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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Can the Impact of Aerosols on Deep Convection be Isolated from Meteorological Effects in Atmospheric Observations?

Influence of pollution on dynamics of deep convection continues to be a controversial topic. Arguably, only carefully designed numerical simulations can clearly separate the impact of aerosols from the effects of meteorological factors that affect moist convection. This paper argues that such a separation is virtually impossible using observations because of the insufficient accuracy of atmospheric measurements and the fundamental nature of the interaction between deep convection and its environment. To support this conjecture, results from numerical simulations are presented that apply modeling methodology previously developed by the author. The simulations consider small modifications, difficult to detect in observations, of the initial sounding, surface fluxes, and large-scale forcing tendencies. All these represent variations of meteorological conditions that affect deep convective dynamics independently of aerosols. The setup follows the case of daytime convective development over land based on observations during the Large-Scale Biosphere–Atmosphere (LBA) field project in Amazonia. The simulated observable macroscopic changes of convection, such as the surface precipitation and upper-tropospheric cloudiness, are similar to or larger than those resulting from changes of cloud condensation nuclei from pristine to polluted conditions studied previously using the same modeling case. Observations from Phase III of the Global Atmospheric Research Program Atlantic Tropical Experiment (GATE) are also used to support the argument concerning the impact of the large-scale forcing. The simulations suggest that the aerosol impacts on dynamics of deep convection cannot be isolated from meteorological effects, at least for the daytime development of unorganized deep convection considered in this study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Coarse-grained computer simulation of dynamics in thylakoid membranes: methods and opportunities

Coarse-grained simulation is a powerful and well-established suite of computational methods for studying structure and dynamics in nanoscale biophysical systems. As our understanding of the plant photosynthetic apparatus has become increasingly nuanced, opportunities have arisen for coarse-grained simulation to complement experiment by testing hypotheses and making predictions. Here, we give an overview of best practices in coarse-grained simulation, with a focus on techniques and results that are applicable to the plant thylakoid membrane–protein system. We also discuss current research topics for which coarse-grained simulation has the potential to play a key role in advancing the field.

Brownian dynamics↗
DOE OSTI2015

A Vision for Systems Engineering Applied to Wind Energy (Presentation)

This presentation was given at the Third Wind Energy Systems Engineering Workshop on January 14, 2015. Topics covered include the importance of systems engineering, a vision for systems engineering as applied to wind energy, and application of systems engineering approaches to wind energy research and development.

17 WIND ENERGY↗
DOE OSTI2015

Update On The Development, Testing, And Manufacture Of High Density LEU-Foil Targets For The Production Of Mo-99

This project has the objective to reduce and/or eliminate the use of HEU in commerce. Steps in the process include developing a target testing methodology that is bounding for all Mo-99 target irradiators, establishing a maximum target LEU-foil mass, developing a LEU-foil target qualification document, developing a bounding target failure analysis methodology (failure in reactor containment), optimizing safety vs. economics (goal is to manufacture a safe, but relatively inexpensive target to offset the inherent economic disadvantage of using LEU in place of HEU), and developing target material specifications and manufacturing QC test criteria. The slide presentation is organized under the following topics: Objective, Process Overview, Background, Team Structure, Key Achievements, Experiment and Activity Descriptions, and Conclusions. The High Density Target project has demonstrated: approx. 50 targets irradiated through domestic and international partners; proof of concept for two front end processing methods; fabrication of uranium foils for target manufacture; quality control procedures and steps for manufacture; multiple target assembly techniques; multiple target disassembly devices; welding of targets; thermal, hydraulic, and mechanical modeling; robust target assembly parametric studies; and target qualification analysis for insertion into very high flux environment. The High Density Target project has tested and proven several technologies that will benefit current and future Mo-99 producers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Optimizing Battery Usage and Management for Long Life

This presentation discusses the impact of system design factors on battery aging and end of life. Topics include sizing of the SOC operating window, cell balancing and thermal management systems and their value in reducing pack degradation rates and cell imbalance growth over lifetime.

25 ENERGY STORAGE↗
DOE OSTI2015

Bibliometric analysis of global environmental assessment research in a 20-year period

Based on the samples of 113,468 publications on environmental assessment (EA) from the past 20 years, we used a bibliometric analysis to study the literature in terms of trends of growth, subject categories and journals, international collaboration, geographic distribution of publications, and scientific research issues. By applying thresholds to network centralities, a core group of countries can be distinguished as part of the international collaboration network. A frequently used keywords analysis found that the priority in assessment would gradually change from project environmental impact assessment (EIA) to strategic environmental assessment (SEA). Decision-theoretic approaches (i.e., environmental indicator selection, life cycle assessment, etc.), along with new technologies and methods (i.e., the geographic information system and modeling) have been widely applied in the EA research field over the past 20 years. Hot spots such as “biodiversity” and “climate change” have been emphasized in current EA research, a trend that will likely continue in the future. The h-index has been used to evaluate the research quality among countries all over the world, while the improvement of developing countries' EA systems is becoming a popular research topic. Our study reveals patterns in scientific outputs and academic collaborations and serves as an alternative and innovative way of revealing global research trends in the EA research field.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Multiplexed measurements by time resolved spectroscopy using colloidal CdSe/ZnS quantum dots

Multiplexed measurements of analytes in parallel is a topical demand in bioanalysis and bioimaging. An interesting alternative to commonly performed spectral multiplexing is lifetime multiplexing. In this Letter, we present a proof of principle of single-color lifetime multiplexing by coupling the same fluorophore to different nanoparticles. The effective lifetime of the fluorophores can be tuned by more than one order of magnitude due to resonance energy transfer from donor states. Measurements have been done on a model systems consisting of ATTO-590 dye molecules linked to either gold particles or to CdSe/ZnS core shell quantum dots. Both systems show the same luminescence spectrum of ATTO-590 dye emission in continuous wave excitation, but can be distinguished by means of time resolved measurements. The dye molecules bound to gold particles exhibit a mono-exponential decay with a lifetime of 4.5 ns, whereas the dye molecules bound to CdSe/ZnS dots show a nonexponential decay with a slow component of about 135 ns due to the energy transfer from the quantum dots. We demonstrate the fundamental possibility to determine the mixing ratio for dyes with equal luminescence spectra but very different transients. This opens up a pathway independent of the standard optical multiplexing with many different fluorophores emitting from the near ultraviolet to the near infrared spectral region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Raw diffraction data preservation and reuse: Overview, update on practicalities and metadata requirements

A topical review is presented of the rapidly developing interest in and storage options for the preservation and reuse of raw data within the scientific domain of the IUCr and its Commissions, each of which operates within a great diversity of instrumentation. A résumé is included of the case for raw diffraction data deposition. An overall context is set by highlighting the initiatives of science policy makers towards an `Open Science' model within which crystallographers will increasingly work in the future; this will bring new funding opportunities but also new codes of procedure within open science frameworks. Skills education and training for crystallographers will need to be expanded. Overall, there are now the means and the organization for the preservation of raw crystallographic diffraction data via different types of archive, such as at universities, discipline-specific repositories (Integrated Resource for Reproducibility in Macromolecular Crystallography, Structural Biology Data Grid), general public data repositories (Zenodo, ResearchGate) and centralized neutron and X-ray facilities. Formulation of improved metadata descriptors for the raw data types of each of the IUCr Commissions is in progress; some detailed examples are provided. Lastly, a number of specific case studies are presented, including an example research thread that provides complete open access to raw data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2015

Final Report (2010-2015) for the Topical Collaboration on Quantitative Jet and Electromagnetic Tomography (JET) of Extreme Phases of Matter in Heavy-ion Collisions

During the 5-year funding period (2010-2015), the JET Collaboration carried out a comprehensive research program with coordinated efforts involving all PI members and external associated members according to the plan and milestones outlined in the approved JET proposal. We identified important issues in the study of parton energy loss and made significant progress toward NLO calculations; advanced event-by-event hydrodynamic simulations of bulk matter evolution; developed Monte Carlo tools that combine different parton energy loss approaches, hydrodynamic models and parton recombination model for jet hadronization; and carried out the first comprehensive phenomenological study to extract the jet transport parameter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Molten‐Salt‐Mediated Chemical Looping Oxidative Dehydrogenation of Ethane with In‐Situ Carbon Capture and Utilization

Abstract The molten‐salt‐mediated oxidative dehydrogenation (MM‐ODH) of ethane (C 2 H 6 ) via a chemical looping scheme represents an effective carbon capture and utilization (CCU) method for the valorization of ethane‐rich shale gas and concurrent mitigation of carbon dioxide (CO 2 ) emissions. Here, stepwise experimentation with Li 2 CO 3 ‐Na 2 CO 3 ‐K 2 CO 3 (LNK) ternary salts (i) assessed how each component of the LNK mixture impacted ethane MM‐ODH performance and (ii) explored physicochemical and thermodynamic mechanisms behind melt‐induced changes to ethylene (C 2 H 4 ) and carbon monoxide (CO) yields. Of fifteen screened LNK compositions, nine exhibited ethylene yields greater than 50 % at 800 °C while maintaining C 2 H 4 selectivities of 85 % or higher. LNK salts rich in Li 2 CO 3 content yielded more ethylene and CO on average than their counterparts, and net CO 2 capture per cycle reached a maximum of ~75 %. Extended MM‐ODH cycling also demonstrated long‐term stability of a high‐performing LNK medium. Density functional theory (DFT) calculations andab initiomolecular dynamics (AIMD) simulations suggested that the molten salt does not directly activate C 2 H 6 . Meanwhile, an empirical model informed by experimental data and reaction thermodynamics adequately predicted overall MM‐ODH performance from LNK composition and provided insights into the system′s primary drivers.

Chemistry↗
DOE OSTI2023

Critical nematic correlations throughout the superconducting doping range in Bi 2–z Pb z Sr 2–y La y CuO 6+x

Charge modulations have been widely observed in cuprates, suggesting their centrality for understanding the high-T c superconductivity in these materials. However, the dimensionality of these modulations remains controversial, including whether their wavevector is unidirectional or bidirectional, and also whether they extend seamlessly from the surface of the material into the bulk. Material disorder presents severe challenges to understanding the charge modulations through bulk scattering techniques. We use a local technique, scanning tunneling microscopy, to image the static charge modulations on Bi 2–z Pb z Sr 2–y La y CuO 6+x . The ratio of the phase correlation length ξ CDW to the orientation correlation length ξ orient points to unidirectional charge modulations. By computing new critical exponents at free surfaces including that of the pair connectivity correlation function, we show that these locally 1D charge modulations are actually a bulk effect resulting from classical 3D criticality of the random field Ising model throughout the entire superconducting doping range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Hydroxylation of the surface of PbS nanocrystals passivated with oleic acid

Controlling the structure of colloidal nanocrystals (NCs) is key to the generation of their complex functionality. This requires an understanding of the NC surface at the atomic level. The structure of colloidal PbS NCs passivated with oleic acid has been studied theoretically and experimentally. We show the existence of surface OH(-) groups, which play a key role in stabilizing the PbS(111) facets, consistent with x-ray photoelectron spectroscopy as well as other spectroscopic and chemical experiments. The role of water in the synthesis process is also revealed. Our model, along with existing observations of NC surface termination and passivation by ligands, helps to explain and predict the properties of NCs and their assemblies.

Science & Technology - Other Topics↗
DOE OSTI2015

Building a Comprehensive Mill-Level Database for the Industrial Sectors Integrated Solutions (ISIS) Model of the U.S. Pulp and Paper Sector

Air emissions from the U.S. pulp and paper sector have been federally regulated since 1978; however, regulations are periodically reviewed and revised to improve efficiency and effectiveness of existing emission standards. The Industrial Sectors Integrated Solutions (ISIS) model for the pulp and paper sector is currently under development at the U.S. Environmental Protection Agency (EPA), and can be utilized to facilitate multi-pollutant, sectorbased analyses that are performed in conjunction with regulatory development. The model utilizes a multi-sector, multi-product dynamic linear modeling framework that evaluates the economic impact of emission reduction strategies for multiple air pollutants. The ISIS model considers facility-level economic, environmental, and technical parameters, as well as sector-level market data, to estimate the impacts of environmental regulations on the pulp and paper industry. Specifically, the model can be used to estimate U.S. and global market impacts of new or more stringent air regulations, such as impacts on product price, exports and imports, market demands, capital investment, and mill closures. One major challenge to developing a representative model is the need for an extensive amount of data. This article discusses the collection and processing of data for use in the model, as well as the methods used for building the ISIS pulp and paper database that facilitates the required analyses to support the air quality management of the pulp and paper sector.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Characterization of a nontypeable Haemophilus influenzae thermonuclease

Nontypeable Haemophilus influenzae (NT Hi ) has been shown to form biofilms, comprised of extracellular DNA (eDNA), in the middle ear and bronchus during clinical infections. Studies in our laboratory have shown that NT Hi possesses a homolog of Staphylococcus aureus thermonuclease (staphylococcal thermonuclease), NT Hi nuclease (NT Hi Nuc, HI_1296). This enzyme had similar size, heat stability, and divalent cation requirements to those of the staphylococcal homolog as determined by light scattering and circular dichroism spectroscopy. Small angle X-ray scattering (SAXS) analysis suggested an overall shape and substrate-binding site comparable to those of staphylococcal nuclease. However, NT Hi Nuc was approximately 25-fold more active in fluorescence resonance energy transfer (FRET) activity assay than staphylococcal thermonuclease. Homology modeling implicates shorter NT Hi Nuc loops near the active site for this enhanced activity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Flow, Transport, and Reaction in Porous Media: Percolation Scaling, Critical‐Path Analysis, and Effective Medium Approximation

Abstract We describe the most important developments in the application of three theoretical tools to modeling of the morphology of porous media and flow and transport processes in them. One tool is percolation theory. Although it was over 40 years ago that the possibility of using percolation theory to describe flow and transport processes in porous media was first raised, new models and concepts, as well as new variants of the original percolation model are still being developed for various applications to flow phenomena in porous media. The other two approaches, closely related to percolation theory, are the critical‐path analysis, which is applicable when porous media are highly heterogeneous, and the effective medium approximation— poor man's percolation —that provide a simple and, under certain conditions, quantitatively correct description of transport in porous media in which percolation‐type disorder is relevant. Applications to topics in geosciences include predictions of the hydraulic conductivity and air permeability, solute and gas diffusion that are particularly important in ecohydrological applications and land‐surface interactions, and multiphase flow in porous media, as well as non‐Gaussian solute transport, and flow morphologies associated with imbibition into unsaturated fractures. We describe new applications of percolation theory of solute transport to chemical weathering and soil formation, geomorphology, and elemental cycling through the terrestrial Earth surface. Wherever quantitatively accurate predictions of such quantities are relevant, so are the techniques presented here. Whenever possible, the theoretical predictions are compared with the relevant experimental data. In practically all the cases, the agreement between the theoretical predictions and the data is excellent. Also discussed are possible future directions in the application of such concepts to many other phenomena in geosciences.

Hunt, Allen G.↗
DOE OSTI2019

Trends in Solid Adsorbent Materials Development for CO 2 Capture

A review summarizing trends in materials development for CO 2 adsorption focusing on recent studies is given. Trends in computational investigations along with experimental findings are covered to find promising candidates in light of practical challenges imposed by process economics. Topics covered here include: introduction (climate change, CO 2 emissions mitigation, overview of classical computational CO 2 adsorption studies); CO 2 capture materials (C based materials [activated C {AC}, ordered porous C, C fiber, graphene], SiO 2 /Al 2 O 3 /zeolite [SiO 2 , Al 2 O 3 and nanoclays, zeolite], porous cryst. solids [metal-org. frameworks (MOF) {metal type and open metal sites, functionalized MOF, mol. sieves, MOF computational modeling, MOF databases}, zeolite imidazolate frameworks, covalent org. frameworks and polymers], metal oxides); and conclusions and future perspectives.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Fourth-order partial differential equation noise removal on welding images

Partial differential equation (PDE) has become one of the important topics in mathematics and is widely used in various fields. It can be used for image denoising in the image analysis field. In this paper, a fourth-order PDE is discussed and implemented as a denoising method on digital images. The fourth-order PDE is solved computationally using finite difference approach and then implemented on a set of digital radiographic images with welding defects. The performance of the discretized model is evaluated using Peak Signal to Noise Ratio (PSNR). Simulation is carried out on the discretized model on different level of Gaussian noise in order to get the maximum PSNR value. The convergence criteria chosen to determine the number of iterations required is measured based on the highest PSNR value. Results obtained show that the fourth-order PDE model produced promising results as an image denoising tool compared with median filter.

42 ENGINEERING↗