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Book
1 online resource (Article No. 13945 ): digital, PDF file.
Here, IRMOF-74 analogues are among the most widely studied metal-organic frameworks (MOFs) for adsorption applications because of their one-dimensional channels and high metal density. Most studies involving the IRMOF-74 series assume that the crystal lattice is rigid. This assumption guides the interpretation of experimental data, as changes in the crystal symmetry have so far been ignored as a possibility in the literature. Here, we report a deformation pattern, induced by the adsorption of argon, for IRMOF-74-V. This work has two main implications. First, we use molecular simulations to demonstrate that the IRMOF-74 series undergoes a deformation that is similar to the mechanism behind breathing MOFs, but is unique because the deformation pattern extends beyond a single unit cell of the original structure. Second, we provide an alternative interpretation of experimental small-angle X-ray scattering profiles of these systems, which changes how we view the fundamentals of adsorption in this MOF series.
The present invention provides an adsorbent catalytic nanoparticle including a mesoporous silica nanoparticle having at least one adsorbent functional group bound thereto. The adsorbent catalytic nanoparticle also includes at least one catalytic material. In various embodiments, the present invention provides methods of using and making the adsorbent catalytic nanoparticles. In some examples, the adsorbent catalytic nanoparticles can be used to selectively remove fatty acids from feedstocks for biodiesel, and to hydrotreat the separated fatty acids.
Book
1 online resource (8.7 MB ): digital, PDF file.
The actuator line method to represent rotor aerodynamics within computational fluid dynamics has been in use for over a decade. This method applies a body force to the flow field along rotating lines corresponding to the individual rotor blades and employs tabular airfoil data to compute the force distribution. The actuator line method is attractive because compared to blade-resolved simulations, the required mesh is much simpler and the computational cost is lower. This work proposes a higher fidelity variant of the actuator line method meant to fill the space between current actuator line and blade-resolved simulations. It contains modifications in two key areas. The first is that of freestream velocity vector estimation along the line, which is necessary to compute the lift and drag along the line using tabular airfoil data. Most current methods rely on point sampling in which the location of sampling is ambiguous. Here we test a velocity sampling method that uses a properly weighted integral over space, removing this ambiguity. The second area of improvement is the function used to project the one-dimensional actuator line force onto the three-dimensional fluid mesh as a body force. We propose and test a projection function that spreads the force over a region that looks something like a real blade with the hope that it will produce the blade local and near wake flow features with more accuracy and higher fidelity. Our goal is that between these two improvements, not only will the flow field predictions be enhanced, but also the spanwise loading will be made more accurate. We refer to this combination of improvements as the advanced actuator line method. We apply these improvements to two different wind turbine cases. Although there is a strong wind energy motivation in our work, there is no reason these advanced actuator line ideas cannot be used in other applications, such as helicopter rotors.
Book
1 online resource (13 p.) : digital, PDF file.
The focus of the project is the development of mathematical methods and high-performance computational tools for stochastic simulations, with a particular emphasis on computations on extreme scales. The core of the project revolves around the design of highly efficient and scalable numerical algorithms that can adaptively and accurately, in high dimensional spaces, resolve stochastic problems with limited smoothness, even containing discontinuities.
Book
1 online resource (37 p.) : digital, PDF file.
Transmission electron microscopy (TEM) has become one of the most powerful techniques in the fields of material science, inorganic chemistry and nanotechnology. In terms of resolutions, advanced TEM may reach a high spatial resolution of 0.05 nm, a high energy-resolution of 7 meV. In addition, <i>in situ</i> TEM can help researcher to image the process happened within 1 ms. This paper reviews the recent technical approaches of applying advanced TEM characterization on nanomaterials for catalysis. The text is organized according to the demanded information of nanocrystals from the perspective of application: for example, size, composition, phase, strain, and morphology. The electron beam induced effect and in situ TEM are also introduced. As a result, I hope this review can help the scientists in related fields to take advantage of advanced TEM to their own researches.
Book
1 online resource (107 p.) : digital, PDF file.
This report describes the results of laboratory testing of advanced photovoltaic (PV) inverter testing undertaken by the National Renewable Energy Laboratory (NREL) on behalf of the Florida Power and Light Company (FPL). FPL recently commissioned a 1.1 MW-AC PV installation on a solar carport at the Daytona International Speedway in Daytona Beach, Florida. In addition to providing a source of clean energy production, the site serves as a live test bed with 36 different PV inverters from eight different manufacturers. Each inverter type has varied support for advanced grid support functions (GSFs) that are becoming increasingly commonplace, and are being required through revised interconnection standards such as UL1741, IEEE1547, and California (CA) Rule 21. FPL is interested in evaluating the trade-offs between different GSFs, their compliance to emerging standards, and their effects on efficiency and reliability. NREL has provided a controlled laboratory environment to undertake such a study. This work covered nine different classes of tests to compare inverter capabilities and performance for four different inverters that were selected by FPL. The test inverters were all three-phase models rated between 24-36 kW, and containing multiple PV input power point trackers. Advanced grid support functions were tested for functional behavior, and included fixed power factor operation, voltage-ride through, frequency ride-through, volt-var control, and frequency-Watt control. Response to abnormal grid conditions with GSFs enabled was studied through anti-islanding, fault, and load rejection overvoltage tests. Finally, efficiency was evaluated across a range of operating conditions that included power factor, output power, and input voltage variations. Test procedures were derived from requirements of a draft revision of UL741, CA Rule 21, and/or previous studies at NREL. This reports summarizes the results of each test case, providing a comparative performance analysis between the four test inverters. Inverters were mostly able to meet the requirements of their stated GSF capabilities, with deviations from expected results discussed throughout the report. There were mixed results across the range of abnormal tests, and results were often dependent on the capability of each test inverter to deploy the GSFs of interest. Detailed test data has been provided to FPL to support future decision making with respect to inverter selection and GSF deployment in the field.
Book
1 online resource (iv, 70 pages) : color illustrations
Book
1 online resource (Article No. 14283 ): digital, PDF file.
There has been some interest in aluminium ion batteries with aluminium anodes, graphite cathodes and ionic liquid electrolytes has increased; however, much remains to be done to increase the cathode capacity and to understand details of the anion–graphite intercalation mechanism. An aluminium ion battery cell made using pristine natural graphite flakes achieves a specific capacity of B110 mAhg<sup>-1</sup> with Coulombic efficiency B98%, at a current density of 99mAg<sup>-1</sup> (0.9 C) with clear discharge voltage plateaus (2.25–2.0 V and 1.9–1.5 V). The cell has a capacity of 60mAhg<sup>-1</sup> at 6 C, over 6,000 cycles with Coulombic efficiency B 99%. Raman spectroscopy shows two different intercalation processes involving chloroaluminate anions at the two discharging plateaus, while C–Cl bonding on the surface, or edges of natural graphite, is found using X-ray absorption spectroscopy. Lastly, theoretical calculations are employed to investigate the intercalation behaviour of choloraluminate anions in the graphite electrode.
A process includes casting a solution including poly(phenylene oxide), inorganic nanoparticles, a solvent, and a non-solvent on a substrate; and removing the solvent to form a porous film; wherein: the porous film is configured for use as a porous separator for a lithium ion battery.
Book
1 online resource (22 p.) : digital, PDF file.
This presentation describes the Advanced Virtual Frisch-Grid ASIC (AVG-ASIC) and its function.
Book
1 online resource (47 p.) : digital, PDF file.
This report presents results from the DOE-sponsored workshop titled, ``Advancing X-Cutting Ideas for Computational Climate Science Workshop, '' known as AXICCS, held on September 12--13, 2016 in Rockville, MD. The workshop brought together experts in climate science, computational climate science, computer science, and mathematics to discuss interesting but unsolved science questions regarding climate modeling and simulation, promoted collaboration among the diverse scientists in attendance, and brainstormed about possible tools and capabilities that could be developed to help address them. Emerged from discussions at the workshop were several research opportunities that the group felt could advance climate science significantly. These include (1) process-resolving models to provide insight into important processes and features of interest and inform the development of advanced physical parameterizations, (2) a community effort to develop and provide integrated model credibility, (3) including, organizing, and managing increasingly connected model components that increase model fidelity yet complexity, and (4) treating Earth system models as one interconnected organism without numerical or data based boundaries that limit interactions. The group also identified several cross-cutting advances in mathematics, computer science, and computational science that would be needed to enable one or more of these big ideas. It is critical to address the need for organized, verified, and optimized software, which enables the models to grow and continue to provide solutions in which the community can have confidence. Effectively utilizing the newest computer hardware enables simulation efficiency and the ability to handle output from increasingly complex and detailed models. This will be accomplished through hierarchical multiscale algorithms in tandem with new strategies for data handling, analysis, and storage. These big ideas and cross-cutting technologies for enabling breakthrough climate simulation advancements also need the "glue" of outreach and learning across the scientific domains to be successful. The workshop identified several strategies to allow productive, continuous engagement across those who have a broad knowledge of the various angles of the problem. Specific ideas to foster education and tools to make material progress were discussed. Examples include follow-on cross-cutting meetings that enable unstructured discussions of the types this workshop fostered. A concerted effort to recruit undergraduate and graduate students from all relevant domains and provide them experience, training, and networking across their immediate expertise is needed. This will broaden and expand their exposure to the future needs and solutions, and provide a pipeline of scientists with a diversity of knowledge and know-how. Providing real-world experience with subject matter experts from multiple angles may also motivate the students to attack these problems and even come up with the missing solutions.
Book
1 online resource (890 KB ): digital, PDF file.
This presentation provides a high-level overview of advances in modeling all-sky radiative transfer for solar energy applications.
Book
1 online resource (451 KB ): digital, PDF file.
The U.S. Department of Energy's (DOE's) Wind Energy Technologies Office (WETO) works to accelerate the development and deployment of wind power. The office provides information for researchers, developers, businesses, manufacturers, communities, and others seeking various types of federal assistance available for advancing wind projects. This fact sheet outlines the primary federal incentives for developing and investing in wind power, resources for funding wind power, and opportunities to partner with DOE and other federal agencies on efforts to move the U.S. wind industry forward.
Book
1 online resource (6 ): digital, PDF file.
The U.S. Department of Energy’s (DOE’s) Wind Energy Technologies Office (WETO) works to accelerate the development and deployment of wind power. The office provides information for researchers, developers, businesses, manufacturers, communities, and others seeking various types of federal assistance available for advancing wind projects.
Book
1 online resource (1 unnumbered page) : color illustrations
Book
1 online resource (1 unnumbered page) : color illustrations
Book
1 online resource (39 p.) : digital, PDF file.
No abstract provided.
Book
1 online resource (p. 585-607 ): digital, PDF file.
<p>The Aerosol Chemistry Model Intercomparison Project (AerChemMIP) is endorsed by the Coupled-Model Intercomparison Project 6 (CMIP6) and is designed to quantify the climate and air quality impacts of aerosols and chemically reactive gases. These are specifically near-term climate forcers (NTCFs: methane, tropospheric ozone and aerosols, and their precursors), nitrous oxide and ozone-depleting halocarbons. The aim of AerChemMIP is to answer four scientific questions. <br><br> 1. How have anthropogenic emissions contributed to global radiative forcing and affected regional climate over the historical period? <br><br> 2. How might future policies (on climate, air quality and land use) affect the abundances of NTCFs and their climate impacts? <br><br> 3.How do uncertainties in historical NTCF emissions affect radiative forcing estimates? <br><br> 4. How important are climate feedbacks to natural NTCF emissions, atmospheric composition, and radiative effects? <br><br> These questions will be addressed through targeted simulations with CMIP6 climate models that include an interactive representation of tropospheric aerosols and atmospheric chemistry. These simulations build on the CMIP6 Diagnostic, Evaluation and Characterization of Klima (DECK) experiments, the CMIP6 historical simulations, and future projections performed elsewhere in CMIP6, allowing the contributions from aerosols and/or chemistry to be quantified. As a result, specific diagnostics are requested as part of the CMIP6 data request to highlight the chemical composition of the atmosphere, to evaluate the performance of the models, and to understand differences in behaviour between them.</p>
Book
1 online resource (15 p.) : digital, PDF file.
Cerium oxide (CeO2) dust is recommended as a surrogate for plutonium oxide (PuO2) in airborne release fraction experiments. The total range of applicable particle sizes for PuO2 extends from 0.0032 μm (the diameter of a single PuO2 molecule) to 10 μm (the defined upper boundary for respirable particles). For particulates with a physical particle diameter of 1.0 μm, the corresponding aerodynamic diameters for CeO2 and PuO2 are 2.7 μm and 3.4 μm, respectively. Cascade impactor air samplers are capable of measuring the size distributions of CeO2 or PuO2 particulates. In this document, the aerodynamic diameters for CeO2 and PuO2 were calculated for seven different physical diameters (0.0032, 0.02, 0.11, 0.27, 1.0, 3.2, and 10 μm). For cascade impactor measurements, CeO2 and PuO2 particulates with the same physical diameter would be collected onto the same or adjacent collection substrates. The difference between the aerodynamic diameter of CeO2 and PuO2 particles (that have the same physical diameter) is 39% of the resolution of a twelve-stage MSP Inc. 125 cascade impactor, and 34% for an eight-stage Andersen impactor. An approach is given to calculate the committed effective dose (CED) coefficient for PuO2 aerosol particles, compared to a corresponding aerodynamic diameter of CeO2 particles. With this approach, use of CeO2 as a surrogate for PuO2 material would follow a direct conversion based on a molar equivalent. In addition to the analytical information developed for this document, several US national labs have published articles about the use of CeO2 as a PuO2 surrogate. Different physical and chemical aspects were considered by these investigators, including thermal properties, ceramic formulations, cold pressing, sintering, molecular reactions, and mass loss in high temperature gas flows. All of those US national lab studies recommended the use of CeO2 as a surrogate material for PuO2.
The invention relates to virus-like particles of bacteriophage MS2 (MS2 VLPs) displaying peptide epitopes or peptide mimics of epitopes of Nipah Virus envelope glycoprotein that elicit an immune response against Nipah Virus upon vaccination of humans or animals. Affinity selection on Nipah Virus-neutralizing monoclonal antibodies using random sequence peptide libraries on MS2 VLPs selected peptides with sequence similarity to peptide sequences found within the envelope glycoprotein of Nipah itself, thus identifying the epitopes the antibodies recognize. The selected peptide sequences themselves are not necessarily identical in all respects to a sequence within Nipah Virus glycoprotein, and therefore may be referred to as epitope mimics VLPs displaying these epitope mimics can serve as vaccine. On the other hand, display of the corresponding wild-type sequence derived from Nipah Virus and corresponding to the epitope mapped by affinity selection, may also be used as a vaccine.