposition of Static and Alternating Magnetic Fields / Takeshi Okutani, Tsuyoshi Hamada, Yuko Inatomi, Hideaki Nagai
• Quantitative Analysis of Alloy Structures Solidified Under Limited Diffusion Conditions / Hani Henein, Arash Ilbagi, Charles-Andř Gandin
• Coupled Growth Structures in Univariant and Invariant Eutectic Solidification / Ralph E Napolitano
• Solidification of Peritectic Alloys / Krishanu Biswas, Sumanta Samal
• Index.

Bringing together the leading international researchers in the field, this decisive reference explains the fundamentals and applications, covering all the information needed to make solids from melts with defined properties -- on earth and in space, such as on the International Space Station. The unique combination of experiments and theory gives readers a comprehensive overview of the solidification processes of metallic melts processed and undercooled containerlessly by drop tube, electromagnetic and electrostatic levitation, and in reduced gravity. The experiments are accompanied by model ca.

AJSE publishes eight issues of rigorous and original contributions in the Engineering (AJSE-Engineering), in Mathematics (AJSE-Mathematics), and in Science (AJSE-Science) disciplines, and along with a Theme / Special Issue on specific topics, previously published as separate volumes.

This paper focuses on characterization of several coolant performances in the IHTL. There are lots of choices available for the IHTL coolants; gases, liquid metals, molten salts, and etc. Traditionally, the selection of coolants is highly dependent on engineer's experience and decisions. In this decision, the following parameters are generally considered: melting point, vapor pressure, density, thermal conductivity, heat capacity, viscosity, and coolant chemistry. The followings are general thermal-hydraulic requirements for the coolant in the IHTL: (1) High heat transfer performance - The IHTL coolant should exhibit high heat transfer performance to achieve high efficiency and economics; (2) Low pumping power - The IHTL coolant requires low pumping power to improve economics through less stringent pump requirements; (3) Low amount of coolant volume - The IHTL coolant requires less coolant volume for better economics; (4) Low amount of structural materials - The IHTL coolant requires less structural material volume for better economics; (5) Low heat loss - The IHTL requires less heat loss for high efficiency; and (6) Low temperature drop - The IHTL should allow less temperature drop for high efficiency. Typically, heat transfer coolants are selected based on various fluid properties such as melting point, vapor pressure, density, thermal conductivity, heat capacity, viscosity, and coolant chemistry. However, the selection process & results are highly dependent on the engineer's personal experience and skills. In the coolant selection, if a certain coolant shows superior properties with respect to the others, the decision will be very straightforward. However, generally, each coolant material exhibits good characteristics for some properties but poor for the others. Therefore, it will be very useful to have some figures of merits (FOMs), which can represent and quantify various coolant thermal performances in the system of interest. The study summarized in this paper focuses on developing general FOMs for the IHTL coolant selection and shows some estimation results.

Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed high temperature chemical kinetic mechanism for n-octane and three lightly branched isomers octane (i.e., 2-methylheptane, 3-methylheptane, and 2,5-dimethylhexane). The model is validated against experimental data from a variety of fundamental combustion devices. This new model is used to show how the location and number of methyl branches affects fuel reactivity including laminar flame speed and species formation.

Using density functional theory calculations we show that the adsorption energies for C₂Hₓ-type adsorbates on transition metal surfaces scale with each other according to a simple bond order conservation model. This observation generalizes some recently recognized adsorption energy scaling laws for AHₓ-type adsorbates to unsaturated hydrocarbons and establishes a coherent simplified description of saturated as well as unsaturated hydrocarbons adsorbed on transition metal surfaces. A number of potential applications are discussed. We apply the model to the dehydrogenation of ethane over pure transition metal catalysts. Comparison with the corresponding full density functional theory calculations shows excellent agreement.

The field of plasmonics lies at the forefront of current revolutionary developments in optics at nanoscale dimensions, with broad applications in the fields of biology, chemistry, and engineering. Advancing these applications will require an enhanced focus on the fundamental science of plasmonics in new and exotic regimes. This 2010 Gordon Conference on Plasmonics will focus on recent advances in fundamental and applied plasmonics. As with past conferences, this meeting will bring together top researchers and future leaders for substantial interactions between students, young speakers, and senior figures in the field. Participants should expect lively discussion during the sessions, intermingled with unstructured time where ideas move, collaborations form, and connections are made. Invited talks will cover a diverse range of topics, including active devices, coherence effects, metamaterials and cloaking, quantum optical phenomena, and plasmons in exotic media and in new wavelength regimes. At the conclusion of the conference, our final session will look forward and begin defining upcoming challenges and opportunities for plasmonics.

The main focus of this paper is to identify the most desirable ranges of impurity levels in the primary coolant to optimize component life in the primary circuit of the Next Generation Nuclear Plant (NGNP), which will either be a prismatic block or pebble bed reactor.

• Note continued: 4.6. Milk Industry
• 4.6.1. Immobilization in the Milk Industry
• 4.6.2. Hydrolysis of Lactose in Milk
• 4.6.3. Antibiotic Residues in Milk
• 4.7. Miscellaneous Flavor Materials and Aroma Compounds
• 4.7.1. Biotransformation from Geraniol to Nerol
• 4.7.2. Limonin
• 4.7.3. & beta; -Ionone
• 4.7.4. Naringin
• 4.7.5. Methyl Ketone (Blue Cheese Flavor) as a Flavor Molecule from Higher Fungi
• 4.7.6. Capsaicin
• 4.7.7. Vanillin
• 4.7.8. Japanese Seasoning
• 4.8. Miscellaneous Applications
• 4.8.1. Production of Oligosaccharides
• 4.8.2. Preservatives and Bacteriocins
• 4.8.3. Xylitol Production
• 4.8.4. Carotenoids and Leucrose
• 4.8.5. cis, cis-Muconic Acid (MA)
• 4.9. Various Industrial Options
• 4.9.1. Fuel Ethanol Production
• 4.9.2. Application of Gels for Separation Matrices
• 4.9.3. Bioartificial Organs
• 4.9.4. Insect Cell Immobilization
• References
• 5. Medicinal Applications of Hydrocolloid Beads
• 5.1. Introduction
• 5.2. Encapsulation of Cells in Hydrogels
• 5.3. Stem Cells in Bead Environments
• 5.4. Charged Hydrogel Beads as New Microcarriers for Cell Culture
• 5.5. Potential Support for Endothelial Cells
• 5.6. Vaccine Delivery
• 5.7. Crosslinked Chitosan Beads: Different Medicinal Functions
• 5.8. Mucoadhesive Beads and Their Applications
• 5.8.1. General
• 5.8.2. Eyes
• 5.8.3. Alimentary System
• 5.9. Polyelectrolyte Complexes
• 5.10. Soft Tissue Regeneration
• References
• 6. Dry Bead Formation, Structure, Properties, and Applications
• 6.1. Introduction
• 6.2. General Properties of Cellular Solids
• 6.3. Manufacturing Methods for Hydrocolloid Cellular Solids
• 6.3.1. Drying Bicarbonate-Containing Gels After Acid Diffusion
• 6.3.2. Cellular Solids Produced by Fermentation
• 6.3.3. Enzymatically Produced Cellular Solids.

• Note continued: 6.3.4. Inclusion of Oil in Cellular Solids
• 6.3.5. Porosity Control in Cellular Solids
• 6.4. Structure of Cellular Solids
• 6.5. Mechanical Properties of Cellular Solids
• 6.5.1. Compression of Cellular Solids
• 6.5.2. Models for Describing Stress-Strain Behavior
• 6.5.3. Elastic Properties of Cellular Materials
• 6.5.4. Layered Cellular Solids and Compressibility of Cellular Particulates
• 6.5.5. Acoustic Properties of Cellular Solids
• 6.6. Applications of Cellular Solids
• 6.6.1. Hydrocolloid Cellular Solids as a Carrier for Vitamins
• 6.6.2. Dried Gel Beads as Study Models and for Separation
• 6.6.3. Special Dry Beads for Water Treatment
• 6.6.4. Matrices Entrapping Hydrocolloid Cellular Beads
• 6.7. Hydrocolloid Cellular Carriers for Agricultural Uses
• 6.7.1. General
• 6.7.2. Preservation of Biocontrol Agents in a Viable Form by Dry Cellular Bead Carriers
• 6.7.3. Dry Carriers' Capacity to Protect Biocontrol Agents Against UV Light
• 6.7.4. Textural Features of Dried Hydrocolloid Beads
• References
• 7. Liquid-Core Beads and Their Applications in Food, Biotechnology, and Other Fields
• 7.1. Introduction
• 7.2. General
• 7.3. Soft Gelatin Capsules
• 7.4. Liquid-Core Capsules
• 7.4.1. Liquid-Core Hydrocolloid Capsules
• 7.4.2. Synthetic and Additional Liquid-Core Capsules
• 7.5. Oil-Core Hydrocolloid Capsules
• 7.6. Biotechnological Applications of Liquid-Core Capsules
• 7.6.1. Growth of Microorganisms in Liquid-Core Capsules
• 7.6.2. Activity of Enzymes Within Liquid-Core Capsules
• 7.7. Special Food Applications
• 7.7.1. Jelly-Like Foods
• 7.7.2. Fruit Products
• 7.7.3. Encapsulating Aroma and Health Compounds
• 7.7.4. Other Foods
• 7.8. Agricultural Uses of Liquid-Core Capsules
• 7.9. Environmental Uses of Liquid-Core Capsules.

• Note continued: 7.10. Special Applications of Liquid-Core Capsules
• 7.10.1. Stop-Smoking Aids
• 7.10.2. Beauty Industry -- Removal of Body Hair
• 7.10.3. Paper Industry
• References
• 8. Beads as Drug Carriers
• 8.1. Introduction
• 8.2. Controlled Drug Release
• 8.3. Gels in Drug-Delivery Systems
• 8.4. Dual Drug-Loaded Beads
• 8.5. Drug Release from Beads
• 8.5.1. Albumin Beads
• 8.5.2. Alginate Beads
• 8.5.3. Chitosan Beads
• 8.5.4. Gelatin
• 8.5.5. Modified Starch Microspheres
• 8.5.6. Dextran Beads
• 8.5.7. Cellulose Hydrogels
• 8.5.8. Gellan Beads
• 8.5.9. Guar Beads
• 8.5.10. Pectin
• 8.5.11. Modified Poly(Vinyl Alcohol) Microspheres
• 8.5.12. Biodegradable Hydrogels Based on Polyesters
• 8.5.13. Hydrogels with Degradable Crosslinking Agents
• 8.5.14. Floating Beads
• 8.5.15. Xyloglucan Beads
• References
• 9. Beads and Special Applications of Polymers for Agricultural Uses
• 9.1. Introduction
• 9.2. Immobilization of Plant Cell Suspensions and Single Seeds
• 9.3. Carriers for Slow Release of Bacteria that Affect Plant Growth
• 9.4. Inoculation of Seedlings and Plants with Beads Containing Fungal Inoculum
• 9.5. Joint Immobilization of Plant Growth-Promoting Bacteria and Green Microalgae
• 9.6. Cryopreservation by Encapsulation/Dehydration Technique
• 9.7. Controlled Release of Agricultural Chemicals
• 9.8. Biotechnological Applications
• 9.8.1. General
• 9.8.2. Gene-Delivery Systems Using Beads
• 9.8.3. Bioactive Bead Method for Obtaining Transgenic Plants
• 9.8.4. Synthetic Seed Technology
• 9.9. Unique Applications of Polymers
• 9.9.1. Superabsorbent Polymers
• 9.9.2. Seed Coating
• References
• 10. Beads for Environmental Applications
• 10.1. Introduction
• 10.2. Water Treatments
• 10.2.1. General.

• Note continued: 10.2.2. Wastewater Treatment by Anaerobic Fixed Bed Reactor
• 10.2.3. Wastewater Treatment Using Immobilized Microorganisms
• 10.2.4. Arsenic Removal from Water
• 10.2.5. Chitosan and Removal of Heavy Metal Ions
• 10.2.6. Water Denitrification
• 10.2.7. Anaerobic Ammonium Oxidation
• 10.3. Soil Treatments
• 10.3.1. General
• 10.3.2. Agrochemicals
• 10.3.3. Controlled Release of Pesticides into Soils
• 10.3.4. Sustained Release of a Fungicide
• 10.4. Air Pollution
• 10.4.1. General
• 10.4.2. Sampling Air
• 10.4.3. Determination of Trace Contaminants in Air by Concentration on Porous Polymer Beads
• 10.5. Miscellaneous
• 10.5.1. Biodegradation
• 10.5.2. Carbon Nanotubes
• 10.5.3. Removal by Microalgae
• References.

Although the use of water-soluble polymer beads is on the rise in many fields, the literature offers only scattered chapters in a handful of books on the topic. Polymer Macro- and Micro-Gel Beads: Fundamentals and Applications fills this void. It covers both the properties and traditional and novel applications of polymeric beads, making it a crucial addition to the literature. This book describes numerous methods of bead production, as well as the techniques used to modify them and to estimate their physical and chemical properties. A full description of past and present developments and applications of beads in the fields of agriculture, biotechnology, environmental studies, medicine, pharmacology, and food are presented. Amos Nussinovitch is a Professor of Food Science and Technology at The Robert H. Smith Faculty of Agriculture, Food and Environment, The Hebrew University of Jerusalem. He is an internationally recognized expert on hydrocolloid applications and works in the areas of structure and texture of wet and dry beads, liquid-core capsules, different polymeric beads for water denitrification and beads as part of novel cellular solids, among many other applications.

In the United States, the Department of Energy (DOE) is transforming its outdated and oversized complex of aging nuclear material facilities into a smaller, safer, and more secure National Security Enterprise (NSE). Environmental concerns, worker health and safety risks, material security, reducing the role of nuclear weapons in our national security strategy while maintaining the capability for an effective nuclear deterrence by the United States, are influencing this transformation. As part of the nation's Uranium Center of Excellence (UCE), the Uranium Processing Facility (UPF) at the Y-12 National Security Complex in Oak Ridge, Tennessee, will advance the U.S.'s capability to meet all concerns when processing uranium and is located adjacent to the Highly Enriched Uranium Materials Facility (HEUMF), designed for consolidated storage of enriched uranium. The HEUMF became operational in March 2010, and the UPF is currently entering its final design phase. The designs of both facilities are for meeting anticipated security challenges for the 21st century. For plutonium research, development, and manufacturing, the Chemistry and Metallurgy Research Replacement (CMRR) building at the Los Alamos National Laboratory (LANL) in Los Alamos, New Mexico is now under construction. The first phase of the CMRR Project is the design and construction of a Radiological Laboratory/Utility/Office Building. The second phase consists of the design and construction of the Nuclear Facility (NF). The National Nuclear Security Administration (NNSA) selected these two sites as part of the national plan to consolidate nuclear materials, provide for nuclear deterrence, and nonproliferation mission requirements. This work examines these two projects independent approaches to design requirements, and objectives for safeguards, security, and safety (3S) systems as well as the subsequent construction of these modern processing facilities. Emphasis is on the use of Safeguards-by-Design (SBD), incorporating Systems Engineering (SE) principles for these two projects.

The Engineering Analysis work package accomplished a number of activities in FY2010 that will help to inform Licensing, R&D, and detailed design activities that will be performed during the preliminary design phase in Phase 2 of the NGNP Project. These activities were in the following areas: • Fission Product Transport • DDN Update and Consolidation • Gas Reactor Lessons Learned Review • Reactor Coolant Chemistry Control • Resilient Control Systems for High Temperature Gas-cooled Reactors • Water-ingress Analysis In total, the efforts associated with the Engineering Analysis work package accomplished four (4) Level 2 milestones and two (2) internal (Level 4) milestones. Details of the activities and milestones are included in the attached report.

Engineered nanomaterials enhance exciting new applications that can greatly benefit society in areas of cancer treatments, solar energy, energy storage, and water purification. While nanotechnology shows incredible promise in these and other areas by exploiting nanomaterials unique properties, these same properties can potentially cause adverse health effects to workers who may be exposed during work. Dispersed nanoparticles in air can cause adverse health effects to animals not merely due to their chemical properties but due to their size, structure, shape, surface chemistry, solubility, carcinogenicity, reproductive toxicity, mutagenicity, dermal toxicity, and parent material toxicity. Nanoparticles have a greater likelihood of lung deposition and blood absorption than larger particles due to their size. Nanomaterials can also pose physical hazards due to their unusually high reactivity, which makes them useful as catalysts, but has the potential to cause fires and explosions. Characterization of the hazards (and potential for exposures) associated with nanomaterial development and incorporation in other products is an essential step in the development of nanotechnologies. Developing controls for these hazards are equally important. Engineered controls should be integrated into nanomaterial manufacturing process design according to 10CFR851, DOE Policy 456.1, and DOE Notice 456.1 as safety-related hardware or administrative controls for worker safety. Nanomaterial hazards in a nuclear facility must also meet control requirements per DOE standards 3009, 1189, and 1186. Integration of safe designs into manufacturing processes for new applications concurrent with the developing technology is essential for worker safety. This paper presents a discussion of nanotechnology, nanomaterial properties/hazards and controls.

The purpose of this whitepaper is to provide a framework for understanding the role that Verification and Validation (V&V), Uncertainty Quantification (UQ) and Risk Quantification, collectively referred to as VU, is expected to play in modeling nuclear energy systems. We first provide background for the modeling of nuclear energy based systems. We then provide a brief discussion that emphasizes the critical elements of V&V as applied to nuclear energy systems but is general enough to cover a broad spectrum of scientific and engineering disciplines that include but are not limited to astrophysics, chemistry, physics, geology, hydrology, chemical engineering, mechanical engineering, civil engineering, electrical engineering, nu nuclear engineering material clear science science, etc. Finally, we discuss the critical issues and challenges that must be faced in the development of a viable and sustainable VU program in support of modeling nuclear energy systems.

The research sponsored by this project has greatly expanded the ASSET corrosion prediction software system to produce a world-class technology to assess and predict engineering corrosion of metals and alloys corroding by exposure to hot gases. The effort included corrosion data compilation from numerous industrial sources and data generation at Shell Oak Ridge National Laboratory and several other companies for selected conditions. These data were organized into groupings representing various combinations of commercially available alloys and corrosion by various mechanisms after acceptance via a critical screening process to ensure the data were for alloys and conditions, which were adequately well defined, and of sufficient repeatability. ASSET is the largest and most capable, publicly-available technology in the field of corrosion assessment and prediction for alloys corroding by high temperature processes in chemical plants, hydrogen production, energy conversion processes, petroleum refining, power generation, fuels production and pulp/paper processes. The problems addressed by ASSET are: determination of the likely dominant corrosion mechanism based upon information available to the chemical engineers designing and/or operating various processes and prediction of engineering metal losses and lifetimes of commercial alloys used to build structural components. These assessments consider exposure conditions (metal temperatures, gas compositions and pressures), alloy compositions and exposure times. Results of the assessments are determination of the likely dominant corrosion mechanism and prediction of the loss of metal/alloy thickness as a function of time, temperature, gas composition and gas pressure. The uses of these corrosion mechanism assessments and metal loss predictions are that the degradation of processing equipment can be managed for the first time in a way which supports efforts to reduce energy consumption, ensure structural integrity of equipment with the goals to avoid premature failure, to quantitatively manage corrosion over the entire life of high temperature process equipment, to select alloys for equipment and to assist in equipment maintenance programs. ASSET software operates on typical Windows-based (Trademark of Microsoft Corporation) personal computers using operating systems such as Windows 2000, Windows NT and Vista. The software is user friendly and contains the background information needed to make productive use of the software in various help-screens in the ASSET software. A graduate from a university-level curriculum producing a B.S. in mechanical/chemical/materials science/engineering, chemistry or physics typically possesses the background required to make appropriate use of ASSET technology. A training/orientation workshop, which requires about 3 hours of class time was developed and has been provided multiple times to various user groups of ASSET technology. Approximately 100 persons have been trained in use of the technology. ASSET technology is available to about 65 companies representing industries in petroleum/gas production and processing, metals/alloys production, power generation, and equipment design.

Structural materials in Gen-IV nuclear reactors will face severe conditions of high operating temperatures, high neutron flux exposure, and corrosive environment. Radiation effects and corrosion and chemical compatibility issues are factors that will limit the materials lifetime. Low-chromium (9-12 Cr wt.%) ferritic martensitic (F/M) steels are being considered as possible candidates because they offer good swelling resistance and good mechanical properties under extreme conditions of radiation dose and irradiation temperature. The surface chemistry of FeCr alloys, responsible for the corrosion properties, is complex. It exists today a controversy between equilibrium thermodynamic calculations, which suggest Cr depletion at the surface driven by the higher surface energy of Cr, and experimental data which suggest the oxidation process occurs in two stages, first forming a Fe-rich oxide, followed by a duplex oxide layer, and ending with a Cr-rich oxide. Moreover, it has been shown experimentally that corrosion resistance of F/M steels depends significantly on Cr content, increasing with increasing Cr content and with a threshold around 10% Cr, below which, the alloy behaves as pure Fe. In an attempt to rationalize these two contradicting observations and to understand the physical mechanism behind corrosion resistance in these materials we perform atomistic simulations using our FeCr empirical potential and analyze Cr equilibrium distributions at different compositions and temperatures in single and polycrystalline samples. We analyze the controversy in terms of thermodynamic and kinetic considerations.

This is the Final Report for LDRD 04-ERD-086, 'Electro-Thermal-Mechanical Simulation Capability'. The accomplishments are well documented in five peer-reviewed publications and six conference presentations and hence will not be detailed here. The purpose of this LDRD was to research and develop numerical algorithms for three-dimensional (3D) Electro-Thermal-Mechanical simulations. LLNL has long been a world leader in the area of computational mechanics, and recently several mechanics codes have become 'multiphysics' codes with the addition of fluid dynamics, heat transfer, and chemistry. However, these multiphysics codes do not incorporate the electromagnetics that is required for a coupled Electro-Thermal-Mechanical (ETM) simulation. There are numerous applications for an ETM simulation capability, such as explosively-driven magnetic flux compressors, electromagnetic launchers, inductive heating and mixing of metals, and MEMS. A robust ETM simulation capability will enable LLNL physicists and engineers to better support current DOE programs, and will prepare LLNL for some very exciting long-term DoD opportunities. We define a coupled Electro-Thermal-Mechanical (ETM) simulation as a simulation that solves, in a self-consistent manner, the equations of electromagnetics (primarily statics and diffusion), heat transfer (primarily conduction), and non-linear mechanics (elastic-plastic deformation, and contact with friction). There is no existing parallel 3D code for simulating ETM systems at LLNL or elsewhere. While there are numerous magnetohydrodynamic codes, these codes are designed for astrophysics, magnetic fusion energy, laser-plasma interaction, etc. and do not attempt to accurately model electromagnetically driven solid mechanics. This project responds to the Engineering R&D Focus Areas of Simulation and Energy Manipulation, and addresses the specific problem of Electro-Thermal-Mechanical simulation for design and analysis of energy manipulation systems such as magnetic flux compression generators and railguns. This project compliments ongoing DNT projects that have an experimental emphasis. Our research efforts have been encapsulated in the Diablo and ALE3D simulation codes. This new ETM capability already has both internal and external users, and has spawned additional research in plasma railgun technology. By developing this capability Engineering has become a world-leader in ETM design, analysis, and simulation. This research has positioned LLNL to be able to compete for new business opportunities with the DoD in the area of railgun design. We currently have a three-year $1.5M project with the Office of Naval Research to apply our ETM simulation capability to railgun bore life issues and we expect to be a key player in the railgun community.

Short-pulse ultraviolet and x-ray free electron lasers of unprecedented peak brightness are in the process of revolutionizing physics, chemistry, and biology. Optical components for these new light sources have to be able to withstand exposure to the extremely high-fluence photon pulses. Whereas most optics have been designed to stay intact for many pulses, it has also been suggested that single-pulse optics that function during the pulse but disintegrate on a longer timescale, may be useful at higher fluences than multiple-pulse optics. In this paper we will review damage-resistant single-pulse optics that recently have been demonstrated at the FLASH soft-x-ray laser facility at DESY, including mirrors, apertures, and nanolenses. It was found that these objects stay intact for the duration of the 25-fs FLASH pulse, even when exposed to fluences that exceed the melt damage threshold by fifty times or more. We present a computational model for the FLASH laser-material interaction to analyze the extent to which the optics still function during the pulse. Comparison to experimental results obtained at FLASH shows good quantitative agreement.

This project focuses on the characterization of a new class of solvent systems called gas-expanded liquids (GXLs), targeted for green-chemistry processing. The collaboration has adopted a synergistic approach combining elements of molecular dynamics (MD) simulation and spectroscopic experiments to explore the local solvent behavior that could not be studied by simulation or experiment alone. The major accomplishments from this project are: • Applied MD simulations to explore the non-uniform structure of CO2/methanol and CO2/acetone GXLs and studied their dynamic behavior with self-diffusion coefficients and correlation functions • Studied local solvent structure and solvation behavior with a combination of spectroscopy and MD simulations • Measured transport properties of heterocyclic solutes in GXLs through Taylor-Aris diffusion techniques and compared these findings to those of MD simulations • Probed local polarity and specific solute-solvent interactions with Diels-Alder and SN2 reaction studies The broader scientific impact resulting from the research activities of this contract have been recognized by two recent awards: the Presidential Green Chemistry Award (Eckert & Liotta) and a fellowship in the American Association for the Advancement of Science (Hernandez). In addition to the technical aspects of this contract, the investigators have been engaged in a number of programs extending the broader impacts of this project. The project has directly supported the development of two postdoctoral researcher, four graduate students, and five undergraduate students. Several of the undergraduate students were co-funded by a Georgia Tech program, the Presidential Undergraduate Research Award. The other student, an African-American female graduated from Georgia Tech in December 2005, and was co-funded through an NSF Research and Education for Undergraduates (REU) award.

Fluidized beds (FB) reactors are widely used in the polymerization industry due to their superior heat- and mass-transfer characteristics. Nevertheless, problems associated with local overheating of polymer particles and excessive agglomeration leading to FB reactors defluidization still persist and limit the range of operating temperatures that can be safely achieved in plant-scale reactors. Many people have been worked on the modeling of FB polymerization reactors, and quite a few models are available in the open literature, such as the well-mixed model developed by McAuley, Talbot, and Harris (1994), the constant bubble size model (Choi and Ray, 1985) and the heterogeneous three phase model (Fernandes and Lona, 2002). Most these research works focus on the kinetic aspects, but from industrial viewpoint, the behavior of FB reactors should be modeled by considering the particle and fluid dynamics in the reactor. Computational fluid dynamics (CFD) is a powerful tool for understanding the effect of fluid dynamics on chemical reactor performance. For single-phase flows, CFD models for turbulent reacting flows are now well understood and routinely applied to investigate complex flows with detailed chemistry. For multiphase flows, the state-of-the-art in CFD models is changing rapidly and it is now possible to predict reasonably well the flow characteristics of gas-solid FB reactors with mono-dispersed, non-cohesive solids. This thesis is organized into seven chapters. In Chapter 2, an overview of fluidized bed polymerization reactors is given, and a simplified two-site kinetic mechanism are discussed. Some basic theories used in our work are given in detail in Chapter 3. First, the governing equations and other constitutive equations for the multi-fluid model are summarized, and the kinetic theory for describing the solid stress tensor is discussed. The detailed derivation of DQMOM for the population balance equation is given as the second section. In this section, monovariate population balance, bivariate population balance, aggregation and breakage equation and DQMOM-Multi-Fluid model are described. In the last section of Chapter 3, numerical methods involved in the multi-fluid model and time-splitting method are presented. Chapter 4 is based on a paper about application of DQMOM to polydisperse gas-solid fluidized beds. Results for a constant aggregation and breakage kernel and a kernel developed from kinetic theory are shown. The effect of the aggregation success factor and the fragment distribution function are investigated. Chapter 5 shows the work on validation of mixing and segregation phenomena in gas-solid fluidized beds with a binary mixture or a continuous size distribution. The simulation results are compared with available experiment data and discrete-particle simulation. Chapter 6 presents the project with Univation Technologies on CFD simulation of a Polyethylene pilot-scale FB reactor, The fluid dynamics, mass/heat transfer and particle size distribution are investigated through CFD simulation and validated with available experimental data. The conclusions of this study and future work are discussed in Chapter 7.

A database storage, search and retrieval method of constitutive model responses for use in plasticity simulations is developed to increase the computational efficiency of finite element simulations employing complex non-linear material models. The method is based in the in situ adaptive tabulation method that has been successfully applied in the field of combustion chemistry, but is significantly modified to better handle the system of equations in plasticity. When using the database, the material response is estimated by a linear extrapolation from an appropriate database entry. This is shown to provide a response with an acceptable error tolerance. Two different example problems are chosen to demonstrate the behavior of the constitutive model estimation technique: a dynamic shock simulation, and a quasi-static inhomogeneous deformation simulation. This generalized in situ adaptive tabulation method shows promise for enabling simulations with complex multi-physics and multi-length scale constitutive descriptions.

No abstract prepared.

• I Introduction.- The Importance of Catalysis in the Chemical and Non-Chemical Industries.- II Selected Reactions in Heterogeneous Catalysis.- Partial Oxidation of C2 to C4 Paraffins.- Selective Hydrogenation of Multiply-Unsaturated Hydrocarbon Compounds.- Catalytic Reforming.- The Application of Zeolites in Catalysis.- III Preparation, Functionality and Characterization of Heterogeneous Catalysts.- Catalyst Preparation.- Tools for High-Throughput Experimentation in the Development of Heterogeneous Catalysts.- Ordered Mesoporous Materials: Preparation and Application in Catalysis.- In-situ-Characterization of Practical Heterogeneous Catalysts.- IV Homogeneous Catalysis, Polymerization Catalysis and Biocatalysis.- Homogeneous Catalysis.- Polymerization Catalysis.- Biocatalysis.- V Catalytic Reaction Engineering.- Kinetics of Heterogeneous Catalytic Reactions.- Catalyst Deactivation.- Divided Catalytic Processes.- Structured Catalysts and Micro-Structured Reactors.
• (source: Nielsen Book Data)

Written by a team of internationally recognized experts, this book addresses the most important types of catalytic reactions and catalysts as used in industrial practice. Both applied aspects and the essential scientific principles are described. The main topics can be summarized as follows: heterogeneous, homogeneous and biocatalysis, catalyst preparation and characterization, catalytic reaction engineering and kinetics, catalyst deactivation and industrial perspective.
(source: Nielsen Book Data)

• 1 The Electron: A Primadonna in Chemical Bonding.- 2 Fundamentals of Quantum Mechanics: A Prerequisite for Understanding the Chemical Bond.- 3 One-Electron Atoms: The Fundamental System.- 4 Multi-Electron Atoms: The Building Blocks that Produce the Tremendous Variety of Molecules.- 5 Born-Oppenheimer Approximation: Separation of Electronic Motion from Nuclear Motion in Chemical Bonding.- 6 The Hydrogen Molecular Ion: The Simplest, but the Most Fundamental System for Understanding Chemical Bonds.- 7 The Hydrogen Molecule: Why are Two Neutral Hydrogen Atoms Stabilized by Simply Approaching Each Other?.- 8 Polyatomic Molecules: Towards an Understanding of Chemical Bonds in Polyatomic Molecules.- References.
• (source: Nielsen Book Data)

Providing the quantum-mechanical foundations of chemical bonding, this unique textbook emphasizes key concepts such as superposition, degeneracy of states and the role of the electron spin. An initial, concise and compact presentation of the rudiments of quantum mechanics enables readers to progress through the book with a firm grounding. Experimental examples are included to illustrate how the abstract concepts are manifest in real systems.
(source: Nielsen Book Data)

Gadolinium calcium oxoborate (GdCOB) is a nonlinear optical material that belongs to the calcium--rare-earth (R) oxoborate family, with general composition Ca₄RO(BO₃)₃ (R{sup 3+} = La, Sm, Gd, Lu, Y). X-ray photoemission was applied to study the valence band electronic structure and surface chemistry of this material. High resolution photoemission measurements on the valence band electronic structure and Gd 3d and 4d, Ca 2p, B 1s and O 1s core lines were used to evaluate the surface and near surface chemistry. These results provide measurements of the valence band electronic structure and surface chemistry of this rare-earth oxoborate.

This document presents the underlying theory for an unsteady computational model of the transient aerothermodynamics of a deformable vehicle entering an atmosphere at hypersonic speeds. Many unique features of the problem require unusual computational capabilities. The large accelerations associated with the vehicle's flight dynamics results in the body-fixed reference frame being non-inertial, and the governing equations must be modified to include this effect. The vehicle's structural deformations and ablation requires the inclusion of the effects of a moving solid boundary, with a nonuniform mass flux across that boundary. A computational chemistry capability must be included to treat the thermochemical nonequilibrium of the high-temperature gas dynamics, and the reactions between the ablation products and the dissociated air. The theory required to treat these phenomena are described in this report.

Multi-disciplinary analysis is becoming more and more important to tackle todays complex engineering problems. Therefore, computational tools must be able to handle the complex multi-physics requirements of these problems. A computer code may need to handle the physics associated with fluid dynamics, structural mechanics, heat transfer, chemistry, electro-magnetics, or a variety of other disciplines--all coupled in a highly non-linear system. The objective of this project was to couple an incompressible fluid dynamics package to a solid mechanics code. The code uses finite-element methods and is useful for three-dimensional transient problems with fluid-structure interaction. The code is designed for efficient performance on large multi-processor machines. An ALE finite element method was developed to investigate fluid-structure interaction. The write-up contains information about the method, the problem formulation, and some results from example test problems.

A wavelet-neural network signal processing method has demonstrated approximately tenfold improvement in the detection limit of various nitrogen and phosphorus compounds over traditional signal-processing methods in analyzing the output of a thermionic detector attached to the output of a gas chromatograph. A blind test was conducted to validate the lower detection limit. All fourteen of the compound spikes were detected when above the estimated threshold, including all three within a factor of two above. In addition, two of six were detected at levels 1/2 the concentration of the nominal threshold. We would have had another two correct hits if we had allowed human intervention to examine the processed data. One apparent false positive in five nulls was traced to a solvent impurity, whose presence was identified by running a solvent aliquot evaporated to 1% residual volume, while the other four nulls were properly classified. We view this signal processing method as broadly applicable in analytical chemistry, and we advocate that advanced signal processing methods be applied as directly as possible to the raw detector output so that less discriminating preprocessing and post-processing does not throw away valuable signal.

• 1 Basic Compressor Aero-Thermodynamics.- 2 Thermodynamics of Real Gases.- 3 Aero Components - Function and Features.- 4 Compressor Design Constraints.- 5 Compressor Off-Design Operation.- 6 Aerodynamic Compressor Design: Case Study.- 7 Application Examples.- 8 Improving Efficiency and Operating Range.- 9 Rerate of Process Centrifugal Compressors.- 10 Standardization of Compressor Components.- Unit Equations.- English-German Glossary on Compressors.
• (source: Nielsen Book Data)

Originating in the process compressor industry, this text primarily addresses: rotating equipment engineers, project engineers, engineering contractors, and compressor user companies in oil and gas field operations, natural gas processing, petroleum refining, petrochemical processing, industrial refrigeration, and chemical industries. It enables the reader to assess compressors and defines the constraints influencing the compressor design.
(source: Nielsen Book Data)

Presented here is a working methodology for adapting a Lawrence Livermore National Laboratory (LLNL) developed hydrocode, ALE3D, to simulate weapon damage effects when afterburn is a consideration in the blast propagation. Experiments have shown that afterburn is of great consequence in enclosed environments (i.e. bomb in tunnel scenario, penetrating conventional munition in a bunker, or satchel charge placed in a deep underground facility). This empirical energy deposition methodology simulates the anticipated addition of kinetic energy that has been demonstrated by experiment (Kuhl, et. al. 1998), without explicitly solving the chemistry, or resolving the mesh to capture small-scale vorticity. This effort is intended to complement the existing capability of either coupling ALE3D blast simulations with DYNA3D or performing fully coupled ALE3D simulations to predict building or component failure, for applications in National Security offensive strike planning as well as Homeland Defense infrastructure protection.

• Earth Sciences
• High-Resolution Studies of Transport Processes in the Atmospheric Boundary Layer Using the Synergy of Large Eddy Simulation and Measurements of Advanced Lidar Systems
• High Resolution Climate Change Simulation for Central Europe
• Water on Mars
• Viscosity Stratification and a 3-D Compressible Spherical Shell Model of Mantle Evolution
• Physics
• Collisional Dynamics of Black Holes, Star Clusters and Galactic Nuclei
• Formation and Propagation of Jets Around Compact Objects
• Large Scale Simulations of Jets in Dense and Magnetised Environments
• Crack Propagation in Icosahedral Model Quasicrystals
• Structure and Spectrum of Poly-Porphyrin
• How Do Droplets Depend on the System Size? Droplet Condensation and Nucleation in Small Simulation Cells
• Solid State Physics
• Numerical Studies of Collective Effects in Nano-Systems
• Gas-Phase Epitaxy Grown InP(001) Surfaces From Real-Space Finite-Difference Calculations
• Amorphous Silica at Surfaces and Interfaces: Simulation Studies
• Quantum Monte-Carlo Simulations of Correlated Bosonic and Fermionic Systems
• Ab initio Simulation of Clusters: Modeling the Deposition Dynamics and the Catalytic Properties of PdN on MgO Surface F-Centers
• Reactive Flows
• DNS of Turbulent Premixed CO/H2/Air Flames
• Transition from Stationary to Rotating Bound States of Dissipative Solitons
• Computational Fluid Dynamics
• Investigation of the Flow Randomization Process in a Transitional Boundary Layer
• Numerical Simulation of 3D Unsteady Heat Transfer at Strongly Deformed Droplets at High Reynolds Numbers
• 3D Simulations of Supersonic Chemically Reacting Flows
• Numerical Investigation of Semi-Turbulent Pipe Flow
• Numerical Simulation of Forced Breakup of a Liquid Jet
• The Effect of Impinging Wakes on the Boundary Layer of a Thin-Shaped Turbine Blade
• Numerical High Lift Research II
• Prediction of the Model Deformation of a High Speed Transport Aircraft Type Wing by Direct Aeroelastic Simulation
• Rayleigh-Bénard Convection at Large Aspect Ratios
• Chemistry
• Quantum Chemical Calculations of Transition Metal Complexes
• Quantum Mechanical Studies of Boron Clustering in Silicon
• Protonation States of Methionine Aminopeptidase Studied by QM/MM Car-Parrinello Molecular Dynamics Simulations
• Molecular Transport Through Single Molecules
• Computer Science
• Towards a Holistic Understanding of the Human Genome by Determination and Integration of Its Sequential and Three-Dimensional Organization
• Efficient and Object-Oriented Libraries for Particle Simulations
• SKaMPI
• Including More Complex Communication Patterns
• Performance Analysis Using the PARbench Benchmark System.

This book presents the state of the art in modeling and simulation on supercomputers. Leading German research groups present their results achieved on high-end systems of the High Performance Computing Center Stuttgart (HLRS) for the year 2003. The reports cover all fields of computational science and engineering ranging from computational fluid dynamics via computational physics and chemistry to computer science. Special emphasis is given to industrially relevant applications. Presenting results for both vector-systems and micro-processor based systems, the book allows the reader to compare performance levels and usability of a variety of supercomputer architectures. In the light of the success of the Japanese Earth-Simulator, this book may serve as a guide book for a US response. The book covers the main methods in high performance computing. Its outstanding results in achieving highest performance for production codes are of particular interest for both the scientist and the engineer. The book comes with a wealth of color illustrations and tables of results.

• I High Performance Systems
• TeraFlops Computing with the Hitachi SR8000-F1: From Vision to Reality
• II Computational Fluid Dynamics
• Numerical Prediction of Deformations and Oscillations of Wind-Exposed Structures
• Large-Eddy and Detached-Eddy Simulation of the Flow Around High-Lift Configurations
• Direct Simulation with the Lattice Boltzmann Code BEST of Developed Turbulence in Channel Flows
• DNS of Homogeneous Shear Flow and Data Analysis for the Development of a Four-Equation Turbulence Model
• Large-Eddy Simulations of High Reynolds Number Flow Around a Circular Cylinder
• Numerical Simulation of Passively Controlled Turbulent Flows over Sharp
• Edged and Smoothly Contoured Backward
• Facing Steps
• Parallel Single- and Multiphase CFD-Applications Using Lattice Boltzmann Methods
• Models of Type Ia Supernova Explosions
• Direct Numerical Simulation of Boundary Layer Separation along a Curved Wall with Oscillating Oncoming Flow
• III Biosciences
• QM/MM Study of Rhodopsin
• Simulation of Neuronal Map Formation in the Primary Visual Cortex
• IV Chemistry
• A User-Oriented Set of Quantum Chemical Benchmarks
• Structure, Energetics, and Spectroscopy of Models for Enzyme Cofactors
• Ruthenium Dioxide, a Versatile Oxidation Catalyst: First Principles Analysis
• Theoretical Studies of Structures of Vanadate Complexes in Aqueous Solution
• V Solid-State Physics
• Large Scale Car-Parrinello Simulation of Fully Hydrated DNA
• Metal-Insulator Transitions and Realistic Modelling of Correlated Electron Systems
• Monte Carlo Studies of Three-Dimensional Bond-Diluted Ferromagnets
• Microwave Ionisation of Non-Hydrogenic Alkali Rydberg States
• Density-Functional Calculation and Inelastic Neutron Scattering of Structural and Dynamical Properties in Fluoride Crystals
• Optical Response of Semiconductor Surfaces and Molecules Calculated from First Principles
• Phase Fluctuations and the Role of Electron Phonon Coupling in High-TcSuperconductors
• The Cluster-Perturbation-Theory and its Application to Strongly-Correlated Materials
• Object-Oriented C++ Class Library for Many Body Physics on Finite Lattices and a First Application to High-Temperature Superconductivity
• From Fermi Liquid to Non-Fermi Liquid Physics
• Influence of Non-Local Fluctuations in Low-Dimensional Fermion Systems
• One-Dimensional Electron-Phonon Systems: Mott- Versus Peierls-Insulators
• VI Geophysics
• 3-D Seismic Wave Propagation on a Global and Regional Scale: Earthquakes, Fault Zones, Volcanoes
• VII Fundamental Physics
• Simulation of QCD with Dynamical Quarks
• Quantum Chromodynamics with Chiral Quarks
• Three-Nucleon Force in the4He Scattering System
• Simulations of the Local Universe
• The Free Electron Maser in Pulsar Magnetospheres
• VIII Computer Science
• Pseudo-Vectorization and RISC Optimization Techniques for the Hitachi SR8000 Architecture
• Automatic Performance Analysis on Hitachi SR8000
• Adapting PAxML to the Hitachi SR8000-F1 Supercomputer
• Load Balancing for Spatial-Grid-Based Parallel Numeric Simulations on Clusters of SMPs
• A Case Study from an Industrial CFD Simulation
• Scientific Progress in the Par-EXPDE-Project
• gridlib
• A Parallel, Object-Oriented Framework for Hierarchical-Hybrid Grid Structures in Technical Simulation and Scientific Visualization.

This volume presents a selection of reports from scientific projects requiring high end computing resources on the Hitachi SR8000-F1 supercomputer operated by Leibniz Computing Center in Munich. All reports were presented at the joint HLRB and KONWHIR workshop at the Technical University of Munich in October 2002. The following areas of scientific research are covered: Applied Mathematics, Biosciences, Chemistry, Computational Fluid Dynamics, Cosmology, Geosciences, High-Energy Physics, Informatics, Nuclear Physics, Solid-State Physics. Moreover, projects from interdisciplinary research within the KONWIHR framework (Competence Network for Scientific High Performance Computing in Bavaria) are also included. Each report summarizes its scientific background and discusses the results with special consideration of the quantity and quality of Hitachi SR8000 resources needed to complete the research.

• Periodic Table of the Elements
• Basic Physical Properties of Chemical Compounds
• Physical Constants of Inorganic Compounds
• Calculated Vapor Pressures of Organic Compounds
• Heat Capacity of Organic Compounds in Gas Phase
• Enthalpy & Entropy of Formation of Organic Compounds in Gas Phase
• Thermodynamics and Statistical Mechanics
• Basic Physical Properties of Common Solvents
• Tensile Properties of Carbon Steel as a Function of Hardness
• Safety Properties of Common Solvents
• Consequence Analysis
• Creep Strain vs. Time
• Stress vs. Time
• Stress vs. Time to Rupture
• Overview of Airborne Radar
• Basic Concepts
• Interactive Table
• Design Mechanical Properties of Aerospace Alloys
• Interactive Graphs
• Temperature Effect on Mechanical Properties of Aerospace Alloys
• Titanium
• Ag-Al (Silver-Aluminum)
• Speed of Sound vs. Temperature
• SI Units
• Speed of Sound vs. Temperature
• English Units.

This title contains a sample of scientific and technical content available on Knovel. It showcases the range of this content and the benefits of Knovel's productivity tools, such as Graph Digitizer. Use this free title to browse, search (in advanced and basic modes) and practice the use of productivity tools.

In this work, ITN Energy Systems (ITN) and lower-tier subcontractor Colorado School of Mines (CSM) explore the replacement of the molecular chalcogen precursors during deposition (e.g., Se2 or H2Se) with more reactive chalcogen monomers or radicals (e.g., Se). Molecular species will be converted to atomic species in a low-pressure inductively coupled plasma. The non-equilibrium environment created by the plasma will allow control over the S/Se ratio in these films. Tasks of the proposed program center on developing and validating monoatomic chalcogen chemistry, tuning of low-pressure monomer chalcogen sources, and evaluating plasma-assisted coevaporation (PACE) for CIGS coevaporation. Likely advantages of deposition by plasma-enhanced coevaporation include: (a)provides potential for lower deposition temperature and/or for better film quality at higher deposition temperature; (b) provide potential for decreased deposition times; (c) provides high material utilization efficiency (≈90%) that results in less deposition on other parts of the reactor, leading to lower clean-up and maintenance costs, as well as longer equipment lifetime; (d) high material utilization efficiency also reduces the total operating pressure, which is beneficial for the design and control of metal coevaporation (advantages include minimal metal-vapor beam spread and lower source operating temperatures); (e) enables deposition of wide-bandgap copper indium gallium sulfur-selenide (CIGSS) films with controlled stoichiometry.

The successful development of lithium-drifted Ge detectors in the 1960's marked the beginning of the significant use of semiconductor crystals for direct detection and spectroscopy of gamma rays. In the 1970's, high-purity Ge became available, which enabled the production of complex detectors and multi-detector systems. In the following decades, the technology of semiconductor gamma-ray detectors continued to advance, with significant developments not only in Ge detectors but also in Si detectors and room-temperature compound-semiconductor detectors. In recent years, our group at Lawrence Berkeley National Laboratory has developed a variety of gamma ray detectors based on these semiconductor materials. Examples include Ge strip detectors, lithium-drifted Si strip detectors, and coplanar-grid CdZnTe detectors. These advances provide new capabilities in the measurement of gamma rays, such as the ability to perform imaging and the realization of highly compact spectroscopy systems.

• 1. What can't be ignored
• 1.1 Real numbers
• 1.2 Complex numbers
• 1.3 Matrices
• 1.4 Real functions
• 1.5 To err is not only human
• 1.6 A few more words about MATLAB
• 1.7 What we haven't told you
• 1.8 Exercises
• 2. Nonlinear equations
• 2.1 The bisection method
• 2.2 The Newton method
• 2.3 Fixed point iterations
• 2.4 What we haven't told you
• 2.5 Exercises
• 3. Approximation of functions and data
• 3.1 Interpolation
• 3.2 Piecewise linear interpolation
• 3.3 Approximation by spline functions
• 3.4 The least squares method
• 3.5 What we haven't told you
• 3.6 Exercises
• 4. Numerical differentiation and integration
• 4.1 Approximation of function derivatives
• 4.2 Numerical integration
• 4.3 Simpson adaptive formula
• 4.4 What we haven't told you
• 4.5 Exercises
• 5. Linear systems
• 5.1 The LU factorization method
• 5.2 The technique of pivoting
• 5.3 How accurate is the LU factorization?
• 5.4 How to solve a tridiagonal system
• 5.5 Iterative methods
• 5.5.1 How to construct an iterative method
• 5.6 When should an iterative method be stopped?
• 5.7 Richardson method
• 5.8 What we haven't told you
• 5.9 Exercises
• 6. Eigenvalues and eigenvectors
• 6.1 The power method
• 6.2 Generalization of the power method
• 6.3 How to compute the shift
• 6.4 Computation of all the eigenvalues
• 6.5 What we haven't told you
• 6.6 Exercises
• 7. Ordinary differential equations
• 7.1 The Cauchy problem
• 7.2 Euler methods
• 7.3 The Crank-Nicolson method
• 7.4 Zero-stability
• 7.5 Stability on unbounded intervals
• 7.6 High order methods
• 7.7 The predictor-corrector methods
• 7.8 Systems of differential equations
• 7.9 What we haven't told you
• 7.10 Exercises
• 8. Numerical methods for boundary-value problems
• 8.1 Approximation of boundary-value problems
• 8.2 Finite differences in 2 dimensions
• 8.3 What we haven't told you
• 8.4 Exercises
• 9. Solutions of the exercises
• 9.1 Chapter 1
• 9.2 Chapter 2
• 9.3 Chapter 3
• 9.4 Chapter 4
• 9.5 Chapter 5
• 9.6 Chapter 6
• 9.7 Chapter 7
• 9.8 Chapter 8
• Index of MATLAB Programs.

This textbook is an introduction to Scientific Computing, in which several numerical methods for the computer solution of certain classes of mathematical problems are illustrated. The authors show how to compute the zeros or the integrals of continuous functions, solve linear systems, approximate functions by polynomials and construct accurate approximations for the solution of differential equations. To make the presentation concrete and appealing, the programming environment Matlab is adopted as a faithful companion.
(source: Nielsen Book Data)

Predictions of component performance versus lifetime are often risky for complex materials in which there may be many underlying aging or degradation mechanisms. In order to develop more accurate predictive models for silica-filled siloxane components, we are studying damage mechanisms over a broad range of size domains, linked together through several modeling efforts. Atomistic and molecular dynamic modeling has elucidated the chemistry of the silica filler to polymer interaction, as this interaction plays a key role in this material's aging behavior. This modeling work has been supported by experimental data on the removal of water from the silica surface, the effect of the surrounding polymer on this desiccation, and on the subsequent change in the mechanical properties of the system. Solid State NMR efforts have characterized the evolution of the polymer and filler dynamics as the material is damaged through irradiation or desiccation. These damage signatures have been confirmed by direct measurements of changes in polymer crosslink density and filler interaction as measured by solvent swelling, and by mechanical property tests. Data from the changes at these molecular levels are simultaneously feeding the development of age-aware constitutive models for polymer behavior. In addition, the microstructure of the foam, including under load, has been determined by Computed Tomography, and this data is being introduced into Finite Element Analysis codes to allow component level models. All of these techniques are directed towards the incorporation of molecular and microstructural aging signatures into predictive models for overall component performance.

The preparation and characterization of energetic composite materials containing nanometer-sized constituents is currently a very active and exciting area of research at laboratories around the world. Some of these efforts have produced materials that have shown very unique and important properties relative to traditional energetic materials. We have previously reported on the use of sol-gel chemical methods to prepare energetic nanocomposites. Primarily we reported on the sol-gel method to synthesize nanometer-sized ferric oxide that was combined with aluminum fuel to make pyrotechnic nanocomposites. Since then we have developed a synthetic approach that allows for the preparation of hybrid inorganic/organic energetic nanocomposites. This material has been characterized by thermal methods, energy-filtered transmission electron microscopy (EFTEM), N₂ adsorption/description methods, and Fourier-Transform (FT-IR) spectroscopy, results of which will be discussed. According to these characterization methods the organic polymer phase fills the nanopores of the composite material, providing superb mixing of the component phases in the energetic nanocomposite. The EFTEM results provide a convenient and effective way to evaluate the intimacy of mixing between these component phases. The safe handling and preparation of energetic nanocomposites is of paramount importance to this research and we will report on studies performed to ensure such.

• I. Fluid Flow.- Large-Scale Fluid-Structure Interaction Simulations Using Parallel Computers.- MEGAFLOW - An Industrial Flow Simulation Tool for Aircraft Applications 21.- Development of a Parallel FVM Based Groundwater.- Flow Model.- Adaptive Hybrid Mixed Finite Element Discretization of Instationary Variably Saturated Flow in Porous Media 37.- Simulation of High Pressure Liquid Chromatography (HPLC) Columns with CFD 45.- CFD Calculations of Flow, Dispersion and Chemical Reactions in Fixed Bed Tubular Reactors Using the Lattice Boltzmann Method 53.- Computational Engineering for Wind-Exposed Thin-Walled Structures 63.- Numerical Simulation of Wind Loads on Antenna Structures 71.- Numerical Calculation of Turbulent Premixed Flames with an Efficient Turbulent Flame Speed Closure Model 81.- Monte Carlo Simulations of Radiative Heat Transfer with.- Parallel Computer Architectures 89.- Direct Numerical Simulation of Bubble Swarms with.- a Parallel Front-Tracking Method.- Symmetry-Preserving Discretization of Turbulent Channel.- Flow 107.- Parallelization Strategies and Efficency of CFD Computations in Complex Geometries Using Lattice Boltzmann Methods on High-Performance Computers 115.- Applications of the Lattice Boltzmann Method to Complex and Turbulent Flows 123.- Computation of Flows Around Space Configurations.- Flow Visualization on Hierarchical Cartesian Grids.- II. Mathematical Methods.- The Finite Mass Method - A New Approach to the Solution of Flow Problems 149.- An Octree-Based Approach for Fast Elliptic Solvers.- A Variable Order Method of Lines: Accuracy, Conservation and Applications 167.- A Hybrid Direct/Iterative Algorithm for the Solution of Poisson's Equation Based on the Schur Complement Method 175.- III. Crystal Growth and Materials.- High-Performance Computing, Multi-Scale Models for Crystal Growth Systems.- Semi-Direct Numerical Simulation of a Czochralski Melt Flow on High-Performance Computers.- High-Order Numerical Solutions for Rotating Flows with Walls.- Parallel Coupled Simulation of Casting Processes on Cluster of PCs 221.- Controlling Point Defects in Single Silicon Crystals Grown by the Czochralski Method 229.- A Two-Scale Method for Liquid-Solid Phase Transitions with Dendritic Microstructure 237.- Application of Higher Order BDF Discretization of the Boussinesq Equation and the Heat Transport Equation.- Spectral and Finite Volume Numerical Approximations for Solutal Convection in Melted Alloys 253.- Numerical Simulation of Physical Vapour Transport Crystal Growth Processes by a Finite Volume Solution Algorithm 261.- 3D Block-Structured Grid Algorithms for the Numerical Simulation of Chemical Vapor Deposition in Horizontal Reactors.- Control of Electron Beam Evaporation: Numerical Simulation.- IV. Dynamic Systems and Optimal Control.- Solution of a Hard Flight Path Optimization Problem by Different Optimization Codes 289.- Adaptive Data Structures and Algorithms for Efficient Visualization and Data Management at Runtime of Terrain and Feature Data 297.- Recent Improvements in the Trajectory Optimization Software ASTOS.- Optimal Design of the Power Train of Vehicles: Modelling, Simulation and Optimization.- Unsteady Heat Load Simulation for Hypersonic Cruise Optimization 325.- Modeling Techniques and Parameter Estimation for the Simulation of Complex Vehicle Structures.- V. Optimization of Electronic Circuits.- Numerical Techniques for Different Time Scales in Electric Circuit Simulation 343.- Transient Noise Analysis in Circuit Simulation.- Realistic Step Flow Model for Orientation-Dependent Wet Etching 369.- Modeling of Ion-Induced Charge Generation in High Voltage Diodes 377.- Modelling and Simulation of the Transient Electromagnetic Behavior of High Power Bus Bars 385.- Modeling and Simulation of Electrothermomechanical.- Coupling Phenomena in High Power Electronics.- Heat Conduction as Eigenvalue Problem.
• (source: Nielsen Book Data)

In Douglas Adams' book 'Hitchhiker's Guide to the Galaxy', hyper-intelligent beings reached a point in their existence where they wanted to understand the purpose of their own existence and the universe. They built a supercomputer, called Deep Thought, and upon completion, they asked it for the answer to the ultimate question of life, the universe and everything else. The computer worked for several millennia on the answers to all these questions. When the day arrived for hyper-intelligent beings the to receive the answer, they were stunned, shocked and disappointed to hear that the answer was simply 42. The still open questions to scientists and engineers are typically much sim- pler and consequently the answers are more reasonable. Furthermore, because human beings are too impatient and not ready to wait for such a long pe- riod, high-performance computing techniques have been developed, leading to much faster answers. Based on these developments in the last two decades, scientific and engineering computing has evolved to a key technology which plays an important role in determining, or at least shaping, future research and development activities in many branches of industry. Development work has been going on all over the world resulting in numerical methods that are now available for simulations that were not foreseeable some years ago. However, these days the availability of supercomputers with Teraflop perfor- mance supports extensive computations with technical relevance. A new age of engineering has started.
(source: Nielsen Book Data)

The amplifier top plates are monolithic, cast aluminum structures from which the amplifier frame assembly units (FAUs), and the line-replaceable flash lamp units (LRUs) inside them, are hung on the support rails in the laser bays. When fully assembled, each plate must support a static weight of 10,600 or 16,000 pounds, depending upon whether two or three loaded FAUs are attached. The top plates are fabricated from ''ALCA Plus{trademark}'', a zinc-containing aluminum casting alloy similar in composition to some standard alloys in the 7000-series. For electrical reasons, all of the plate with the exception of the support ''ears'', is encased in epoxy as shown in Figure 1. The nominal chemistry of the aluminum alloy is summarized in Table 1 and the nominal mechanical characteristics are summarized in Table 2. For comparison, wrought alloys of similar composition in the 7000-series have ultimate strengths of approximately 33-76 ksi and elongations of 11-17%, depending upon the temper.

• Part 1: Before Getting Started in Photoshop. Flatbed Scanners. Film Scanners. Scanning Tips. Digital Camera Systems. Making Non-pixelated, High Resolution Images from Graphing, Drawing & Word Processing Programs. Differences Between a Drawing Program (Vector Graphics) and a Paint Program (Image Files). Ethics and Photoshop. Computer Requirements for Running Photoshop. Computer Screens (monitors). Setting Memory for Photoshop on a Macintosh. Visual Definitions. Overview of Toolbar. Setting up The Photoshop Workspace. Troubleshooting. Load Actions in Photoshop.
• Part 2: Quick Photoshop: Steps for Single Images. Marquee Tool and Guidelines. Open Image/Duplicate. Rotate/Flip. Undo & History. Zooming In & Out. Crop. Mode. Dust and Scratches. Sharpening. Contrast & Color: A Primer. Contrast/Color Auto Actions. Contrast/Color Manual Adjustments. Contrast/Color Darkfield & Drawings or Graphs. Contrast: Measuring Pixels & Matching Background Gray Levels. Manual Color Controls/Subtle colors. Color-Changing Certain Colors. Adding Color. Subsequent Steps for Single Image. Final Resolution and Dimensions for Single Images.
• Part 3: Combining More Than One Image and Adding Lettering. Layers. Layers: Actions & Flattening. Cropping Several Images to the Same Dimensions. Merging Images. Combining 1 Image. Color-Changing Certain Colors. Adding Color. Adding White Space For Lettering in Photoshop. Manual Lettering of Images (4x, 5x) Lettering in Photoshop (6x, 7x) Enhancements to Lettering Alignment and Orientation of Type.
• Part 4: Finalizing Figures. Auto, Single & Multi-Image Figures (or Plates). Manual Layout of Multiple Images to Make a Figure or Plate. Symbols. Adding Symbols Manually. Filling Image Areas with Patterns. Magnification and Scale Bars. Saving Files. Prints and 35mm Slides From Digital Files. Setting Resolution and Dimensions For Output. Working With Color CMYK Files (for Publication and Pre-Press Printers). Working with PowerPoint. Color Shifts with Grayscale Photographs. Organizing & Archiving Files. Summary of Steps. Index.
• (source: Nielsen Book Data)

Quick Photoshop for Research: A Guide to Digital Imaging is a step-by-step guide written for those who use Photoshop 4.x, 5.x, 6.x, and 7.x on Macintosh or Windows platforms. It is intended for the researcher who needs to use the program infrequently, yet energetically, as well as the beginning or intermediate Photoshop user. The manual shows how to use action buttons so that most functions are performed with the click of a button. Templates are also included for two-, three-, four-, six-, and eight-panel figures, which can be made automatically. The book covers only what the researcher needs to know for the production of publication-quality images.
(source: Nielsen Book Data)
This text contains essential information on the use of Photoshop specific to researchers. The step-by-step guide is designed not for the purpose of graphic or web design: instead, the book only addresses the tools and functions necessary for the ethical enhancement of scientific images, and subsequent layout of these images into figures or plates. The aim is to provide information about digital imaging in an easy-to-follow guide from the beginning of the imaging process to its end. Additional information about scanning and acquiring images via a digital camera or laser/PMT system is also covered, as well as information about printers and PowerPoint. This book is intended for occasional users, as well as beginning and intermediate users, primarily in the life sciences, though it can be applied to forensics, astronomy, and engineering. It can also be distributed from core imaging facilities from within universities and corporations for those who use microscopes, scanners, confocal systems, and other imaging devices.
(source: Nielsen Book Data)

• Part 1: Before Getting Started in Photoshop. Flatbed Scanners. Film Scanners. Scanning Tips. Digital Camera Systems. Making Non-pixelated, High Resolution Images from Graphing, Drawing & Word Processing Programs. Differences Between a Drawing Program (Vector Graphics) and a Paint Program (Image Files). Ethics and Photoshop. Computer Requirements for Running Photoshop. Computer Screens (monitors). Setting Memory for Photoshop on a Macintosh. Visual Definitions. Overview of Toolbar. Setting up The Photoshop Workspace. Troubleshooting. Load Actions in Photoshop.
• Part 2: Quick Photoshop: Steps for Single Images. Marquee Tool and Guidelines. Open Image/Duplicate. Rotate/Flip. Undo & History. Zooming In & Out. Crop. Mode. Dust and Scratches. Sharpening. Contrast & Color: A Primer. Contrast/Color Auto Actions. Contrast/Color Manual Adjustments. Contrast/Color Darkfield & Drawings or Graphs. Contrast: Measuring Pixels & Matching Background Gray Levels. Manual Color Controls/Subtle colors. Color-Changing Certain Colors. Adding Color. Subsequent Steps for Single Image. Final Resolution and Dimensions for Single Images.
• Part 3: Combining More Than One Image and Adding Lettering. Layers. Layers: Actions & Flattening. Cropping Several Images to the Same Dimensions. Merging Images. Combining 1 Image. Color-Changing Certain Colors. Adding Color. Adding White Space For Lettering in Photoshop. Manual Lettering of Images (4x, 5x) Lettering in Photoshop (6x, 7x) Enhancements to Lettering Alignment and Orientation of Type.
• Part 4: Finalizing Figures. Auto, Single & Multi-Image Figures (or Plates). Manual Layout of Multiple Images to Make a Figure or Plate. Symbols. Adding Symbols Manually. Filling Image Areas with Patterns. Magnification and Scale Bars. Saving Files. Prints and 35mm Slides From Digital Files. Setting Resolution and Dimensions For Output. Working With Color CMYK Files (for Publication and Pre-Press Printers). Working with PowerPoint. Color Shifts with Grayscale Photographs. Organizing & Archiving Files. Summary of Steps. Index.
• (source: Nielsen Book Data)

Quick Photoshop for Research: A Guide to Digital Imaging is a step-by-step guide written for those who use Photoshop 4.x, 5.x, 6.x, and 7.x on Macintosh or Windows platforms. It is intended for the researcher who needs to use the program infrequently, yet energetically, as well as the beginning or intermediate Photoshop user. The manual shows how to use action buttons so that most functions are performed with the click of a button. Templates are also included for two-, three-, four-, six-, and eight-panel figures, which can be made automatically. The book covers only what the researcher needs to know for the production of publication-quality images.
(source: Nielsen Book Data)
This text contains essential information on the use of Photoshop specific to researchers. The step-by-step guide is designed not for the purpose of graphic or web design: instead, the book only addresses the tools and functions necessary for the ethical enhancement of scientific images, and subsequent layout of these images into figures or plates. The aim is to provide information about digital imaging in an easy-to-follow guide from the beginning of the imaging process to its end. Additional information about scanning and acquiring images via a digital camera or laser/PMT system is also covered, as well as information about printers and PowerPoint. This book is intended for occasional users, as well as beginning and intermediate users, primarily in the life sciences, though it can be applied to forensics, astronomy, and engineering. It can also be distributed from core imaging facilities from within universities and corporations for those who use microscopes, scanners, confocal systems, and other imaging devices.
(source: Nielsen Book Data)

• 1. Introduction
• 2. Deterministic chaos
• 3. Chaos and Stochastic Systems
• 4. Statistical Analysis I
• 5. Statistical Analysis II
• 6. Nonlinear Least-Square Prediction
• 7. Miscellaneous Topics
• References.
• (source: Nielsen Book Data)

This book discusses dynamical systems that are typically driven by stochastic dynamic noise. It is written by two statisticians essentially for the statistically inclined readers. It covers many of the contributions made by the statisticians in the past twenty years or so towards our understanding of estimation, the Lyapunov-like index, the nonparametric regression, and many others, many of which are motivated by their dynamical system counterparts but have now acquired a distinct statistical flavor.
(source: Nielsen Book Data)

Knovel provides access to reference materials in the fields of engineering and applied sciences. Subject areas covered include: chemistry and chemical engineering, plastics and rubbers, semiconductors, advanced materials, and safety, health and hygiene.

A theoretical model of combustion in spherical TNT explosions at large Reynolds, Peclet and Damk hler numbers is described. A key feature of the model is that combustion is treated as material transformations in the Le Chatelier plane, rather than ''heat release''. In the limit considered here, combustion is concentrated on thin exothermic sheets (boundaries between fuel and oxidizer). The products expand along the sheet, thereby inducing vorticity on either side of the sheet that continues to feed the process. The results illustrate the linking between turbulence (vorticity) and exothermicity (dilatation) in the limit of fast chemistry thereby demonstrating the controlling role that fluid dynamics plays in such problems.

Fact sheet written for the NICE3 Program on an innovative method of purifying combinatorial chemistry compounds.

• Physics.- Finite difference modelling of elastic wave propagation in the Earth's uppermost mantle.- Direct Simulation of Seismic Wave Propagation.- Summary of Project 11172.- Development and Astrophysical Applications of a Parallel Smoothed Particle Hydrodynamics Code with MPI.- Collisional dynamics around black hole binaries in galactic centres.- IMD - A Massively Parallel Molecular Dynamics Package for Classical Simulations in Condensed Matter Physics.- Symmetrie diblock copolymers confined into thin films: A Monte Carlo investigation on the CRAY T3E.- Molecular Dynamics of Covalent Crystals.- Simulation of random copolymers at selective interfaces and of cross-linked polymer blends.- Towards the Limits of present-day Supercomputers: Exact Diagonalization of Strongly Correlated Electron-Phonon Systems.- The Metal-Insulator Transition in the Hubbard Model.- Vibronic studies of adsorbate-covered semiconductor surfaces with the help of HPC.- Computational Methods in Chemistry and Molecular Biology.- The multi-reference configuration interaction method on massively parallel architectures.- Quantum Chemical Studies on Heterocyclic Rearrangements in Benzofuroxans: Reaction Paths, Vibrational Spectra, and Rate Constants.- High Level Quantum-Chemical Computations on the Cyclizations of Enyne Allenes.- MD Simulation of a Phospholipid Bilayer.- Three-Dimensional Organization of Chromosome Territories and the Human Cell Nucleus.- Computational Fluid Dynamics (CFD).- Parallel Computation of Interface Dynamics in Incompressible Two-Phase Flows.- Numerical Simulation of Fluid Flow and Heat Transfer in an Industrial Czochralski Melt Using a Parallel-Vector Supercomputer.- Numerical flow simulation in cylindrical geometries.- DNS of Laminar-Turbulent Transition in Separation Bubbles.- Numerical Simulation of Supersonic Hydrogen-Air Combustion.- Computation of Turbulent Flows with Separation by Coherent Structure Capturing.- Large Eddy Simulation of the Flow around a Circular Cylinder.- Direct Numerical Simulations of an Adverse Pressure Gradient Turbulent Boundary Layer on High Performance Computers.- Aeroelastic Analysis of a Helicopter Rotor in Forward Flight.- Flow with chemical reaction.- Investigation of Chemistry-Turbulence Interactions Using DNS on the Cray T3E.- Multigrid Convergence Acceleration for Non-Reactive and Reactive Flows.- Quasi-Particles in a Three-Dimensional Three-Component Reaction-Diffusion System.- Upwind Relaxation Algorithm for Re-entry Nonequilibrium Flows.- 3D Simulation of instationary turbulent flow and combustion in internal combustion engines.- Numerical prediction of load changes in a coal-fired utility boiler.- Structural Mechanics and Electrical Engineering.- Design and Application of Object Oriented Parallel Data Structures in Particle and Continuous Systems.- Computation of Electromagnetic Fields by the Method of Moments on the CRAY T3E: Iterative Solution Techniques and Large Scale Applications.- Numerical Treatment of Time Varying Magnetic Fields in Power Transformers by Using the Boundary Element Method (BEM).- Direct and Inverse Electromagnetic Scattering.- Computer Science.- Fine-Grained Multithreading on the Cray T3E.- ParGrad System: Dynamical Adaptation of the Parallelism Degree of Programs on Cray T3E.- Comparative Measurements of the Solution of PDE's on the PARAGON and the SB-PRAM.- KaHPF: Compiler generated Data Prefetching for HPF.- A Parallel Object Oriented Framework for Particle Methods.- Parallel solution of Partial Differential Equations with Adaptive Multigrid Methods on Unstructured Grids.- Coupling and Parallelization of Grid-based Numerical Simulation Software.
• (source: Nielsen Book Data)

The book contains reports about the most significant projects from science and engineering of the Federal High Performance Computing Center Stuttgart (HLRS). They were carefully selected in a peer-review process and are showcases of an innovative combination of state-of-the-art modeling, novel algorithms and the use of leading-edge parallel computer technology. The projects of HLRS are using supercomputer systems operated jointly by university and industry and therefore a special emphasis has been put on the industrial relevance of results and methods.
(source: Nielsen Book Data)
Prof. Dr. Egon Krause Aerodynamisches Institut, RWTH Aachen Wiillnerstr. 5 u. 7, D-52062 Aachen Prof. Dr. Willi Jager Interdisziplinares Zentrum fiir Wissenschaftliches Rechnen Universitat Heidelberg 1m Neuenheimer Feld 368, D-69120 Heidelberg High Performance Computing is progressing as a discipline providing im- portant tools for research and development in science and industry. The High- Performance Computing Center Stuttgart (HLRS) is not only providing the facilities, hard- and software for a growing community of researchers and developers, but it also promotes the know-how to use supercomputers effi- ciently. Regular exchange of information, of ideas and methods is essential in improving the proper use of the facilities, and their performance as well as the application of algorithms and of simulation techniques. A Second Result and Review Workshop on High-Performance Computing in Science and Engineering, (October 4 -6,1999) was organized by the HLRS in order to give an overview of the scientific work carried out during the past year and to demonstrate the state of the art in the various fields. In 1998 the Land Baden-Wiirttemberg decided to extend the responsibilities of the Steering Committee of the HLRS and therewith also the rules of access to its Scientific Supercomputing Center (SSC) Karlsruhe. That center was recently upgraded with the IBM RS 6000 SP, thereby significantly increasing the attractivity of the two centers, since the joint portfolio of computer- architectures now covers most of the application-profile of their users.
(source: Nielsen Book Data)

The recent focus of microelectromechanical-systems (MEMS) based instrumentation has largely dealt with increasing the throughput of established processes, including drug screening/drug discovery/combinatorial chemistry, or the miniaturization of accepted bench-top instruments. The miniaturization and automation of procedures that were previously performed manually are included in these activities. We suggest that BioMEMS instrumentation will adopt an additional direction, that of providing information and capabilities to the physician that are not available, today.

• 1. Principles of Formation of the Atomic Structure of Crystals.- 1.1 The Structure of Atoms.- 1.1.1 A Crystal as an Assembly of Atoms.- 1.1.2 Electrons in an Atom.- 1.1.3 Multielectron Atoms and the Periodic System.- 1.2 Chemical Bonding Between Atoms.- 1.2.1 Types of Chemical Bonding.- 1.2.2 Ionic Bond.- 1.2.3 Covalent Bond. Valence-Bond Method.- 1.2.4 Hybridization. Conjugation.- 1.2.5 Molecular-Orbital (MO) Method.- 1.2.6 Covalent Bond in Crystals.- 1.2.7 Electron Density in a Covalent Bond.- 1.2.8 Metallic Bond.- 1.2.9 Weak (van der Waals) Bonds.- 1.2.10 Hydrogen Bonds.- 1.2.11 Magnetic Ordering.- 1.3 Energy of the Crystal Lattice.- 1.3.1 Experimental Determination of the Crystal Energy.- 1.3.2 Calculation of the Potential Energy.- 1.3.3 Organic Structures.- 1.4 Crystallochemical Radii Systems.- 1.4.1 Interatomic Distances.- 1.4.2 Atomic Radii.- 1.4.3 Ionic Radii.- 1.4.4 The System of Atomic-Ionic Radii of a Strong Bond.- 1.4.5 System of Intermolecular Radii.- 1.4.6 Weak- and Strong-Bond Radii.- 1.5 Geometric Regularities in the Atomic Structure of Crystals.- 1.5.1 The Physical and the Geometric Model of a Crystal.- 1.5.2 Structural Units of a Crystal.- 1.5.3 Maximum-Filling Principle.- 1.5.4 Relationship Between the Symmetry of Structural Units and Crystal Symmetry.- 1.5.5 Statistics of the Occurrence of Space Groups.- 1.5.6 Coordination.- 1.5.7 Classification of Structures According to the Dimensionality of Structural Groupings.- 1.5.8 Coordination Structures.- 1.5.9 Relationship Between Coordination and Atomic Sizes.- 1.5.10 Closest Packings.- 1.5.11 Structures of Compounds Based on Close Packing of Spheres.- 1.5.12 Insular, Chain and Layer Structures.- 1.6 Solid Solutions and Isomorphism.- 1.6.1 Isostructural Crystals.- 1.6.2 Isomorphism.- 1.6.3 Substitutional Solid Solutions.- 1.6.4 Interstitial Solid Solutions.- 1.6.5 Modulated and Incommensurate Structures.- 1.6.6 Composite Ultrastructures.-
• 2. Principal Types of Crystal Structures.- 2.1 Crystal Structures of Elements.- 2.1.1 Principal Types of Structures of Elements.- 2.1.2 Cystallochemical Properties of Elements.- 2.2 Intermetallic Structures.- 2.2.1 Solid Solutions and Their Ordering.- 2.2.2 Electron Compounds.- 2.2.3 Intermetallic Compounds.- 2.3 Structures with Bonds of Ionic Nature.- 2.3.1 Structures of Halides, Oxides, and Salts.- 2.3.2 Silicates.- 2.3.3 Superionic Conductors.- 2.4 Covalent Structures.- 2.5 Structure of Complex and Related Compounds.- 2.5.1 Complex Compounds.- 2.5.2 Compounds with Metal Atom Clusters.- 2.5.3 Metal-Molecular Bonds (? Complexes of Transition Metals).- 2.5.4 Compounds of Inert Elements.- 2.6 Principles of Organic Crystal Chemistry.- 2.6.1 The Structure of Organic Molecules.- 2.6.2 Symmetry of Molecules.- 2.6.3 Packing of Molecules in a Crystal.- 2.6.4 Crystals with Hydrogen Bonds.- 2.6.5 Clathrate and Molecular Compounds.- 2.7 Structure of High-Polymer Substances.- 2.7.1 Noncrystallographic Ordering.- 2.7.2 Structure of Chain Molecules of High Polymers.- 2.7.3 Structure of a Polymer Substance.- 2.7.4 Polymer Crystals.- 2.7.5 Disordering in Polymer Structures.- 2.8 Structure of Liquid Crystals.- 2.8.1 Molecule Packing in Liquid Crystals.- 2.8.2 Types of Liquid-Crystal Ordering.- 2.9 Structures of Substances of Biological Origin.- 2.9.1 Types of Biological Molecules.- 2.9.2 Principles of Protein Structure.- 2.9.3 Fibrous Proteins.- 2.9.4 Globular Proteins.- 2.9.5 Structure of Nucleic Acids.- 2.9.6 Structure of Viruses.- 3.Band Energy Structure of Crystals.- 3.1 Electron Motion in the Ideal Crystal.- 3.1.1 Schrodinger Equation and Born-Karman Boundary Conditions.- 3.1.2 Energy Spectrum of an Electron.- 3.2 Brillouin Zones.- 3.2.1 Energy Spectrum of an Electron in the Weak-Bond Approximation.- 3.2.2 Faces of Brillouin Zones and the Laue Condition.- 3.2.3 Band Boundaries and the Structure Factor.- 3.3 Isoenergetic Surfaces. Fermi Surface and Band Structure.- 3.3.1 Energy Spectrum of an Electron in the Strong-Bond Approximation.- 3.3.2 Fermi Surfaces.-
• 4. Lattice Dynamics and Phase Transitions.- 4.1 Atomic Vibrations in a Crystal.- 4.1.1 Vibrations of a Linear Atomic Chain.- 4.1.2 Vibration Branches.- 4.1.3 Phonons.- 4.2 Heat Capacity, Thermal Expansion, and Thermal Conductivity of Crystals.- 4.2.1 Heat Capacity.- 4.2.2 Linear Thermal Expansion.- 4.2.3 Thermal Conductivity.- 4.3 Polymorphism. Phase Transitions.- 4.3.1 Phase Transitions of the First and Second Order.- 4.3.2 Phase Transitions and the Structure.- 4.4 Atomic Vibrations and Polymorphous Transitions.- 4.5 Ordering-Type Phase Transitions.- 4.6 Phase Transitions and Electron-Phonon Interaction.- 4.6.1 Contribution of Electrons to the Free Energy of the Crystal.- 4.6.2 Interband Electron-Phonon Interaction.- 4.6.3 Photostimulated Phase Transitions.- 4.6.4 Curie Temperature and the Energy Gap Width.- 4.7 Debye's Equation of State and Griineisen's Formula.- 4.8 Phase Transitions and Crystal Symmetry.- 4.8.1 Second-Order Phase Transitions.- 4.8.2 Description of Second-Order Transitions with an Allowance for the Symmetry.- 4.8.3 Phase Transitions Without Changing the Number of Atoms in the Unit Cell of a Crystal.- 4.8.4 Changes in Crystal Properties on Phase Transitions.- 4.8.5 Properties of Twins (Domains) Forming on Phase Transformations.- 4.8.6 Stability of the Homogeneous State of the Low-Symmetry Phase.-
• 5. The Structure of Real Crystals.- 5.1 Classification of Crystal Lattice Defects.- 5.2 Point Defects of the Crystal Lattice.- 5.2.1 Vacancies and Interstitial Atoms.- 5.2.2 Role of Impurities, Electrons, and Holes.- 5.2.3 Effect of External Influences.- 5.3 Dislocations.- 5.3.1 Burgers Circuit and Vector.- 5.3.2 Elastic Field of Straight Dislocation.- 5.3.3 Dislocation Reactions.- 5.3.4 Polygonal Dislocations.- 5.3.5 Curved Dislocations.- 5.4 Stacking Faults and Partial Dislocations.- 5.5 Continuum Description of Dislocations.- 5.5.1 Disloeation-Density Tensor.- 5.5.2 Example: A Dislocation Row.- 5.5.3 Scalar Dislocation Density.- 5.6 Subgrain Boundaries (Mosaic Structures) in Crystals.- 5.6.1 Examples of Subgrain Boundaries: A Tilt Boundary and a Twist Boundary.- 5.6.2 The Dislocation Structure of the Subgrain Boundry in General.- 5.6.3 Subgrain Boundary Energy.- 5.6.4 Incoherent Boundaries.- 5.7 Twins 375.- 5.7.1 Twinning Operations.- 5.7.2 Twinning with a Change in Crystal Shape.- 5.7.3 Twinning Without a Change in Shape.- 5.8 Direct Observation of Lattice Defects.- 5.8.1 Ionic Microscopy.- 5.8.2 Electron Microscopy.- 5.8.3 X-Ray Topography.- 5.8.4 Photoelasticity Method.- 5.8.5 Selective Etching Method.- 5.8.6 Investigation of the Crystal Surface.-
• 6. Advances in Structural Crystallography.- 6.1 Development of Structure Analysis. Data Banks.- 6.2 Fullerenes and Fullendes.- 6.2.1 Fullerenes.- 6.2.2 C60 Crystals.- 6.3 Crystal Chemistry of Silicates and Related Compounds.- 6.3.1 Main Features of the Silicate Structures.- 6.3.2 Insular Anionic Tetrahedron Complexes in Silicates.- 6.3.3 Anionic Tetrahedron Complexes in the Form of Rings and Chains.- 6.3.4 Framework Silicates.- 6.3.5 Theoretical Methods for the Calculation of Silicate Structures.- 6.4 Structure of Superconductors.- 6.4.1 Superconductivity.- 6.4.2 High-Temperature Superconductors (HTSCs).- 6.4.3 Structure of MeCuO4 High-Tc Superconductors.- 6.4.4 Atomic Structure of Y-Ba-Cu Phases.- 6.4.5 Atomic Structure of Tl-Phases of High-Tc Superconductors.- 6.4.6 Specific Features of the Structure of HTSCs.- 6.5 Modular Structures, Blocks, and Fragments.- 6.5.1 The Notion of Modular Structures (MS).- 6.5.2 Relationship Between Different Types of Modular Structures.- 6.5.3 Symbolic Notations of MS 434.- 6.5.4 Structure-Property Relations for MS.- 6.6 X-Ray Analysis for Studying Chemical Bonding.- 6.7 Organic Crystal Chemistry.- 6.7.1 Organic Structures.- 6.7.2 Large Organic Molecules.- 6.7.3 Secondary Bonds.- 6.8 Structure Investigation of Biomolecular Crystals.- 6.8.1 Progress in the Methods of X-Ray Macromolecular Crystallography.- 6.8.2 Investigation of Protein Structure by the Nuclear Magnetic Resonance (NMR) Method.- 6.8.3 Dynamics of Protein Molecules.- 6.8.4 Data on the Structure of Large Proteins.- 6.8.5 X-Ray Investigation of Ribosomes.- 6.8.6 Virus Structures.- 6.9 Ordering in Liquid Crystals.- 6.9.1 Smectic A Polymorphism in Liquid Crystals (LC) Containing Polar Molecules.- 6.9.2 Smectic Lamellar Crystalline Phases and Hexatics.- 6.9.3 Freely Suspended Smectic Films.- 6.9.4 Cholesteric Blue Phases.- 6.9.5 Ohter Liquid Crystalline Phases.- 6.10 Langmuir-Blodgett Films.- 6.10.1 Principles of Formation.- 6.10.2 Chemical Composition, Properties and Applications of LB Films.- 6.10.3 Structure of LB Films.- 6.10.4 Multicomponent Langmuir-Blodgett Films. Superlattices.- 6.11 Photo- and Thermostimulated Phase Transitions in Ferroelectrics.- 6.11.1 Photostimulated Phase Transitions in Ferroelectrics.- 6.11.2 Thermostimulated Phase Transitions in Ferroelectrics.- References.
• (source: Nielsen Book Data)

The four-volume treatment Modern Crystallography presents an encyclopaedic exposition of problems concerning the structure of crystals, their growth and their properties. Structure of Crystals deals with crystal structures in inorganic and organic compounds, polymers, liquid crystals, biological crystals and macromolecules.
(source: Nielsen Book Data)

• Comparision of treatments for otitis media using multiple diagnostic methods.- The utility of the Hui-Walter paradigm for the evaluation of diagnostic test in the analysis of social science data.- On the optimal administration of multiple screening tests.- Multinomial prediction intervals for micro-scale highway emissions.- Survival analysis for interval data.- Bayesian interim analysis of Weibull regression models with Gamma frailty.- Monte Carlo minimization for one step ahead sequential control.- Multivariate discrete models for longevity in twins.- List of Participants.
• (source: Nielsen Book Data)

A collection of refereed papers from a six-week workshop on statistics in the health sciences, that brought together theoretical and applied statisticians from universities, medical and public health schools, government and private research institutions, and pharmaceutical companies involved in prediction problems in the life and social sciences and in diagnostic and screening tests. A number of papers with applications were presented and particularly lively discussions ensued involving the critical issues and difficulties in using and interpreting diagnostic tests and implementing mass screening programs. The prediction or controlling future events, such as survival, comparative survival and survival post intervention for a disease or even for certain biological or natural events was also represented by participants who presented work that devised predictive methodology for a variety of problems mainly from a Bayesian perspective.
(source: Nielsen Book Data)

• 1 Homogenization in Perforated Media.-
• 1. The General Method of Homogenization.- 1.1 The One-Dimensional Periodic Case.- 1.2 A Model Example: the Thermal Problem.- 1.3 Perforated Domains.-
• 2. The Homogeneous Neumann Problem.- 2.1 Perforated Domains and Variational Formulation.- 2.2 Multiple-Scale Method.- 2.3 Extension Operators.- 2.4 Convergence Theorems.- 2.5 Domains with Nonisolated Holes.- 2.6 Error Estimates.-
• 3. Other Boundary Value Problems.- 3.1 The Dirichlet Problem.- 3.2 Fourier Conditions.- 3.3 Eigenvalue Problem.- 2 Lattice-Type Structures.-
• 1. The Two-Dimensional Case.- 1.1 Statement of the Problem and the Main Theorem.- 1.2 Proof of the Main Theorem: Technique of Dilatations.- 1.3 Superposition Method.- 1.4 Error Estimates.-
• 2. The Three-Dimensional Case.- 2.1 Honeycomb Structures.- 2.2 Reinforced Structures.-
• 3. Complex Structures and Loss of Ellipticity.- 3.1 A General Method for Diagonal Bars.- 3.2 Linearized Elasticity and Loss of Ellipticity.- 3.3 Examples.-
• 4. Other Boundary Conditions.- 4.1 The Dirichlet Problem.- 4.2 Fourier Conditions.- 4.3 Eigenvalue Problem.- 3 Thermal Problems for Gridworks.-
• 1. Statement of the Problem.-
• 2. Case e = k?.- 2.1 Change of Scale.- 2.2 Limit for ? ? 0.- 2.3 Limit for ? ? 0.-
• 3. Case ? ? e.- 3.1 The Multiple-Scale Method.- 3.2 The Variational Method.- 3.3 Limit for e ? 0.- 3.4 Limit for ? ? 0.-
• 4. Case e ? ?.- 4.1 Limit for e ? 0.- 4.2 Limit for ? ? 0.- 4.3 Limit for ? ? 0.- 4.4 Comparison of the Different Limits.- 4 Elasticity Problems for Gridworks.-
• 1. Statement of the Problem.-
• 2. Limit Plate Behavior.- 2.1 Main Result.- 2.2 A Priori Estimates and Limits of Displacements.- 2.3 Limits of Stresses and Moments and Limit Equations.-
• 3. Homogenization Result.-
• 4. Final Explicit Result and Loss of Ellipticity.-
• 5. Case ? ? e.- 5.1 Limit for ? ? 0.- 5.2 Limit for e ? 0.- 5.3 Limit for ? ? 0.- 5.4 Loss of Ellipticity.-
• 6. Plates Without Loss of Ellipticity.-
• 7. Time-Dependent Plates Models: An Experimental Result.- 5 Thermal Problems for Thin Tall Structures.-
• 1. Statement of the Problem.-
• 2. Case e = ??.- 2.1 Limit for ? ? 0.- 2.2 Limit for ? ? 0.-
• 3. Case ? ? e.- 3.1 Limit for ? ? 0.- 3.2 Limit for e ? 0, Then for ? ? 0.- 3.3 Limit for ? ? 0.- 3.4 Limit for e ? 0.-
• 4. Case e ? ?.-
• 5. Comparison of Limit Systems and Solutions.-
• 6. Numerical Results for a Two-Dimensional Case.- 6.1 Limit for ? ? 0.- 6.2 Limit for e ? 0.- 6.3 Numerical Computation of the Homogenized Solution.- 6.4 Limit for ? ? 0.- 6.5 Numerical Computation of the Solution V?.-
• 7. Generalization for a Three-Dimensional Structure.- 7.1 Case e = ??.- 7.2 Case ? ? e.- 7.3 Case e ? ?.- 6 Elasticity Problems for Thin Tall Structures.-
• 1. Statement of the Problem.- 1.1 Geometric Assumptions.- 1.2 Variational Formulation.-
• 2. Limit for e ? 0.- 2.1 Change of Scale.- 2.2 Assumptions on the Data.- 2.3 Limit for e ?
• 0: Beam Behaviour.-
• 3. Limit for e ?
• 0: Homogenization.-
• 4. Limit for ? ? 0.-
• 5. Applications to Other Structures.- 5.1 Towers.- 5.2 Tall Structures with Oblique Bars.- Final Comments.- References.
• (source: Nielsen Book Data)

Materials science is an area of growing research as composite materials become widely used in such areas as civil engineering, electrotechnics, and the aerospace industry. This mathematically rigorous treatment of lattice-type structures will appeal to both applied mathematicians, as well as engineers looking for a solid mathematical foundation of the methodology.
(source: Nielsen Book Data)

• Preface. 1. Review on explosion events - a comparison of military and civil experiences-- C.O. Leiber, R.M. Doherty. 2. Explosions caused by fires at high explosives production-- B.N. Kondrikov. 3. Prediction of large scale fire behavior using nuterial flammability properties-- M.A. Delichatsios. 4. Use of modern composite materials of the chemical heat accumulator type for fire protection and fire extinguishing-- V.N. Parmon, et al. 5. Test method for ranking the fire properties of materials in space based facilities-- J.L. Cordova, et al. 6. From rocket exhaust plume to fire hazards - methods to analyse radiative heat flux-- V. Weiser, et al. 7. A review of computational fluid dynamics (CFD) modeling of gas explosions-- B.H. Hjertager, T. Solberg. 8. Detonation hazards of gaseous mixtures-- . . Vasil'ev. 9. Evaluation of hazard of spray detonation-- V.V. Mitrofanov, S.A. Zhdan. 10. Dispersion-initiation and detonation of liquid and dust aerosols - experiences derived from military fuel-air explosives-- M. Samirant. 11. Hydrogen fire and explosion safety of atomic power plants-- Y.N. Shebeko. 12. Hydrogen accidents and their hazards-- . . Vasil'ev, et al. 13. Thinlayer boilover of pure or multicomponent fuels-- J.P. Garo, J.P. Vantelon. 14. Industrial accident modelling: consequences and risk-- E.A. Granovsky, et al. 15. The problems of porous flame-arresters-- V.S. Babkin. 16. Ignition and extinction of solid propellants by thermal radiation-- L. De Luca, L. Galfetti. 17. An assessment of ignition hazard for shielded energetic materials and its relation to flammable chemicals-- A.G. Knyazeva, V.E. Zarko. 18. Application of high energy materials for commercial use
• the Indian scene-- H. Singh. 19. Modelling of fire effects on equipment engulfed in a fire-- E. Planas-Cuchi, J. Casal. 20. Mathematical modeling of catastrophic explosions of dispersed aluminum dust-- A.V. Fedorov, et al. 21. Characteristics and applicability of radiothermal location system for the purpose of fire detection in Chernobyl NPP area-- I.I. Zarudnev, et al. 22. Limiting conditions of forest fires spreading and elaboration of the new methods to fight them-- A.M. Grishin. 23. Vortex powder method for extinguishing a fire on spouting gas-oil wells-- D.G. Akhmetov, et al. 24. Nanosize electro-explosion powders: assessment of safety in the production and application-- G.V. Ivanov, et al. 25. Cold gas generators: multiple use in hazardous situations-- V.A. Shandakov, et al. 26. Fast response fire extinguishing systems based on military equipment-- B. Vetlicky, M. Krupka. 27. On near-limiting mechanisms of catastrophic explosions penetrating through channels-- V.I. Manzalei. Index.
• (source: Nielsen Book Data)

Besides its obvious destructive potential, military R&D also serves to protect human lives, equipment and facilities against the effects of weapons. Concepts have therefore been developed that improve safety of stationary and mobile facilities against pressure waves, thermal radiation and fire. Effective, fast fire extinguishing equipment has been designed for tank compartments and motors. Closed buildings are demolished and landmines are removed with gas and dust explosions. Stringent safety requirements have been developed for the production of ammunition and explosives. Military and related industries have accumulated a vast knowledge and sophisticated experience that are very valuable in a variety of civil applications. The knowledge is based on theoretical and experimental research work, the origin of which sometimes dates back many centuries. It has often been classified and therefore has remained unknown to the civilian population, until now.
(source: Nielsen Book Data)

Using CARM (Computer Aided Reduction Method), a computer program that automates the mechanism reduction process, a variety of different reduced chemical kinetic mechanisms for ethylene and n-heptane have been generated. The reduced mechanisms have been compared to detailed chemistry calculations in simple homogeneous reactors and experiments. Reduced mechanisms for combustion of ethylene having as few as 10 species were found to give reasonable agreement with detailed chemistry over a range of stoichiometries and showed significant improvement over currently used global mechanisms. The performance of reduced mechanisms derived from a large detailed mechanism for n-heptane was compared to results from a reduced mechanism derived from a smaller semi-empirical mechanism. The semi-empirical mechanism was advantageous as a starting point for reduction for ignition delay, but not for PSR calculations. Reduced mechanisms with as few as 12 species gave excellent results for n-heptane/air PSR calculations but 16-25 or more species are needed to simulate n-heptane ignition delay.

This paper uses the HCT (Hydrodynamics, Chemistry and Transport) chemical kinetics code to analyze natural gas HCCI combustion in an engine. The HCT code has been modified to better represent the conditions existing inside an engine, including a wall heat transfer correlation. Combustion control and low power output per displacement remain as two of the biggest challenges to obtaining satisfactory performance out of an HCCI engine, and these are addressed in this paper. The paper considers the effect of natural gas composition on HCCI combustion, and then explores three control strategies for HCCI engines: DME (dimethyl ether) addition, intake heating and hot EGR addition. The results show that HCCI combustion is sensitive to natural gas composition, and an active control may be required to compensate for possible changes in composition. The three control strategies being considered have a significant effect in changing the combustion parameters for the engine, and should be able to control HCCI combustion.

This report describes a video presentation designed to introduce science to middle and high school science classes as a field which is attractive to women. It is designed to facilitate thought and discussion on the issue of gender stereotypes and discrimination, and is intended for use as part of a curriculum plan which will discuss these issues.

This is the FY 1997 Progress Report for the Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory. It gives an overview of the LDRD program, summarizes work done on individual research projects, relates the projects to major Laboratory program sponsors, and provides an index to the principal investigators. Project summaries are grouped by their LDRD component: Competency Development, Program Development, and Individual Projects. Within each component, they are further grouped into nine technical categories: (1) materials science, (2) chemistry, (3) mathematics and computational science, (4) atomic and molecular physics and plasmas, fluids, and particle beams, (5) engineering science, (6) instrumentation and diagnostics, (7) geoscience, space science, and astrophysics, (8) nuclear and particle physics, and (9) bioscience.

• 1. Interactive Use of Maple.- 1.1 The Worksheet Interface.- 1.2 Tutorial
• 1: Solving Problems.- 1.3 Tutorial
• 2: Managing Expressions through the Worksheet Interface.- Spreadsheets.- Palettes.- Smart Plots.- 1.4 Tutorial
• 3: Documenting Your Work.- Adding a Title.- Adding Headings.- In-line Mathematics.- 1.5 Tutorial
• 4: Multiple Worksheets.- Drag and Drop.- Adding Hyperlinks.- Bookmarks.- 1.6 Tutorial
• 5: Getting Help.- The Contents of the Help System.- Searching by Topic.- Full Text Searching.- 1.7 Conclusion.-
• 2. Mathematics with Maple: the Basics.- 2.1 Introduction.- 2.2 Numerical Computations.- Integer Computations.- Exact Arithmetic-Rationals, Irrationals, and Constants.- Floating-Point Approximations.- Arithmetic with Special Numbers.- Mathematical Functions.- 2.3 Basic Symbolic Computations.- 2.4 Assigning Names to Expressions.- 2.5 More Basic Types of Maple Objects.- Expression Sequences.- Lists.- Sets.- Operations on Sets and Lists.- Arrays.- Tables.- Strings.- 2.6 Expression Manipulation.- The simplify Command.- The factor Command.- The expand Command.- The convert Command.- The normal Command.- The combine Command.- The map Command.- The lhs and rhs Commands.- The numer and denom Commands.- The nops and op Commands.- Common Questions about Expression Manipulation.- 2.7 Conclusion.-
• 3. Finding Solutions.- 3.1 Simple solve.- Verifying Solutions.- Restricting Solutions.- Exploring Solutions.- The unapply Command.- The assign Command.- The RootOf Command.- 3.2 Solving Numerically: fsolve.- Limitations on solve.- 3.3 Other Solvers.- Finding Integer Solutions.- Finding Solutions Modulo m.- Solving Recurrence Relations.- 3.4 Polynomials.- Sorting and Collecting.- Mathematical Operations.- Coefficients and Degrees.- Root Finding and Factorization.- 3.5 Calculus.- 3.6 Differential Equations: dsolve.- 3.7 The Organization of Maple.- 3.8 The Maple Packages.- List of Packages.- The Student Calculus Package.- The Linear Algebra Package.- The Matlab Package.- The Statistics Package.- The Linear Optimization Package.- 3.9 Conclusion.-
• 4. Graphics.- 4.1 Graphing in Two Dimensions.- Parametric Plots.- Polar Coordinates.- Functions with Discontinuities.- Multiple Plots.- Plotting Data Points.- Refining Plots.- 4.2 Graphing in Three Dimensions.- Parametric Plots.- Spherical Coordinates.- Cylindrical Coordinates.- Refining Plots.- Shading and Lighting Schemes.- 4.3 Animation.- Animation in Two Dimensions.- Animation in Three Dimensions.- 4.4 Annotating Plots.- 4.5 Composite Plots.- Placing Text in Plots.- 4.6 Special Types of Plots.- 4.7 Manipulating Graphical Objects.- 4.8 Conclusion.-
• 5. Evaluation and Simplification.- 5.1 Mathematical Manipulations.- Expanding Polynomials as Sums.- Collecting the Coefficients of Like Powers.- Factoring Polynomials and Rational Functions.- Removing Rational Exponents.- Combining Terms.- Factored Normal Form.- Simplifying Expressions.- Simplification with Assumptions.- Simplification with Side Relations.- Sorting Algebraic Expressions.- Converting Between Equivalent Forms.- 5.2 The Assume Facility.- 5.3 Structural Manipulations.- Mapping a Function onto a List or Set.- Choosing Elements from a List or Set.- Merging Two Lists.- Sorting Lists.- The Parts of an Expression.- Substitution.- Changing the Type of an Expression.- 5.4 Evaluation Rules.- Levels of Evaluation.- Last-Name Evaluation.- One-Level Evaluation.- Commands with Special Evaluation Rules.- Quotation and Unevaluation.- Using Quoted Variables as Function Arguments.- Concatenation of Names.- 5.5 Conclusion.-
• 6. Examples from Calculus.- 6.1 Introductory Calculus.- The Derivative.- A Taylor Approximation.- The Integral.- Mixed Partial Derivatives.- 6.2 Ordinary Differential Equations.- The dsolve Command.- Example: Taylor Series.- When You Cannot Find a Closed Form Solution.- Plotting Ordinary Differential Equations.- Discontinuous Forcing Functions.- 6.3 Partial Differential Equations.- The pdsolve Command.- Changing the Dependent Variable in a PDE.- Plotting Partial Differential Equations.- 6.4 Conclusion.-
• 7. Input and Output.- 7.1 Reading Files.- Reading Columns of Numbers from a File.- Reading Commands from a File.- 7.2 Writing Data to a File.- Writing Columns of Numerical Data to a File.- Saving Expressions in Maple's Internal Format.- Converting to LATEX Format.- 7.3 Exporting Whole Worksheets.- Plain Text.- Maple Text.- LATEX.- HTML.- 7.4 Printing Graphics.- 7.5 Conclusion.
• (source: Nielsen Book Data)

Maple V Mathematics Learning Guide is the fully revised introductory documentation for Maple V Release 5. It shows how to use Maple V as a calculator with instant access to hundreds of high-level math routines and as a programming language for more demanding or specialized tasks. Topics include the basic data types and statements in the Maple V language. The book serves as a tutorial introduction and explains the difference between numeric computation and symbolic computation, illustrating how both are used in Maple V Release 5. Extensive "how-to" examples are presented throughout the text to show how common types of calculations can be easily expressed in Maple. Graphics examples are used to illustrate the way in which 2D and 3D graphics can aid in understanding the behaviour of problems.
(source: Nielsen Book Data)

• Scaling limit for the incipient spanning clusters.- Bounded and unbounded level lines in two-dimensional random fields.- Transversely isotropic poroelasticity arising from thin isotropic layers.- Bounds on the effective elastic properties of martensitic polycrystals.- Statistical models for fracture.- Normal and anomalous diffusions in random flows.- Calculating the mechanical properties of materials from interatomic forces.- Granular media: some new results.- Elastic freedom in cellular solids and composite materials.- Weakly nonlinear conductivity and flicker noise near percolation.- Fine properties of solutions to conductivity equations with applications to composites.- Composite sensors and actuators.- Bounding the effective yield behavior of mixtures.- Upper bounds on electrorheological properties.- On spatiotemporal patterns in composite reactive media.- Equilibrium shapes of islands in epitaxially strained solid films.- Numerical simulation of the effective elastic properties of a class of cell materials.
• (source: Nielsen Book Data)

The 1995-1996 program at the Institute for Mathematics and its Applications was devoted to mathematical methods in material science, and was attended by materials scientists, physicists, geologists, chemists engineers, and mathematicians. This volume contains chapters which emerged from four of the workshops, focusing on disordered materials; interfaces and thin films; mechanical response of materials from angstroms to meters; and phase transformation, composite materials and microstructure. The scales treated in these workshops ranged from the atomic to the macroscopic, the microstructures from ordered to random, and the treatments from "purely" theoretical to highly applied. Taken together, these results form a compelling and broad account of many aspects of the science of multi-scale materials, and will hopefully inspire research across the self-imposed barriers of twentieth century science.
(source: Nielsen Book Data)

The Ernest Orlando Lawrence Berkeley National Laboratory (Berkeley Lab) Laboratory Directed Research and Development Program FY 1996 report is compiled from annual reports submitted by principal investigators following the close of the fiscal year. This report describes the projects supported and summarizes their accomplishments. It constitutes a part of the Laboratory Directed Research and Development (LDRD) program planning and documentation process that includes an annual planning cycle, projection selection, implementation, and review. The Berkeley Lab LDRD program is a critical tool for directing the Laboratory`s forefront scientific research capabilities toward vital, excellent, and emerging scientific challenges. The program provides the resources for Berkeley Lab scientists to make rapid and significant contributions to critical national science and technology problems. The LDRD program also advances the Laboratory`s core competencies, foundations, and scientific capability, and permits exploration of exciting new opportunities. Areas eligible for support include: (1) Work in forefront areas of science and technology that enrich Laboratory research and development capability; (2) Advanced study of new hypotheses, new experiments, and innovative approaches to develop new concepts or knowledge; (3) Experiments directed toward proof of principle for initial hypothesis testing or verification; and (4) Conception and preliminary technical analysis to explore possible instrumentation, experimental facilities, or new devices.

This report summarizes the FY 1996 goals and accomplishments of Laboratory-Directed Research and Development (LDRD) projects. It gives an overview of the LDRD program, summarizes work done on individual research projects, and provides an index to the projects` principal investigators. Projects are grouped by their LDRD component: Individual Projects, Competency Development, and Program Development. Within each component, they are further divided into nine technical disciplines: (1) materials science, (2) engineering and base technologies, (3) plasmas, fluids, and particle beams, (4) chemistry, (5) mathematics and computational sciences, (6) atomic and molecular physics, (7) geoscience, space science, and astrophysics, (8) nuclear and particle physics, and (9) biosciences.

• A high performance matrix multiplication algorithm for MPPs.- Iterative moment method for electromagnetic transients in grounding systems on CRAY T3D.- Analysis of crystalline solids by means of a parallel FEM method.- Parallelization strategies for Tree N-body codes.- Numerical solution of stochastic differential equations on transputer network.- Development of a stencil compiler for one-dimensional convolution operators on the CM-5.- Automatic parallelization of the AVL FIRE benchmark for a distributed-memory system.- 2-D cellular automata and short range molecular dynamics programs for simulations on networked workstations and parallel computers.- Pablo-based performance monitoring tool for PVM applications.- Linear algebra computation on parallel machines.- A neural classifier for radar images.- ScaLAPACK: A portable linear algebra library for distributed memory computers - Design issues and performance.- A proposal for a set of parallel basic linear algebra subprograms.- Parallel implementation of a Lagrangian stochastic particle model of turbulent dispersion in fluids.- Reduction of a regular matrix pair (A, B) to block Hessenberg-triangular form.- Parallelization of algorithms for neural networks.- Paradigms for the parallelization of Branch&Bound algorithms.- Three-dimensional version of the Danish Eulerian Model.- A proposal for a Fortran 90 interface for LAPACK.- ScaLAPACK tutorial.- Highly parallel concentrated heterogeneous computing.- Adaptive polynomial preconditioning for the conjugate gradient algorithm.- The IBM parallel engineering and scientific subroutine library.- Some preliminary experiences with sparse BLAS in parallel iterative solvers.- Load balancing in a Network Flow Optimization code.- User-level VSM optimization and its application.- Benchmarking the cache memory effect.- Efficient Jacobi algorithms on multicomputers.- Front tracking: A parallelized approach for internal boundaries and interfaces.- Program generation techniques for the development and maintenance of numerical weather forecast Grid models.- High performance computational chemistry: NWChem and fully distributed parallel applications.- Parallel ab-initio molecular dynamics.- Dynamic domain decomposition and load balancing for parallel simulations of long-chained molecules.- Concurrency in feature analysis.- A parallel iterative solver for almost block-diagonal linear systems.- Distributed general matrix multiply and add for a 2D mesh processor network.- Distributed and parallel computing of short-range molecular dynamics.- Lattice field theory in a parallel environment.- Parallel time independent quantum calculations of atom diatom reactivity.- Parallel oil reservoir simulation.- Formal specification of multicomputers.- Multi-million particle molecular dynamics on MPPs.- Wave propagation in urban microcells: a massively parallel approach using the TLM method.- The NAG Numerical PVM Library.- Cellular automata modeling of snow transport by wind.- Parallel algorithm for mapping of parallel programs into pyramidal multiprocessor.- Data-parallel molecular dynamics with neighbor-lists.- Visualizing astrophysical 3D MHD turbulence.- A parallel sparse QR-factorization algorithm.- Decomposing linear programs for parallel solution.- A parallel computation of the Navier-Stokes equation for the simulation of free surface flows with the volume of fluid method.- Improving the performance of parallel triangularization of a sparse matrix using a reconfigurable multicomputer.- Comparison of two image-space subdivision algorithms for Direct Volume Rendering on distributed-memory multicomputers.- Communication harnesses for transputer systems with tree structure and cube structure.- A thorough investigation of the projector quantum Monte Carlo method using MPP technologies.- Distributed simulation of a set of elastic macro objects.- Parallelization of ab initio molecular dynamics method.- Parallel computations with large atmospheric models.
• (source: Nielsen Book Data)

This book presents the refereed proceedings of the Second International Workshop on Applied Parallel Computing in Physics, Chemistry and Engineering Science, PARA'95, held in Lyngby, Denmark, in August 1995. The 60 revised full papers included have been contributed by physicists, chemists, and engineers, as well as by computer scientists and mathematicians, and document the successful cooperation of different scientific communities in the booming area of computational science and high performance computing. Many widely-used numerical algorithms and their applications on parallel computers are treated in detail.
(source: Nielsen Book Data)

• 1 Fractals and Multifractals: The Interplay of Physics and Geometry (With 30 Figures).- 1.1 Introduction.- 1.2 Nonrandom Fractals.- 1.3 Random Fractals: The Unbiased Random Walk.- 1.4 The Concept of a Characteristic Length.- 1.5 Functional Equations and Fractal Dimension.- 1.6 An Archetype: Diffusion Limited Aggregation.- 1.7 DLA: Fractal Properties.- 1.8 DLA: Multifractal Properties.- 1.8.1 General Considerations.- 1.8.2 "Phase Transition" in 2d DLA.- 1.8.3 The Void-Channel Model of 2d DLA Growth.- 1.8.4 Multifractal Scaling of 3d DLA.- 1.9 Scaling Properties of the Perimeter of 2d DLA: The "Glove" Algorithm.- 1.9.1 Determination of the l Perimeter.- 1.9.2 The l Gloves.- 1.9.3 Necks and Lagoons.- 1.10 Multiscaling.- 1.11 The DLA Skeleton.- 1.12 Applications of DLA to Fluid Mechanics.- 1.12.1 Archetype 1: The Ising Model and Its Variants.- 1.12.2 Archetype 2: Random Percolation and Its Variants.- 1.12.3 Archetype 3: The Laplace Equation and Its Variants.- 1.13 Applications of DLA to Dendritic Growth.- 1.13.1 Fluid Models of Dendritic Growth.- 1.13.2 Noise Reduction.- 1.13.3 Dendritic Solid Patterns: "Snow Crystals".- 1.13.4 Dendritic Solid Patterns: Growth of NH4Br.- 1.14 Other Fractal Dimensions.- 1.14.1 The Fractal Dimension dw of a Random Walk.- 1.14.2 The Fractal Dimension dmin ? 1/?? of the Minimum Path.- 1.14.3 Fractal Geometry of the Critical Path: "Volatile Fractals".- 1.15 Surfaces and Interfaces.- 1.15.1 Self-Similar Structures.- 1.15.2 Self-Affine Structures.- 1.A Appendix: Analogies Between Thermodynamics and Multifractal Scaling.- References.- 2 Percolation I (With 24 Figures).- 2.1 Introduction.- 2.2 Percolation as a Critical Phenomenon.- 2.3 Structural Properties.- 2.4 Exact Results.- 2.4.1 One-Dimensional Systems.- 2.4.2 The Cayley Tree.- 2.5 Scaling Theory.- 2.5.1 Scaling in the Infinite Lattice.- 2.5.2 Crossover Phenomena.- 2.5.3 Finite-Size Effects.- 2.6 Related Percolation Problems.- 2.6.1 Epidemics and Forest Fires.- 2.6.2 Kinetic Gelation.- 2.6.3 Branched Polymers.- 2.6.4 Invasion Percolation.- 2.6.5 Directed Percolation.- 2.7 Numerical Approaches.- 2.7.1 Hoshen-Kopelman Method.- 2.7.2 Leath Method.- 2.7.3 Ziff Method.- 2.8 Theoretical Approaches.- 2.8.1 Deterministic Fractal Models.- 2.8.2 Series Expansion.- 2.8.3 Small-Cell Renormalization.- 2.8.4 Potts Model, Field Theory, and ? Expansion.- 2.A Appendix: The Generating Function Method.- References.- 3 Percolation II (With 20 Figures).- 3.1 Introduction.- 3.2 Anomalous Transport in Fractals.- 3.2.1 Normal Transport in Ordinary Lattices.- 3.2.2 Transport in Fractal Substrates.- 3.3 Transport in Percolation Clusters.- 3.3.1 Diffusion in the Infinite Cluster.- 3.3.2 Diffusion in the Percolation System.- 3.3.3 Conductivity in the Percolation System.- 3.3.4 Transport in Two-Component Systems.- 3.3.5 Elasticity in Two-Component Systems.- 3.4 Fractons.- 3.4.1 Elasticity.- 3.4.2 Vibrations of the Infinite Cluster.- 3.4.3 Vibrations in the Percolation System.- 3.4.4 Quantum Percolation.- 3.5 ac Transport.- 3.5.1 Lattice-Gas Model.- 3.5.2 Equivalent Circuit Model.- 3.6 Dynamical Exponents.- 3.6.1 Rigorous Bounds.- 3.6.2 Numerical Methods.- 3.6.3 Series Expansion and Renormalization Methods.- 3.6.4 Continuum Percolation.- 3.6.5 Summary of Transport Exponents.- 3.7 Multifractals.- 3.7.1 Voltage Distribution.- 3.7.2 Random Walks on Percolation.- 3.8 Related Transport Problems.- 3.8.1 Biased Diffusion.- 3.8.2 Dynamic Percolation.- 3.8.3 The Dynamic Structure Model of Ionic Glasses.- 3.8.4 Trapping and Diffusion Controlled Reactions.- References.- 4 Fractal Growth (With 4 Figures).- 4.1 Introduction.- 4.2 Fractals and Multifractals.- 4.3 Growth Models.- 4.3.1 Eden Model.- 4.3.2 Percolation.- 4.3.3 Invasion Percolation.- 4.4 Laplacian Growth Model.- 4.4.1 Diffusion Limited Aggregation.- 4.4.2 Dielectric Breakdown Model.- 4.4.3 Viscous Fingering.- 4.4.4 Biological Growth Phenomena.- 4.5 Aggregation in Percolating Systems.- 4.5.1 Computer Simulations.- 4.5.2 Viscous Fingers Experiments.- 4.5.3 Exact Results on Model Fractals.- 4.5.4 Crossover to Homogeneous Behavior.- 4.6 Crossover in Dielectric Breakdown with Cutoffs.- 4.7 Is Growth Multifractal?.- 4.8 Conclusion.- References.- 5 Fractures (With 18 Figures).- 5.1 Introduction.- 5.2 Some Basic Notions of Elasticity and Fracture.- 5.2.1 Phenomenological Description.- 5.2.2 Elastic Equations of Motion.- 5.3 Fracture as a Growth Model.- 5.3.1 Formulation as a Moving Boundary Condition Problem.- 5.3.2 Linear Stability Analysis.- 5.4 Modelisation of Fracture on a Lattice.- 5.4.1 Lattice Models.- 5.4.2 Equations and Their Boundary Conditions.- 5.4.3 Connectivity.- 5.4.4 The Breaking Rule.- 5.4.5 The Breaking of a Bond.- 5.4.6 Summary.- 5.5 Deterministic Growth of a Fractal Crack.- 5.6 Scaling Laws of the Fracture of Heterogeneous Media.- 5.7 Hydraulic Fracture.- 5.8 Conclusion.- References.- 6 Transport Across Irregular Interfaces: Fractal Electrodes, Membranes and Catalysts (With 8 Figures).- 6.1 Introduction.- 6.2 The Electrode Problem and the Constant Phase Angle Conjecture.- 6.3 The Diffusion Impedance and the Measurement of the Minkowski-Bouligand Exterior Dimension.- 6.4 The Generalized Modified Sierpinski Electrode.- 6.5 A General Formulation of Laplacian Transfer Across Irregular Surfaces.- 6.6 Electrodes, Roots, Lungs,
• 6.7 Fractal Catalysts.- 6.8 Summary.- References.- 7 Fractal Surfaces and Interfaces (With 27 Figures).- 7.1 Introduction.- 7.2 Rough Surfaces of Solids.- 7.2.1 Self-Affine Description of Rough Surfaces.- 7.2.2 Growing Rough Surfaces: The Dynamic Scaling Hypothesis.- 7.2.3 Deposition and Deposition Models.- 7.2.4 Fractures.- 7.3 Diffusion Fronts: Natural Fractal Interfaces in Solids.- 7.3.1 Diffusion Fronts of Noninteracting Particles.- 7.3.2 Diffusion Fronts in d = 3.- 7.3.3 Diffusion Fronts of Interacting Particles.- 7.3.4 Fluctuations in Diffusion Fronts.- 7.4 Fractal Fluid-Fluid Interfaces.- 7.4.1 Viscous Fingering.- 7.4.2 Multiphase Flow in Porous Media.- 7.5 Membranes and Tethered Surfaces.- 7.6 Conclusions.- References.- 8 Fractals and Experiments (With 18 Figures).- 8.1 Introduction.- 8.2 Growth Experiments: How to Make a Fractal.- 8.2.1 The Generic DLA Model.- 8.2.2 Dielectric Breakdown.- 8.2.3 Electrodeposition.- 8.2.4 Viscous Fingering.- 8.2.5 Invasion Percolation.- 8.2.6 Colloidal Aggregation.- 8.3 Structure Experiments: How to Determine the Fractal Dimension.- 8.3.1 Image Analysis.- 8.3.2 Scattering Experiments.- 8.3.3 Sacttering Formalism.- 8.4 Physical Properties.- 8.4.1 Mechanical Properties.- 8.4.2 Thermal Properties.- 8.5 Outlook.- References.- 9 Cellular Automata (With 6 Figures).- 9.1 Introduction.- 9.2 A Simple Example.- 9.3 The Kauffman Model.- 9.4 Classification of Cellular Automata.- 9.5 Recent Biologically Motivated Developments.- 9.A Appendix.- 9.A.1 Q2R Approximation for Ising Models.- 9.A.2 Immunologically Motivated Cellular Automata.- 9.A.3 Hydrodynamic Cellular Automata.- References.- 10 Exactly Self-similar Left-sided Multifractals with new Appendices B and C by Rudolf H. Riedi and Benoit B. Mandelbrot (With 10 Figures).- 10.1 Introduction.- 10.1.1 Two Distinct Meanings of Multifractality.- 10.1.2 "Anomalies".- 10.2 Nonrandom Multifractals with an Infinite Base.- 10.3 Left-sided Multifractality with Exponential Decay of Smallest Probability.- 10.4 A Gradual Crossover from Restricted to Left-sided Multifractals.- 10.5 Pre-asymptotics.- 10.5.1 Sampling of Multiplicatively Generated Measures by a Random Walk.- 10.5.2 An "Effective" f(?).- 10.6 Miscellaneous Remarks.- 10.7 Summary.- 10.A Details of Calculations and Further Discussions.- 10.A.1 Solution of (10.2).- 10.A.2 The Case ?min = 0.- 10.B Multifractal Formalism for Infinite Multinomial Measures, by R.H. Riedi and B.B. Mandelbrot.- 10.C The Minkowski Measure and Its Left-sided f(?), by B.B. Mandelbrot.- 10.C.1 The Minkowski Measure on the Interval [0,1].- 10.C.2 The Functions f(?) and f?(?) of the Minkowski Measure.- 10.C.3 Remark: On Continuous Models as Approximations, and on "Thermodynamics".- 10.C.4 Remark on the Role of the Minkowski Measure in the Study of Dynamical Systems. Parabolic Versus Hyperbolic Systems.- 10.C.5 In Lieu of Conclusion.- References.
• (source: Nielsen Book Data)

Fractals and disordered systems have recently become the focus of intense interest in research. This book discusses in great detail the effects of disorder on mesoscopic scales (fractures, aggregates, colloids, surfaces and interfaces, glasses and polymers) and presents tools to describe them in mathematical language. A substantial part is devoted to the development of scaling theories based on fractal concepts. In ten chapters written by leading experts in the field, the reader is introduced to basic concepts and techniques in disordered systems and is led to the forefront of current research. This second edition has been substantially revised and updates the literature in this important field.
(source: Nielsen Book Data)

This document presents an overview of Laboratory Directed Research and Development Programs at Los Alamos. The nine technical disciplines in which research is described include materials, engineering and base technologies, plasma, fluids, and particle beams, chemistry, mathematics and computational science, atmic and molecular physics, geoscience, space science, and astrophysics, nuclear and particle physics, and biosciences. Brief descriptions are provided in the above programs.

• Master Theses Listed by Study Discipline*
• 1. Aerospace Engineering
• 2. Agricultural Economics, Sciences and Engineering
• 3. Architectural Engineering and Urban Planning
• 4. Astronomy
• 5. Astrophysics
• 6. Ceramic Engineering
• 7. Chemical Engineering
• 8. Chemistry and Biochemistry
• 9. Civil Engineering
• 10. Communications Engineering and Computer Science
• 11. Cryogenic Engineering
• 12. Electrical Engineering
• 13. Engineering Mechanics
• 14. Engineering Physics
• 15. Engineering Science
• 16. Fuels, Combustion and Air Pollution
• 17. General and Environmental Engineering
• 18. Geochemistry and Soil Science
• 19. Geological Sciences and Geophysical Engineering
• 20. Geology and Earth Science
• 21. Geophysics
• 22. Industrial Engineering and Operations Research
• 23. Irrigation Engineering
• 24. Marine and Ocean Engineering
• 25. Materials Science and Engineering
• 26. Mechanical Engineering and Bioengineering
• 27. Metallurgy
• 28. Meteorology and Atmospheric Science
• 29. Mineralogy and Petrology
• 30. Mining and Metallurgical Engineering
• 31. Missile and Space Systems Engineering
• 32. Nuclear Engineering
• 33. Nuclear Physics
• 34. Nuclear Science
• 35. Oceanography and Marine Science
• 36. Petroleum and Natural Gas Engineering
• 37. Photogrammetric and Geodetic Engineering
• 38. Physics and Biophysics
• 39. Plastics Engineering
• 40. Wood Technology, Forestry and Forest Science
• 41. Reactor Science
• 42. Sanitary Engineering, Water Pollution and Resources
• 43. Textile Technology
• 44. Transportation Engineering
• Theses without Specification of School or Department.

This series covers applicable theses published in the United States and Canada. Volume 39 covers thesis year 1994. All back volumes are still available.

• Quantum Chaos and Ergodic Theory.-
• 1. Introduction.-
• 2. Definition of Quantum Chaos.-
• 3. The Time Scales of Quantum Dynamics.-
• 4. The Quantum Steady State.-
• 5. Concluding Remarks.- References.- On the Complete Characterization of Chaotic Attractors.-
• 1. Introduction.-
• 2. Scaling Behavior.- 2.1 Scale Invariance.- 2.2 Non-unified Approach.-
• 3. Unified Approach.- 3.1 The Generalized Entropy Function.- 3.2 Hyperbolic Models with Complete Grammars.-
• 4. Extensions.- 4.1 The Need for Extensions.- 4.2 Convergence Properties.- 4.3 Nonhyperbolicity and Phase-Transitions.- 5 Conclusions.- References.- New Numerical Methods for High Dimensional Hopf Bifurcation Problems.-
• 1. Introduction.-
• 2. Static Bifurcation and Pseudo-Arclength Method.-
• 3. The Numerical Methods for Hopf Bifurcation.-
• 4. Examples.- References.- Catastrophe Theory and the Vibro-Impact Dynamics of Autonomous Oscillators.-
• 1. Introduction.-
• 2. Generalities on Vibro-Impact Dynamics.-
• 3. The Geometry of Singularity Subspaces.-
• 4. Continuity of the Poincare Map of the S/U Oscillator.- References.- Codimension Two Bifurcation and Its Computational Algorithm.-
• 1. Introduction.-
• 2. Bifurcations of Fixed Point.- 2.1 The Poincare Map and Property of Fixed Points.- 2.2 Codimension One Bifurcations.- 2.3 Codimension Two Bifurcations.-
• 3. Computational Algorithms.- 3.1 Derivatives of the Poincare Map.- 3.2 Numerical Method of Analysis.-
• 4. Numerical Examples.- 4.1 Circuit Model for Chemical Oscillation at a Water-Oil Interface.- 4.2 Coupled Oscillator with a Sinusoidal Current Source.-
• 5. Concluding Remarks.- References.- Chaos and Its Associated Oscillations in Josephson Circuits.-
• 1. Introduction.-
• 2. Model of Josephson Junction.-
• 3. Chaos in a Forced Oscillation Circuit.-
• 4. Autonomous Josephson Circuit.- 4.1 Introduction.- 4.2 Results of Calculation.-
• 5. Distributed Parameter Circuit.-
• 6. Conclusion.- References.- Chaos in Systems with Magnetic Force.-
• 1. Introduction.-
• 2. System of Two Conducting Wires.- 2.1 Formulation of Dynamical Equations.- 2.2 Analytical Procedure.- 2.3 Numerical Simulation of Chaos.-
• 3. Multi-Equilibrium Magnetoelastic Systems.- 3.1 Theoretical Models.- 3.2 Numerical Simulation.- 3.3 Experiment.-
• 4. Magnetic Levitation Systems.- 4.1 Formulation of Dynamic Equations.- 4.2 Linearization in Terms of Manifolds.- 4.3 Numerical Simulation.- 4.4 Conclusion.- References.- Bifurcation and Chaos in the Helmholtz-Duffing Oscillator.-
• 1. Mechanical System and Mathematical Model.-
• 2. Behaviour Chart and Characterization of Chaotic Response.-
• 3. Prediction of Local Bifurcations of Regular Solutions.-
• 4. Geometrical Description of System Response Using Attractor-Basin Portraits and Invariant Manifolds.-
• 5. Conclusions.- References.- Bifurcations and Chaotic Motions in Resonantly Excited Structures.-
• 1. Introduction.-
• 2. Nonlinear Structural Members.- 2.1 Strings.- 2.2 Beams.- 2.3 Cylindrical Shells and Rings.- 2.4 Plates.-
• 3. Resonant Motions of Rectangular Plates with Internal and External Resonances.- 3.1 Equations of Motion.- 3.2 Averaged Equations.- 3.3 Steady-State Constant Solutions.- 3.4 Stability Analysis of Constant Solutions.- 3.5 Periodic and Chaotic Solutions of Averaged Equations.-
• 4. Summary and Conclusions.- References.- Non-Linear Behavior of a Rectangular Plate Exposed to Airflow.-
• 1. Introduction.-
• 2. Mathematical Model.-
• 3. Threshold Determination of Periodic Oscillations.-
• 4. Dynamics Past the Hopf Bifurcation Point.-
• 5. Summary and Concluding Remarks.- References.
• (source: Nielsen Book Data)

A collection of especially written articles describing the theory and application of nonlinear dynamics to a wide variety of problems encountered in physics and engineering. Each chapter is self-contained and includes an elementary introduction, an exposition of the state of the art, as well as details of recent theoretical, computational and experimental results. Included among the practical systems analysed are: hysteretic circuits, Josephson circuits, magnetic systems, railway dynamics, rotor dynamics and nonlinear dynamics of speech. This book provides important information and ideas for all mathematicians, physicists and engineers whose work in R & D or academia involves the practical consequences of chaotic dynamics.
(source: Nielsen Book Data)

The Library Services Alliance is a unique multi-type library consortium committed to resource sharing. As a voluntary association of university and governmental laboratory libraries supporting scientific research, the Alliance has become a leader in New Mexico in using cooperative ventures to cost-effectively expand resources supporting their scientific and technical communities. During 1994, the alliance continued to expand on their strategic planning foundation to enhance access to research information for the scientific and technical communities. Significant progress was made in facilitating easy access to the on-line catalogs of member libraries via connections through the Internet. Access to Alliance resources is now available via the World Wide Web and Gopher, as well as links to other databases and electronic information. This report highlights the accomplishments of the Alliance during calendar year 1994.

• Biographical notes
• List of Publications of A.C. Zaanen
• Curriculum Vitae of A.C. Zaanen
• Another characterization of the invariant subspace problem
• Matrix Young inequalities
• Principal eigenvalues and perturbation
• Input-output operators of J-unitary time-varying continuous time systems
• Optimization without compactness, and its applications
• On a submajorization inequality of T. Ando
• Spectral theory on Banach lattices
• Disjointness preserving operators on Banach lattices
• The Daniell-Stone-Riesz representation theorem
• Diagonals of the powers of an operator on a Banach lattice
• A characterization of Lipschitz continuous evolution families on Banach spaces
• On the Vitali-Hahn-Saks theorem
• Minkowski's integral inequality for function norms
• Program of the 1993 Zaanen Symposium.

This volume is dedicated to A.C. Zaanen, one of the pioneers of functional analysis, and eminent expert in modern integration theory and the theory of vector lattices, on the occasion of his 80th birthday. The book opens with biographical notes, including Zaanen's curriculum vitae and list of publications. It contains a selection of original research papers which cover a broad spectrum of topics about operators and semigroups of operators on Banach lattices, analysis in function spaces and integration theory. Special attention is paid to the spectral theory of operators on Banach lattices; in particular, to the one of positive operators. Classes of integral operators arising in systems theory, optimization and best approximation problems, and evolution equations are also discussed. The book will appeal to a wide range of readers engaged in pure and applied mathematics.

Presented topics varied over many fields in science and engineering. Botany on grasses in California, real time face recognition technology, thermogravimetric studies on corrosion and finite element modeling of the human pelvis are examples of discussed subjects. Further fields of study are carcinogenics, waste management, radar imaging, automobile accessories, document searching on the internet, and shooting stars. Individual papers are indexed separately on EDB.

• 1. Principles of Formation of the Atomic Structure of Crystals
• 2. Principal Types of Crystal Structures
• 3. Band Energy Structure of Crystals
• 4. Lattice Dynamics and Phase Transitions
• 5. The Structure of Real Crystals
• 6. Advances in Structural Crystallography
• References.

Modern Crystallography provides an encyclopedic exposition of the field in four volumes written by Russian scientists. Structures of Crystals describes the ideal and real atomic structure of crystals as well as their electronic structures. The fundamentals of chemical bonding between atoms are given, and geometric representations in the theory of crystal structure and crystal chemistry, as well as lattice energy, are considered. The important classes of crystal structures in inorganic compounds as well as the structure polymers, liquid crystals, biological crystals, and macromolecules are treated. This second edition is complemented with recent data on many types of crystal structures - fullerenes, high-temperature superconductors, minerals, liquid crystals, etc.

The panels of the 1992 Science Careers in Search of Women Conference consisted of a diverse group of women: undergraduate and graduate students, engineers, a director of college admissions, a professor of microbiology, and leaders of small and large companies. Each panelist shared valuable information and answered questions that many high school students have concerning college and the years beyond. One issue that was focused on was preparation for college. Several speakers emphasized the importance of students themselves taking the initiative to collect information on colleges and career programs. The college admissions officer advised that specific questions about admissions requirements be directed to a senior person in the office who actually makes decisions on admissions. She stressed the importance of establishing an interaction that could provide recognition for the student when the admissions officer is reviewing applications from a large pool of candidates. She also emphasized the importance of studying for standardized tests. Speakers discussed the advantages of enrolling in higher-level math and science classes and taking Advanced Placement courses when they are available. Once a student has enrolled in a college or university, it is time to focus on choosing a major and identifying career interests and options. Graduate school was identified as much less classroom-oriented than undergraduate studies. A student conducts research with guidance from an advisor and attends lectures and seminars, which often times present information related to the research project she is working on. Tuition is usually paid for by universities, especially in the science and engineering fields, often in return for a teaching or research assistant position.

• 1 A Survey on Computational Optimal Control
• Issues in the Direct Transcription of Optimal Control Problems to Sparse Nonlinear Programs
• Optimization in Control of Robots
• Large-scale SQP Methods and their Application in Trajectory Optimization
• Solving Optimal Control and Pursuit-Evasion Game Problems of High Complexity
• 2 Theoretical Aspects of Optimal Control and Nonlinear Programming
• Continuation Methods In Boundary Value Problems
• Second Order Optimality Conditions for Singular Extremals
• Synthesis of Adaptive Optimal Controls for Linear Dynamic Systems
• Control Applications of Reduced SQP Methods
• Time Optimal Control of Mechanical Systems
• 3 Algorithms for Optimal Control Calculations
• Second Order Algorithm for Time Optimal Control of a Linear System
• An SQP-type Solution Method for Constrained Discrete-Time Optimal Control Problems
• Numerical Methods for Solving Differential Games, Prospective Applications to Technical Problems
• Construction of the Optimal Feedback Controller for Constrained Optimal Control Problems with Unknown Disturbances
• Repetitive Optimization for Predictive Control of Dynamic Systems under Uncertainty
• Optimal Control of Multistage Systems Described by High-Index Differential-Algebraic Equations
• A New Class of a High Order Interior Point Method for the Solution of Convex Semiinfinite Optimization Problems
• A Structured Interior Point SQP Method for Nonlinear Optimal Control Problems
• 4 Software for Optimal Control Calculations
• Automated Approach for Optimizing Dynamic Systems
• ANDECS: A Computation Environment for Control Applications of Optimization
• Application of Automatic Differentiation to Optimal Control Problems
• OCCAL: A mixed symbolic-numeric Optimal Control CALculator
• 5 Applications of Optimal Control
• A Robotic Satellite with Simplified Design
• Nonlinear Control under Constraints of a Biological System
• An Object-Oriented Approach to Optimally Describe and Specify a SCADA System Applied to a Power Network
• Near-Optimal Flight Trajectories Generated by Neural Networks
• Performance of a Feedback Method with Respect to Changes in the Air-Density during the Ascent of a Two-Stage-To-Orbit Vehicle
• Linear Optimal Control for Reentry Flight
• Steady-State Modelling of Turbine Engine with Controllers
• Shortest Paths for Satellite Mounted Robot Manipulators
• Optimal Control of the Industrial Robot Manutec r3.

This volume reflects the state of the art in the application of finite and infinite dimensional optimization to open and closed loop control problems. It ranges from theoretical foundations of the proposed methods and numerical implementations of algorithms, to applications, and real world problems. Emphasis lies on the solution of practical industrial problems in aerospace, mechanical and electrical engineering, manufacturing technology, and economic and management systems. Amongst the theoretical papers are contributions from nonlinear programming (interior point methods, large structured problems, nonsmooth problems and vector-valued criteria) and optimal control (multipoint boundary value problems, state and control constraints, feedback solutions, differential-algebraic systems and differential games).
(source: Nielsen Book Data)

This issue highlights the Lawrence Livermore National Laboratory`s 1993 accomplishments in our mission areas and core programs: economic competitiveness, national security, energy, the environment, lasers, biology and biotechnology, engineering, physics, chemistry, materials science, computers and computing, and science and math education. Secondary topics include: nonproliferation, arms control, international security, environmental remediation, and waste management.

• 1. Statements and Use of Inverse Problems in Studying Heat Transfer Processes and Designing Engineering Units.- 1.1 Introduction to the problem.- 1.2 Simulation of Heat Transfer Processes.- 1.3 Inverse Heat Transfer Problems (IHTP).- 1.4 Practical Applications and the Role of Inverse Problems in Thermal Investigations.- 1.5 The Contents and Structure of the Book.- 1.6 Summary.-
• 2. Analysis of Statements and Solution Methods for Inverse Heat Transfer Problems.- 2.1 Inverse Problems Formulation and Stability of Their Solution.- 2.2 Existence of Inverse Problem Solutions.- 2.3 Uniqueness of Solution of Inverse Heat Conduction Problems.- 2.4 Degree of Instability of a Boundary Inverse Heat Conduction Problem..- 2.5 Conditionally-Well-Posed Statement of Inverse Problems.- 2.6 Regularization Principles of Ill-Posed Inverse Problem Solutions.- 2.7 Summary.-
• 3. Analytical Forms of Boundary Inverse Heat Conduction Problems.- 3.1 Determination of Transient Boundary Conditions in a One-dimensional Case.- 3.2 Recovery of Boundary Conditions with a Differential Method of Measurement.- 3.3 Analytical Forms of Multidimensional Inverse Problems.- 3.4 Statement of a Two-Dimensional Inverse Problem.- 3.5 Fictitious Boundary Method for Solving Inverse Boundary Problems.- 3.6 Summary.-
• 4. Direct Algebraic Method of Determining Transient Heat Loads.- 4.1 The Recurrent Algorithm Construction.- 4.2 The Boundary Condition Recoverability.- 4.3 Step Regularization Principle and Limits of Method Applicability.- 4.4 The Solution of an Inverse Heat Conduction Problem Using Some Other Methods of Approximation and with Disturbed Data.- 4.5 Algorithmic Presentation of a Two-Dimensional Inverse Heat Conduction Problem.- 4.6 Summary.-
• 5. Solution of Boundary Inverse Heat Conduction Problems by Direct Numerical Methods.- 5.1 Construction of Difference Algorithms.- 5.2 Stability Criterion of the Difference Method for Solving a Boundary Inverse Problem.- 5.3 Investigation into the Stability of Numerical Solution for Inverse Problems.- 5.4 An Implicit Scheme for Inverse Problem Numerical Solution.- 5.5 Artificial Hyperbolization of the Heat Conduction Equation in Solving a Boundary Inverse Problem.- 5.6 Summary.-
• 6. The Extremal Formulations and Methods of Solving Inverse Heat Conduction Problems.- 6.1 A Boundary Inverse Problem in the Extremal Statement.- 6.2 The Iterative Regularization Principle.- 6.3 Parametric Optimization in Solving Inverse Problems.- 6.4 Gradient Methods of Parametric Optimization.- 6.5 Functional Optimization in Inverse Problems.- 6.6 The Selection of Approximate Solution and the General Appraisement of Gradient Methods.- 6.7 Iterative Algorithms for Solving a Linear Inverse Problem.- 6.8 Experimental Investigation of Algorithms.- 6.9 Numerical Determination of Heat Loads Under Varying Thermophysical Properties of the Body.- 6.10 Solution of a Non-Linear Inverse Problem in Statement II.- 6.11 The Iteration Technique of Determining Non-Stationary Heat Loads in the Two-Dimensional Case.- 6.12 Summary.-
• 7. Regularization of Variational Forms of Inverse Heat Conduction Problems.- 7.1 The Regularized Form of Inverse Problems.- 7.2 The Construction of a Regularizing Operator.- 7.3 Regularization of the Inverse Problem Finite-dimensional Form.- 7.4 The Admissible Degree of Smoothing and Approximation Sampling Procedures.- 7.5 The Reconstruction Accuracy Analysis of Boundary Heat Conditions.- 7.6 By-Interval Regularization of a Nonlinear Inverse Problem.- 7.7 Regularized Continuation of the Solution of a Nonlinear Heat Conduction Equation.- 7.8 The Regularization of a Two-Dimensional Inverse Problem.- 7.9 Summary.-
• 8. Iterative Regularization of Inverse Problems.- 8.1 On the Rigorous Basis of the Iterative Regularization.- 8.2 General Formulation and Integral Forms of Linear Inverse Heat Conduction Problems. Gradient of the Residual Functional.- 8.3 The General Formulation of Nonlinear IHCP. The Problem for an Increment of Temperature Field.- 8.4 Adjoint Problems and Gradient of a Functional.- 8.5 Gradient Algorithms with Regard to a Priori Information.- 8.6 Examples of the Construction of the Algorithms for the Solution of Inverse Problems.- 8.7 Computational Experiments.- 8.8 Summary.- Conclusion.- Additional Bibliography.
• (source: Nielsen Book Data)

This research monograph presents a systematic treatment of the theory of the propagation of transient electromagnetic fields (such as optical pulses) through dielectric media which exhibit both dispersion a.nd absorption. The work divides naturally into two parts. Part I presents a summary of the fundamental theory of the radiation and propagation of rather general electromagnetic waves in causal, linear media which are homogeneous and isotropic but which otherwise have rather general dispersive and absorbing properties. In Part II, we specialize to the propagation of a plane, transient electromagnetic field in a homogeneous dielectric. Although we have made some contributions to the fundamental theory given in Part I, most of the results of our own research appear in Part II. The purpose of the theory presented in Part II is to predict and to explain in explicit detail the dynamics of the field after it has propagated far enough through the medium to be in the mature-dispersion regime. It is the subject of a classic theory, based on the research conducted by A. Sommerfeld and L.
(source: Nielsen Book Data)

This report is compiled from annual reports submitted by principal investigators following the close of fiscal year 1993. This report describes the projects supported and summarizes their accomplishments. The program advances the Laboratory`s core competencies, foundations, scientific capability, and permits exploration of exciting new opportunities. Reports are given from the following divisions: Accelerator and Fusion Research, Chemical Sciences, Earth Sciences, Energy and Environment, Engineering, Environment -- Health and Safety, Information and Computing Sciences, Life Sciences, Materials Sciences, Nuclear Science, Physics, and Structural Biology. (GHH)

• Circuit Simulation
• A new efficient numerical integration scheme for highly oscillatory electric circuits
• Numerische Lösung von hierarchisch strukturierten Systemen von Algebro-Differentialgleichungen
• Partitioning and multirate strategies in latent electric circuits
• Circuit simulation
• an application for parallel ODE solvers?
• Numerical stability criteria for differential-algebraic systems
• Analysis of linear time-invariant networks in the frequency domain
• Limit cycle computation of oscillating electric circuits
• Timestep control for charge conserving integration in circuit simulation
• Ein Zusammenhang zwischen Waveformrelaxation und Iterationsverfahren für nichtlinear gestörte Gleichungen
• Multilevel-Newton-Verfahren in der Transientenanalyse elektrischer Netzwerke
• Transientensimulation elektrischer Netwerke mit TRBDF
• The transient behavior of an oscillator
• Device Simulation
• Numerical simulation of the carrier transport in semiconductor devices on the base of an energy model
• On uniqueness of solutions to the drift-diffusion-model of semiconductor devices
• On restrictions for discretizations of the simplified linearized van Roosbroeck's equations
• Mixed finite element discretization of continuity equations arising in semiconductor device simulation
• A piecewise linear Petrov-Galerkin analysis of the box-method
• Stability analysis of thermocapillary convection in semiconductor crystal growth
• The method of Baliga-Patankar and 3-D device simulation
• A mass conserving moving grid method for dopant simulation
• Numerical approaches to the kinetic semiconductor equations
• The non-stationary semiconductor model with bounded convective velocity and generation/recombination term.

Progress in today's high-technology industries is strongly associated with the development of new mathematical tools. A typical illustration of this partnership is the mathematical modelling and numerical simulation of electric circuits and semiconductor devices. At the second Oberwolfach conference devoted to this important and timely field, scientists from around the world, mainly applied mathematicians and electrical engineers from industry and universities, presented their new results. Their contributions, forming the body of this work, cover electric circuit simulation, device simulation and process simulation. Discussions on experiences with standard software packages and improvements of such packages are included. In the semiconductor area special lectures were given on new modelling approaches, numerical techniques and existence and uniqueness results. In this connection, mention is made, for example, of mixed finite element methods, an extension of the Baliga-Patankar technique for a three dimensional simulation, and the connection between semiconductor equations and the Boltzmann equations.

• 1 Matrices: Definitions and Fundamental Operations
• Fundamental Matrix Operations
• Linear Algebra
• Eigenvalues
• Linear Transformations
• Rotation of Axes
• The Metrie Tensor
• 2 Symmetry of Finite Objects
• Groups
• Representations
• Point Groups
• Basis Functions
• 3 Symmetry of Infinitely Repeated Patterns
• Bravais Lattices
• Space Groups
• 4 Vectors
• Scalar and Vector Products
• The Reciprocal Lattice
• The Orientation Matrix
• Zones and Forms
• Sublattices and Superlattices
• 5 Tensors
• Covariance and Contravariance
• The Multivariate Normal Disribution
• Anisotropic Atomic Displacement Factors
• The Equivalent Isotropic Temperature Factor
• Effect of Symmetry
• Tensors of Higher Ranks
• Moments and Cumulants
• Rigid Body Motion
• 6 Data Fitting
• Fitting Functions
• Finding the Minimum
• False Minima
• 7 Estimation of Uncertainty
• Estimates
• The Precision of Estimates of Precision
• Models with More than One Parameter
• Estimates of Precision When the Model Is Not Least Squares
• 8 Significance and Accuracy
• The F Distribution
• Student's t Distribution
• Correlation
• Relationship Between Precision and Accuracy
• Uncertainties of Derived Functions
• The Projection Matrix
• 9 Constrained Crystal Structure Refinement
• The Observed Data
• The Model
• The General Form for a Constrained Model
• Shape Constraints
• Rigid Body Thermal Motion Constraints
• Chemical Constraints
• Representing non-Gaussian Distributions
• 10 The Fast Fourier Transform
• The Discrete Fourier Transform
• The Good-Thomas Algorithm
• The Cooley-Tukey Algorithm
• Prime Numbers
• FFTs for Real Sequences
• Space Group Symmetry
• Appendix A Stereographic Projection
• Appendix B Eigenvalues and Eigenvectors of 3 × 3 Symmetric Matrices
• Appendix C Sublattices and Superlattices
• Appendix D The Probability Integral, the Gamma Function, and Related Topics
• Appendix E The Harmonie Oscillator in Quantum Mechanics: Bloch's Theorem
• Appendix F Symmetry Restrictions on Seeond, Third, and Fourth Rank Tensors
• Appendix G Some Useful Computer Programs.

Crystallographers have to apply many mathematical methods in their daily work. If ever they have a problem, this book will help to solve it. The newcomer starting work will learn how to apply these tools, the practicing crystallographer will find all the data and background material he wants to look up. In the decade since the first edition was published, new things have happened that required revision beyond correction of errors. Two chapters have been added: a section on the projection matrix and another on fast Fourier Transform. The author collected the information during his professional career. The success of the first edition indicates that many other practicing crystallographers just need exactly that information.

• I Invited Papers
• 1 On Robust and Adaptive Multi-Grid Methods
• 2 A Generalized Multigrid Theory in the Style of Standard Iterative Methods
• 3 Turbulence Modelling as a Multi-Level Approach
• 4 The Frequency Decomposition Multi-Grid Method
• 5 Multiscale Methods for Computing Propagators in Lattice Gauge Theory
• 6 Adaptive Multigrid on Distributed Memory Computers
• 7 Multicomputer-Multigrid Solution of Parabolic Partial Differential Equations
• 8 Multilevel Solution of Integral and Integro-differential Equations in Contact Mechanics and Lubrication
• Contributed Papers
• 1 A Multi-Grid Method for Calculation of Turbulence and Combustion
• 2 On a Multi-Grid Algorithm for the TBA Equations
• 3 A Multidimensional Upwind Solution Adaptive Multigrid Solver for Inviscid Cascades
• 4 Parallel Steady Euler Calculations using Multigrid Methods and Adaptive Irregular Meshes
• 5 Multigrid Methods for Steady Euler Equations Based on Multi-stage Jacobi Relaxation
• 6 Multigrid and Renormalization for Reservoir Simulation
• 7 Interpolation and Related Coarsening Techniques for the Algebraic Multigrid Method
• 8 Parallel Point-oriented Multilevel Methods
• 9 Large Discretization Step (LDS) Methods For Evolution Equations
• 10 A Full Multigrid Method Applied to Turbulent Flow using the SIM-PLEC Algorithm Together with a Collocated Arrangement
• 11 Multigrid Methods for Mixed Finite Element Discretizations of Variational Inequalities
• 12 Multigrid with Matrix-dependent Transfer Operators for Convection-diffusion Problems
• 13 Multilevel, Extrapolation, and Sparse Grid Methods
• 14 Robust Multi-grid with 7-point ILU Smoothing
• 15 Optimal Multigrid Method for Inviscid Flows
• 16 Multigrid Techniques for Simple Discretely Divergence-free Finite Element Spaces
• 17 Grid-independent Convergence Based on Preconditioning Techniques
• 18 A New Residual Smoothing Method for Multigrid Acceleration Applied to the Navier-Stokes Equations.

The past twenty years have shown a rapid growth in the theoretical understanding, useful applications and widespread acceptance of multigrid in the applied sciences, and new tasks continue to arise that are better addressed from a special multigrid point of view. These developments have served to make multigrid one of the key techniques in modern computing methods. Most prominent among the new issues are parallel computing and adaptive computations. Multigrid methods also have considerable impact on computational fluid dynamics. This influence is reflected in the present, carefully screened selection of contributions presented at the Fourth European Multigrid Conference in Amsterdam in 1993, all of which reflect the latest developments in this dynamic field.

This publication is a collection of articles generated as a result of the fall 1994 Science and Engineering Research Semester program at Lawrence Livermore Laboratory. Research titles include: electrochemical cells in the reduction of hexavalent chromium; an automated system for studying the power distribution of electron beams; the mapping of novel genes to human chromosome 19; bolometer analysis comparisons; design and implementation of the LLNL Gigabit Testbed; in vitro synthesis and purification of PhIP-Deoxyguanosine and PhIP-DNA Covalent Complexes; pre-thymic somatic mutation leads to high mutant frequency hypoxanthine-guanine phosphoribosyl transferase gene; characterization of thin film multi-layers with magnetization curves and modeling of low angle X-ray diffraction data; total least squares; determining the water content of the Geysers Graywacke of northern California; a general approach to sharing data between scientific representations; nanomechanical properties of SiC thin films grown from C₆₀ precursors; advanced information technology, a tool set for building clean database applications; the design of an automated electrolytic enrichment procedure for tritium; fluvial terrace dating using in-situ cosmogenic ²¹Ne; computer- aided mapping of stream channels beneath the Lawrence Livermore National Laboratory, Livermore, CA; X-ray spectroscopic technique for energetic electron transport studies in short-pulse laser/plasma interactions. Separate entries have been put in the energy data base for articles from this report. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database.

The purpose of this plan is to document Lawrence Livermore National Laboratory (LLNL) projections for present and future waste minimization and pollution prevention. The plan specifies those activities and methods that are or will be used to reduce the quantity and toxicity of wastes generated at the site. It is intended to satisfy Department of Energy (DOE) requirements. This Plan provides an overview of projected activities from FY 1994 through FY 1999. The plans are broken into site-wide and problem-specific activities. All directorates at LLNL have had an opportunity to contribute input, to estimate budget, and to review the plan. In addition to the above, this plan records LLNL`s goals for pollution prevention, regulatory drivers for those activities, assumptions on which the cost estimates are based, analyses of the strengths of the projects, and the barriers to increasing pollution prevention activities.

The 1993 edition of Lawrence Berkeley Laboratory`s Catalog of Research Abstracts is a comprehensive listing of ongoing research projects in LBL`s ten research divisions. Lawrence Berkeley Laboratory (LBL) is a major multi-program national laboratory managed by the University of California for the US Department of Energy (DOE). LBL has more than 3000 employees, including over 1000 scientists and engineers. With an annual budget of approximately $250 million, LBL conducts a wide range of research activities, many that address the long-term needs of American industry and have the potential for a positive impact on US competitiveness. LBL actively seeks to share its expertise with the private sector to increase US competitiveness in world markets. LBL has transferable expertise in conservation and renewable energy, environmental remediation, materials sciences, computing sciences, and biotechnology, which includes fundamental genetic research and nuclear medicine. This catalog gives an excellent overview of LBL`s expertise, and is a good resource for those seeking partnerships with national laboratories. Such partnerships allow private enterprise access to the exceptional scientific and engineering capabilities of the federal laboratory systems. Such arrangements also leverage the research and development resources of the private partner. Most importantly, they are a means of accessing the cutting-edge technologies and innovations being discovered every day in our federal laboratories.

• Content.- 1 Neighborhood Structures.- 1.1 Finite Graphs.- 1.1.1 Historical Remarks.- 1.1.2 Elementary Theory of Sets and Relations.- 1.1.3 Elementary Graph Theory.- 1.2 Neighborhood Graphs.- 1.2.1 Graph Theory and Image Processing.- 1.2.2 Points, Edges, Paths, and Regions.- 1.2.3 Matrices of Adjacency.- 1.2.4 Graph Distances.- 1.3 Components in Neighborhood Structures.- 1.3.1 Search in Graphs and Labyrinths.- 1.3.2 Neighborhood Search.- 1.3.3 Graph Search in Images.- 1.3.4 Neighbored Sets and Separated Sets.- 1.3.5 Component Labeling.- 1.4 Dilatation and Erosion.- 1.4.1 Metric Spaces.- 1.4.2 Boundaries and Cores in Neighborhood Structures.- 1.4.3 Set Operations and Set Operators.- 1.4.4 Dilatation and Erosion.- 1.4.5 Opening and Closing.- 2 Incidence Structures.- 2.1 Homogeneous Incidence Structures.- 2.1.1 Topological Problems.- 2.1.2 Cellular Complexes.- 2.1.3 Incidence Structures.- 2.1.4 Homogeneous Incidence Structures.- 2.1.5 Zn as Incidence Structure.- 2.2 Oriented Neighborhood Structures.- 2.2.1 Orientation of a Neighborhood Structure.- 2.2.2 Euler Characteristic of a Neighborhood Structure.- 2.2.3 Border Meshes and Separation Theorem.- 2.2.4 Search in Oriented Neighborhood Structures.- 2.2.5 Coloring in Oriented Neighborhood Structures.- 2.3 Homogeneous Oriented Neighborhood Structures.- 2.3.1 Homogeneity in Neighborhood Structures.- 2.3.2 Toroidal Nets.- 2.3.3 Curvature of Border Meshes in Toroidal Nets.- 2.3.4 Planar Semi-Homogeneous Graphs.- 2.4 Objects in N-Dimensional Incidence Structures.- 2.4.1 Three-Dimensional Homogeneous Incidence Structures.- 2.4.2 Objects in Zn.- 2.4.3 Similarity of Objects.- 2.4.4 General Surface Formulas.- 2.4.5 Interpretation of Object Characteristics.- 3 Topological Laws and Properties.- 3.1 Objects and Surfaces.- 3.1.1 Surfaces in Discrete Spaces.- 3.1.2 Contur Following as Two-Dimensional Boundary Detection.- 3.1.3 Three-Dimensional Surface Detection.- 3.1.4 Curvature of Conturs and Surfaces.- 3.2 Motions and Intersections.- 3.2.1 Motions of Objects in Zn.- 3.2.2 Count Measures and Intersections of Objects.- 3.2.3 Applications of Intersection Formula.- 3.2.4 Count Formulas.- 3.2.5 Stochastic Images.- 3.3 Topology Preserving Operations.- 3.3.1 Topological Equivalence.- 3.3.2 Simple Points.- 3.3.3 Thinning.- 4 Geometrical Laws and Properties.- 4.1 Discrete Geometry.- 4.1.1 Geometry and Number Theory.- 4.1.2 Minkowski Geometry.- 4.1.3 Translative Neighborhood Structures.- 4.1.4 Digitalization Effects.- 4.2 Straight Lines.- 4.2.1 Rational Geometry.- 4.2.2 Digital Straight Lines in Z2.- 4.2.3 Continued Fractions.- 4.2.4 Straight Lines in Zn.- 4.3 Convexity.- 4.3.1 Convexity in Discrete Geometry.- 4.3.2 Maximal Convex Objects.- 4.3.3 Determination of Convex Hull.- 4.3.4 Convexity in Zn.- 4.4 Approximative Motions.- 4.4.1 Pythagorean Rotations.- 4.4.2 Shear Transformations.- 4.3.3 General Affine Transformations.- 5 Discrete Functions.- 5.1 One-Dimensional Periodical Discrete Functions.- 5.1.1 Functions.- 5.1.2 Space of Periodical Discrete Function.- 5.1.3 LSI-Operators and Convolutions.- 5.1.4 Products of Linear Operators.- 5.2 Algebraic Theory of Discrete Functions.- 5.2.1 Domain of Definition and Range of Values.- 5.2.2 Algebraical Structures.- 5.2.3 Convolution of Functions.- 5.2.4 Convolution Orthogonality.- 5.3 Orthogonal Convolution Bases.- 5.3.1 General Properties in OCB's.- 5.3.2 Fourier Transform.- 5.3.3 Number Theoretical Transforms.- 5.3.4 Two-Dimensional NTT.- 5.4 Inversion of Convolutions.- 5.4.1 Conditions for Inverse Elements.- 5.4.2 Deconvolutions and Texture Synthesis.- 5.4.3 Approximative Computation of Inverse Elements.- 5.4.4 Theory of Approximative Inversion.- 5.4.5 Examples of Inverse Filters.- 5.5 Differences and Sums of Functions.- 5.5.1 Differences of One-Dimensional Discrete Functions.- 5.5.2 Difference Equations and Z-Transform.- 5.5.3 Sums of Functions.- 5.5.4 Bernoulli's Polynomials.- 5.5.5 Determination of Moments.- 5.5.6 Final Comments.- 6 Summary and Symbols.- 7 References.- 8 Index.
• (source: Nielsen Book Data)

Man wird dem einzelnen nicht gerecht, wenn man es gesondert ins Auge jaftt, ohne seinen Zusammenhang mit dem Ganzen zu beachten und dem Beziehungssystem Rechnung zu tragen, in dem es steht. Thomas Mann Science in general, as well as in each of its individual fields, is a part of human culture. In that sense, this book aims to contribute to uncovering a small part of the connections and relationships which bind image processing, categorized in informatics and technology, with the knowledge accumulated over the years on discrete structures. How does one consider problems, models, mathematical methods and prac- tical applications? How does the search for ideas and the endeavour for know- ledge in the original work of scientists find expression? Is there something to be learnt from science to date for future developments? Such questions have shaped the content and style of this book. Substantial impetus to the discrete theory of image processing was afforded by the work of Rosenfeld and colleagues. Other fruitful sources of ideas con- sidered here are number theoretical problems (GauB, Minkowski) and integral geometric investigations (Blaschke, Santalo). Since the beginning of the 1980s I have strived to build upon these ideas a unified mathematical representation of discrete image processing working together with R.K1ette and P.Hufnagl.
(source: Nielsen Book Data)