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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.

• 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.
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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)

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.

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.

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.

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.

• 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.

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.