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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A comparison of battery testing protocols: Those used by the U.S. advanced battery consortium and those used in China

Two testing protocols, QC/T 743 and those used by the U.S. Advanced Battery Consortium (USABC), were compared using cells based on LiFePO4/graphite chemistry. Differences in the protocols directly affected the data and the performance decline mechanisms deduced from the data. In all cases, the rate of capacity fade was linear with time. Overall, the testing protocols produced very similar data when the testing conditions and metrics used to define performance were similar. The choice of depth of discharge and pulse width had a direct effect on the apparent rate of resistance increased and estimated cell life. At greater percent depth of discharge (%DOD) and pulse width, the estimated life was shorter that at lower %DOD and shorter pulse width. This indicates that cells which were at the end of life based on the USABC protocol were not at end of life based on the QC/T 743 protocol by a large margin. (C) 2016 ELSEVIER B.V. All rights reserved.

battery testing↗
DOE OSTI2022

Characterizing particle-based thermal storage performance using optical methods for use in next generation concentrating solar power plants

Concentrating Solar Power (CSP) generation is an attractive option for low-emission power generation; however, the high costs of thermal storage associated with concentrating solar create a large barrier for their use and adaptation into modern life. Lowering their operation costs, while maintaining high thermal storage and transfer performance is essential. Solid particle-based heat exchange systems can reduce CSP cost but are often less efficient. Efforts to increase their performance have led to use of binary size particle mixes. Presented is an optical-based thermal analysis technique used to measure near-wall thermal conductivity of particle beds essential in determining their heat exchanger efficiency. Modulated Photothermal Radiometry is used to make dynamic temperature measurements, allowing for the extraction of the most relevant thermal properties like thermal conductivity, specific heat, and effusivity. The system uses a modulated laser source causing a damped periodic heat flux, resulting in a frequency and thermal property dependent surface temperature, of which is measured using radiometry. Lock-In techniques are used to extrapolate the amplitude of the signal. Plotting the amplitude against the root angular frequency allows for effusivity measurement by ratio to a known sample. Using specific heat measurements from literature and density measurements, the thermal conductivity of the particle mixes can be calculated. The simplicity of MPTR to probe through the depth of the bed is ideal for use in CSP for dynamic thermal performance monitoring.

Corona, Javier↗
DOE OSTI2018

Understanding land use change impacts on microclimate using Weather Research and Forecasting (WRF) model

To explore potential climatic consequences of land cover change in the Kolkata Metropolitan Development area, we projected microclimate conditions in this area using the Weather Research and Forecasting (WRF) model driven by future land use scenarios. Specifically, we considered two land conversion scenarios including an urbanization scenario that all the wetlands and croplands would be converted to built-up areas, and an irrigation expansion scenario in which all wetlands and dry croplands would be replaced by irrigated croplands. Results indicated that land use and land cover (LULC) change would dramatically increase regional temperature in this area under the urbanization scenario, but expanded irrigation tended to have a cooling effect. In the urbanization scenario, precipitation center tended to move eastward and lead to increased rainfall in eastern parts of this region. Increased irrigation stimulated rainfall in central and eastern areas but reduced rainfall in southwestern and northwestern parts of the study area. This study also demonstrated that urbanization significantly reduced latent heat fluxes and albedo of land surface; while increased sensible heat flux changes following urbanization suggested that developed land surfaces mainly acted as heat sources. In this study, climate change projection not only predicts future spatiotemporal patterns of multiple climate factors, but also provides valuable insights into policy making related to land use management, water resource management, and agriculture management to adapt and mitigate future climate changes in this populous region. (C) 2017 Elsevier Ltd. All rights reserved.

AIR-QUALITY↗
DOE OSTI2016

What are the effects of Agro-Ecological Zones and land use region boundaries on land resource projection using the Global Change Assessment Model?

Understanding the potential impacts of climate change is complicated by mismatched spatial representations between gridded Earth System Models (ESMs) and Integrated Assessment Models (IAMs), whose regions are typically larger and defined by geopolitical and biophysical criteria. In this study we address uncertainty stemming from the construction of land use regions in an IAM, the Global Change Assessment Model (GCAM), whose regions are currently based on historical climatic conditions (1961-1990). We re-define GCAM’s regions according to projected climatic conditions (2070-2099), and investigate how this changes model outcomes for land use, agriculture, and forestry. By 2100, we find potentially large differences in projected global and regional area of biomass energy crops, fodder crops, harvested forest, and intensive pasture. These land area differences correspond with changes in agricultural commodity prices and production. These results have broader implications for understanding policy scenarios and potential impacts, and for evaluating and comparing IAM and ESM simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Phase stability and property evolution of biphasic Ti-Ni-Sn alloys for use in thermoelectric applications

Thermoelectric properties and phase evolution have been studied in biphasic Ti–Ni–Sn materials containing full-Heusler TiNi 2 Sn embedded within half-Heusler thermoelectric TiNiSn. Materials, prepared by levitation induction melting followed by annealing, were of the nominal starting composition of TiNi 1+x Sn, with x between 0.00 and 0.25. Phases and microstructure were determined using synchrotron X-ray diffraction and optical and electron microscopy. The full-Heusler phase is observed to be semi-coherent with the half-Heusler majority phase. Differential thermal analysis was performed to determine melting temperatures of the end-member compounds. The thermal conductivity is reduced with the introduction of a dispersed, full-Heusler phase within the half-Heusler material. This leads to an increased thermoelectric figure of merit, ZT, from 0.35 for the stoichiometric compound to 0.44 for TiNi 1.15 Sn. Beyond x = 0.15 ZT decreases due to a rise in thermal conductivity. Density functional theory calculations using hybrid functionals were performed to determine band alignments between the half- and full-Heusler compounds, as well as comparative energies of formation. The hybrid functional band structure of TiNiSn is presented as well.

Douglas, Jason E.↗
DOE OSTI2015

Structural and chemical ordering of Heusler C o x M n y G e z epitaxial films on Ge (111): Quantitative study using traditional and anomalous x-ray diffraction techniques

Epitaxial films of C o x M n y G e z grown on Ge (111) substrates by molecular-beam-epitaxy techniques have been investigated as a continuous function of composition using combinatorial synchrotron x-ray diffraction (XRD) and x-ray fluorescence (XRF) spectroscopy techniques. A high-resolution ternary epitaxial phase diagram is obtained, revealing a small number of structural phases stabilized over large compositional regions. Ordering of the constituent elements in the compositional region near the full Heusler alloy C o 2 MnGe has been examined in detail using both traditional XRD and a new multiple-edge anomalous diffraction (MEAD) technique. Multiple-edge anomalous diffraction involves analyzing the energy dependence of multiple reflections across each constituent absorption edge in order to detect and quantify the elemental distribution of occupation in specific lattice sites. Results of this paper show that structural and chemical ordering are very sensitive to the Co : Mn atomic ratio, such that the ordering is the highest at an atomic ratio of 2 but significantly reduced even a few percent off this ratio. The in-plane lattice is nearly coherent with that of the Ge substrate, while the approximately 2% lattice mismatch is accommodated by the out-of-plane tetragonal strain. The quantitative MEAD analysis further reveals no detectable amount (<0.5%) of Co-Mn site swapping, but instead high levels (26%) of Mn-Ge site swapping. Increasing Ge concentration above the Heusler stoichiometry ( C o 0.5 M n 0.25 G e 0.25 ) is shown to correlate with increased lattice vacancies, antisites, and stacking faults, but reduced lattice relaxation. The highest degree of chemical ordering is observed off the Heusler stoichiometry with a Ge enrichment of 5 at.%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

A stochastic techno-economic analysis of shrub willow production using EcoWillow 3.0S: A Stochastic Techno-Economic Analysis of Shrub Willow Production Using EcoWillow 3.0S

EcoWillow 3.0S is a techno-economic analysis (TEA) tool that calculates realistic willow biomass production costs using data from field trials of willow production in New York State. The model represents the input parameters for diesel fuel price, wood price, and willow yield as data-derived probability distributions rather than as single values. This study uses EcoWillow 3.0S with Oracle Crystal Ball to perform a stochastic TEA of shrub willow production in the Northeastern United States. Two outputs obtained from this model are a 24-year net present value (NPV) and minimum selling price (MSP) of shrub willow production under price and yield uncertainty. The MSP for dry willow ranges within a 95% confidence interval from $\$ 59$. -$\$ 102$/Mg. The NPV, also within a 95% confidence interval, ranges from -$\$ 153$ 819 to $\$ 207$ 129 for 40 ha of willow harvested seven times over 24 years. The relevance of this study is to utilize the TEA methodology to assess the financial feasibility of shrub willow production as a bioenergy feedstock. The results of this analysis provide the bioenergy field with NPV and MSP probability distributions on shrub willow production that have previously been absent from the refereed literature. Using data collected from field operations over a number of years, EcoWillow 3.0S captures some of the key inputs that influence the variation in the delivered cost of willow biomass crops.

09 BIOMASS FUELS↗
DOE OSTI2017

Methods for using argon-39 to age-date groundwater using ultra-low-background proportional counting

Argon-39 can be used as a tracer for age-dating glaciers, oceans, and more recently, groundwater. With a half-life of 269 years, 39Ar fills an intermediate age range gap (50-1,000 years) not currently covered by other common groundwater tracers. Therefore, adding this tracer to the data suite for groundwater studies provides an important tool for improving our understanding of groundwater systems. We present the methods employed for arriving at an age-date for a given sample of argon degassed from groundwater.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Enhancing the stability of copper chromite catalysts for the selective hydrogenation of furfural with ALD overcoating (II) – Comparison between TiO2 and Al2O3 overcoatings

TiO2 atomic layer deposition (ALD) overcoatings were applied to copper chromite catalysts to increase the stability for 2-furfuraldehyde (“furfural”) hydrogenation. After overcoating, about 75% activity was preserved compared to neat copper chromite: much higher activity than an alumina ALD overcoated catalyst with a similar number of ALD cycles. The effects of ALD TiO2 on the active Cu nanoparticles were studied extensively using both in-situ TPR/isothermal-oxidation and in-situ furfural hydrogenation via Cu XAFS. The redox properties of Cu were modified only slightly by the TiO2 ALD overcoat. However, a subtle electronic interaction was observed between the TiO2 ALD layers and the Cu nanoparticles. With calcination at 500 °C the interaction between the TiO2 overcoat and the underlying catalyst is strong enough to inhibit migration and site blocking by chromite, but is sufficiently weaker than the interaction between the Al2O3 overcoat and copper chromite that it does not strongly inhibit the catalytic activity of the copper nanoparticles.

Zhang, Hongbo↗
DOE OSTI2015

Effects of Laser Energy and Wavelength on the Analysis of LiFePO4 Using Laser Assisted Atom Probe Tomography

The effects of laser wavelength (355 nm and 532 nm) and laser pulse energy on the quantitative accuracy of atom probe tomography (APT) examinations of LiFePO4 (LFP) are considered. A systematic investigation of ultraviolet (UV, 355 nm) and green (532 nm) laser assisted APT of LFP has revealed distinctly different behaviors. With the use of UV laser the major issue was identified as the preferential loss of oxygen (up to 10 at. %) while other elements (Li, Fe and P) were observed to be close to nominal ratios. Lowering the laser energy per pulse to 1 pJ increased the observed oxygen concentration to near its correct stoichiometry and was well correlated with systematically higher concentrations of 16O2+ ions. This observation supports the premise that lower laser energies lead to a higher probability of oxygen molecule ionization. Conversely, at higher laser energies the resultant lower effective electric field reduces the probability of oxygen molecule ionization. Green laser assisted field evaporation led to the selective loss of Li (~50% deficiency) and correct ratios of the remaining elements, including the oxygen concentration. The loss of Li is explained by selective dc evaporation of lithium between laser pulses and relatively negligible oxygen loss as neutrals during green-laser pulsing. Lastly, plotting of multihit events on a Saxey plot for the straight-flight path data (green laser only) revealed a surprising dynamic recombination process for some molecular ions mid-flight.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2014

Hardness assurance for proton direct ionization-induced SEEs using a high-energy proton beam

The low-energy proton energy spectra of all shielded space environments have the same shape. This shape is easily reproduced in the laboratory by degrading a high-energy proton beam, producing a high-fidelity test environment. We use this test environment to dramatically simplify rate prediction for proton direct ionization effects, allowing the work to be done at high-energy proton facilities, on encapsulated parts, without knowledge of the IC design, and with little or no computer simulations required. Proton direct ionization (PDI) is predicted to significantly contribute to the total error rate under the conditions investigated. Scaling effects are discussed using data from 65-nm, 45-nm, and 32-nm SOI SRAMs. These data also show that grazing-angle protons will dominate the PDI-induced error rate due to their higher effective LET, so PDI hardness assurance methods must account for angular effects to be conservative. As a result, we show that this angular dependence can be exploited to quickly assess whether an IC is susceptible to PDI.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1976

A methodology for small scale rural land use mapping in semi-arid developing countries using orbital imagery. Part 6: A low-cost method for land use mapping using simple visual techniques of interpretation

The author has identified the following significant results. It was found that color composite transparencies and monocular magnification provided the best base for land use interpretation. New methods for determining optimum sample sizes and analyzing interpretation accuracy levels were developed. All stages of the methodology were assessed, in the operational sense, during the production of a 1:250,000 rural land use map of Murcia Province, Southeast Spain.

Vangenderen, J. L.↗
DOE OSTI2017

An automated analysis workflow for optimization of force-field parameters using neutron scattering data

Graphical abstract: - Highlights: • An automated workflow to optimize force-field parameters. • Used the workflow to optimize force-field parameter for a system containing nanodiamond and tRNA. • The mechanism relies on molecular dynamics simulation and neutron scattering experimental data. • The workflow can be generalized to any other experimental and simulation techniques. - Abstract: Large-scale simulations and data analysis are often required to explain neutron scattering experiments to establish a connection between the fundamental physics at the nanoscale and data probed by neutrons. However, to perform simulations at experimental conditions it is critical to use correct force-field (FF) parameters which are unfortunately not available for most complex experimental systems. In this work, we have developed a workflow optimization technique to provide optimized FF parameters by comparing molecular dynamics (MD) to neutron scattering data. We describe the workflow in detail by using an example system consisting of tRNA and hydrophilic nanodiamonds in a deuterated water (D{sub 2}O) environment. Quasi-elastic neutron scattering (QENS) data show a faster motion of the tRNA in the presence of nanodiamond than without the ND. To compare the QENS and MD results quantitatively, a proper choice of FF parameters is necessary. We use an efficient workflow to optimize the FF parameters between the hydrophilic nanodiamond and water by comparing to the QENS data. Our results show that we can obtain accurate FF parameters by using this technique. The workflow can be generalized to other types of neutron data for FF optimization, such as vibrational spectroscopy and spin echo.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Xenon Recovery at Room Temperature using Metal-Organic Frameworks

Xenon is known to be a very efficient anesthetic gas but its cost prohibits the wider use in medical industry and other potential applications. It has been shown that Xe recovery and recycle from anesthetic gas mixture can significantly reduce its cost as anesthetic. The current technology uses series of adsorbent columns followed by low temperature distillation to recover Xe, which is expensive to use in medical facilities. Herein, we propose much efficient and simpler system to recover and recycle Xe from simulant exhale anesthetic gas mixture at room temperature using metal organic frameworks. Among the MOFs tested, PCN-12 exhibits unprecedented performance with high Xe capacity, Xe/N2 and Xe/O2 selectivity at room temperature. The in-situ synchrotron measurements suggest the Xe is occupied in the small pockets of PCN-12 compared to unsaturated metal centers (UMCs). Computational modeling of adsorption further supports our experimental observation of Xe binding sites in PCN-12.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗