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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Enabling Dynamic Vehicle Analyses With Improved Atmospheric Attenuation Models in Glenn Research Center Communication Analysis Suite

To aid in meeting the NASA objective of returning humans to the Moon, the Glenn Research Center’s Communication Analysis Suite was augmented with two distinct capabilities. The first capability added was the vehicle propagator. This allows the addition of dynamic aircraft and ground vehicles around any celestial body within the solar system during an analysis. This functionality interpolates the position and velocity of the vehicle relative to a celestial body at the time steps analyzed using the type of path and either a series of waypoints or a direction and duration of travel. The implications of this new capability include lunar rovers and/or drones, such as Dragonfly, where the vehicle propagator will analyze the communications architecture. The newly created vehicle propagator is now in use in communications studies for the 2024 lunar missions, simulating the movement of lunar rovers across the Moon’s southern pole. The second capability added was the augmentation of the atmospheric attenuation model. The previous model did not have a uniform low-elevation attenuation model due to the trigonometric approximation for path length and the exponential nature of low-elevation scintillation. User-defined weather parameters were also added to the updated atmospheric attenuation model. The previous model solely used tabular data based upon the season and location of the transmitting antenna. Multiple simulations of the same configuration now return different results based on the differing weather parameters. Cognitive communications analysis efforts can use this second capability to generate neural network training data based on differing weather conditions at utilized ground stations, a critical step in allowing neural networks to learn how weather parameters impact communications performance.

vehicle propagation↗
DOE OSTI2015

Measuring fusion excitation functions with RIBs: A thorough analysis of the stacked target technique and the related problems

The use of the stacked target technique to measure fusion cross-sections of reactions induced by low intensity radioactive beams offers considerable advantages since several reaction energies may be simultaneously measured. The main disadvantage of the method is the degradation of the beam quality as it passes through the stack due to statistical nature of energy loss processes and any non-uniformity of the stacked targets. This degradation can lead to ambiguities of associating effective beam energies to reaction product yields for the targets within the stack. A detailed investigation of these ambiguities has been performed and some of the obtained results are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Exosomes secreted from mesenchymal stem cells mediate the regeneration of endothelial cells treated with rapamycin by delivering pro-angiogenic microRNAs

Highlights: • MSC-derived exosomes play an important role in promoting endothelial regeneration treated with rapamycin in vitro. • A distinct class of exosomal miRNAs is identified to be tightly related to endothelial regeneration. • The therapeutic effects of MSC-exosomes may be ascribed to the delivery of pro-angiogenic miRNAs to endothelial cells. • MSC-exosomes may serve as a cell-free therapy for clinical treatment of delayed endothelial healing after DES implantation. Delayed endothelial healing after drug eluting stent (DES) implantation is a critical clinical problem in treatment of coronary artery diseases. Exosomes exhibit proangiogenic potential in a variety of ischemic diseases. However, the association of exosomes with endothelial regeneration after DES implantation has been rarely reported. In this study, we aimed to investigate the therapeutic effects of mesenchymal stem cell (MSC)-derived exosomes on endothelial cells treated with rapamycin and explore the potential mechanisms of MSC-derived exosomes in promoting endothelial regeneration. Exosomes were isolated from MSCs by ultracentrifugation and identified by transmission electron microscopy, nanoparticle tracking analysis, and Western blot assay. The in vitro effects of MSC-derived exosomes on the proliferation and migration of endothelial cells treated with rapamycin were evaluated by integrated experiment, cell counting kit-8, scratch, tube formation, and transwell assays. And the apoptosis of rapamycin-induced endothelial cells loaded with MSC-derived exosomes was detected using TUNEL and Annexin-V FITC and PI double-staining assays. The microRNA (miRNA) cargo of MSC-derived exosomes was identified by high-throughput RNA sequencing. Pro-angiogenic miRNAs and key pathways were further characterized. Our results indicated that MSC-derived exosomes could be ingested into umbilical vein endothelial cells (HUVECs) and significantly enhanced cell proliferation rate, migratory and tube-forming capabilities in vitro. MSC-derived exosomes also inhibited the apoptosis of HUVECs induced by rapamycin. A distinct class of exosomal miRNAs was further identified, including six miRNAs tightly related to neovasculogenesis. Silencing the expression of exosomal miRNA-21–5p and let-7c-5p attenuated the pro-proliferative and pro-migratory capacity of MSC-derived exosomes. Moreover, functional enrichment analysis indicated that metabolic pathways might contribute to reendothelialization. This study highlights a proregenerative effect of MSC-derived exosomes in vitro, which may be partly explained by the delivery of pro-angiogenic miRNAs to endothelial cells.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Evaluation of atmospheric precipitable water from reanalysis products using homogenized radiosonde observations over China

Many multidecadal atmospheric reanalysis products are available now, but their consistencies and reliability are far from perfect. In this work, atmospheric precipitable water (PW) from the National Centers for Environmental Prediction/National Center for Atmospheric Research (NCEP/NCAR), NCEP/Department of Energy (DOE), Modern Era Retrospective-Analysis for Research and Applications (MERRA), Japanese 55 year Reanalysis (JRA-55), JRA-25, ERA-Interim, ERA-40, Climate Forecast System Reanalysis (CFSR), and 20th Century Reanalysis version 2 is evaluated against homogenized radiosonde observations over China during 1979–2012 (1979–2001 for ERA-40). Results suggest that the PW biases in the reanalyses are within ~20% for most of northern and eastern China, but the reanalyses underestimate the observed PW by 20%–40% over western China and by ~60% over the southwestern Tibetan Plateau. The newer-generation reanalyses (e.g., JRA25, JRA55, CFSR, and ERA-Interim) have smaller root-mean-sq uare error than the older-generation ones (NCEP/NCAR, NCEP/DOE, and ERA-40). Most of the reanalyses reproduce well the observed PW climatology and interannual variations over China. However, few reanalyses capture the observed long-term PW changes, primarily because they show spurious wet biases before about 2002. This deficiency results mainly from the discontinuities contained in reanalysis relative humidity fields in the middle-lower troposphere due to the wet bias in older radiosonde records that are assimilated into the reanalyses. An empirical orthogonal function (EOF) analysis revealed two leading modes that represent the long-term PW changes and El Niño–Southern Oscillation-related interannual variations with robust spatial patterns. The reanalysis products, especially the MERRA and JRA-25, roughly capture these EOF modes, which acco unt for over 50% of the total variance. The results show that even during the post-1979 satellite era, discontinuities in radiosonde data can still induce large spurious long-term changes in reanalysis PW and other related fields. Thus, more efforts are needed to remove spurious changes in input data for future long-term reanalyses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Guided-atom laser: Transverse mode quality and longitudinal momentum distribution

We analyze the outcoupling of a matter wave into a guide by a time-dependent spilling of the atoms from an initially trapped Bose-Einstein condensate. This process yields intrinsically a breakdown of the adiabatic condition that triggers the outcoupling of the wave function. Our analysis of the time-dependent engineering and manipulation of condensates in momentum space in this context enables us to work out the limits due to interactions in the mode quality of a guided-atom laser. This study is consistent with recent experimental observations of low transverse excitations of guided-atom lasers and suggests (i) an optimal strategy to realize such quasimonomode guided-atom lasers with, in addition, the lowest possible longitudinal velocity dispersion or alternatively (ii) a strategy for engineering the atomic flux of the atom laser.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Investigation of glass-ceramic lithium thiophosphate solid electrolytes using NMR and neutron scattering

Solid-state Li batteries require solid electrolytes which have high Li+ conductivity and good chemical/mechanical compatibility with Li metal anodes and high energy cathodes. Structure/function correlations which relate local bonding to macroscopic properties are needed to guide development of new solid electrolyte materials. This study combines diffraction measurements with solid-state nuclear magnetic resonance spectroscopy (ssNMR) and neutron pair distribution function (nPDF) analysis to probe the short-range vs. long-range structure of glass-ceramic Li 3 PS 4 -based solid electrolytes. Here, we demonstrate how different synthesis conditions (e.g., solvent selection and thermal processing) affect the resulting polyanionic network. More specifically, structures with high P coordination numbers (e.g., PS 4 3– and P 2 S 7 4– ) correlate with higher Li + mobility compared to other polyanions (e.g., (PS 3 ) n n– chains and P 2 S 6 4– ). Overall, this work demonstrates how ssNMR and nPDF can be used to draw key structure/function correlations for solid-state superionic conductors.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Impact of Anion Vacancies on the Local and Electronic Structures of Iron-Based Oxyfluoride Electrodes

The properties of crystalline solids can be significantly modified by deliberately introducing point defects. Understanding these effects, however, requires understanding the changes in geometry and electronic structure of the host material. Here we report the effect of forming anion vacancies, via dehydroxylation, in a hexagonal tungsten-bronze-structured iron oxyfluoride, which has potential use as a lithium-ion battery cathode. Our combined pair distribution function and density functional theory analysis indicates that oxygen vacancy formation is accompanied by spontaneous rearrangement of fluorine anions and vacancies, producing dual pyramidal (FeF 4 )-O-(FeF 4 ) structural units containing 5-fold-coordinated Fe atoms. The addition of lattice oxygen introduces new electronic states above the top of the valence band, with a corresponding reduction in the optical band gap from 4.05 to 2.05 eV. In conclusion, this band gap reduction relative to the FeF 3 parent material is correlated with a significant improvement in lithium insertion capability relative to a defect-free compound.

36 MATERIALS SCIENCE↗
DOE OSTI2010

On a Model-Independent Representation for the Real Part of the Elastic Hadron Amplitude

The applicability of Martin's Real Part Formula in model-independent analysis of elastic proton-proton scattering is discussed. Good reproduction of all the differential cross section data at high-energies (19.4-62.5 GeV) is obtained through an empirical parametrization for the imaginary part of the amplitude and the use of a representation for the Martin's formula without the scaling property. According to the fit results, the scattering amplitude is predominantly imaginary, except at the dip region. One zero (change of sign) is observed in the imaginary part of the amplitude (dip region) and two zeros in the real part (at small and intermediate values of the momentum transfer).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Structural and Interphasial Stabilities of Sulfurized Polyacrylonitrile (SPAN) Cathode

Sulfurized polyacrylonitrile (SPAN) has attracted a lot of attention because of its low cost, high capacity, and great reversibility. Due to its structural complexity and amorphous nature, reaction mechanism of SPAN is little understood. Here, for this paper, we study the structural and interphasial changes of SPAN using synchrotron-based pair distribution function (PDF) analysis and soft X-ray absorption spectroscopy (sXAS). PDF identifies key structural features, including C–S bond, sulfur dimer, and sulfur chain in SPAN. The sulfur dimer bridging the pyridine network partially converts to sulfur chain during the first charging. In the following cycles, sulfur chain goes through lithiation and delithiation with reversibility dependent on the electrolytes. SXAS reveals surface changes of SPAN. After the first cycle, a negatively charged carbon or fused benzene layer is formed, on top of which is another layer formed by the electrolyte decomposition. The layer formed by localized high concentration electrolyte is stable during cycling.

25 ENERGY STORAGE↗
DOE OSTI2025

Resolving the Solvation Structure and Transport Properties of Aqueous Zinc Electrolytes from Salt-in-Water to Water-in-Salt Using Neural Network Potential

Zn Cl 2 solutions are promising electrolytes for aqueous zinc-ion batteries. Here, we report a joint computational and experimental study of the structural and dynamic properties of aqueous Zn Cl 2 electrolytes with concentrations ranging from salt-in-water to water-in-salt (WIS). By developing a neural network potential (NNP) model, we perform molecular dynamics (MD) simulations with accuracy but at much larger lengths and longer timescales. The NNP predicted structures are validated by the structure factors measured by X-ray total scattering experiments. The MD trajectories provide a comprehensive and quantitative picture of the Zn 2 + solvation shell structures. Additionally, we find that the O − H covalent bonds in water are strengthened with increasing salt concentration, thus expanding the electrochemical stability window of aqueous electrolytes. In terms of dynamic properties, the calculated and experimentally measured conductivities are in good agreement. Through the analysis of the calculated cation transference number, we propose a three-stage charge carrier transport mechanism with increasing concentration: independent ion transport, strongly correlated ion transport, and small positive charge carrier diffusion through negatively charged polymeric clusters. Our study provides fundamental atomic scale insights into the structure and transport properties of the Zn Cl 2 electrolyte that can aid the optimization and development of WIS electrolytes. Published by the American Physical Society 2025

25 ENERGY STORAGE↗
DOE OSTI2012

EVOLUTION OF THE COSMIC MICROWAVE BACKGROUND POWER SPECTRUM ACROSS WILKINSON MICROWAVE ANISOTROPY PROBE DATA RELEASES: A NONPARAMETRIC ANALYSIS

Using a nonparametric function estimation methodology, we present a comparative analysis of the Wilkinson Microwave Anisotropy Probe (WMAP) 1-, 3-, 5-, and 7-year data releases for the cosmic microwave background (CMB) angular power spectrum with respect to the following key questions. (1) How well is the power spectrum determined by the data alone? (2) How well is the {Lambda}CDM model supported by a model-independent, data-driven analysis? (3) What are the realistic uncertainties on peak/dip locations and heights? Our results show that the height of the power spectrum is well determined by data alone for multipole l approximately less than 546 (1-year), 667 (3-year), 804 (5-year), and 842 (7-year data). We show that parametric fits based on the {Lambda}CDM model are remarkably close to our nonparametric fits in l-regions where data are sufficiently precise. In contrast, the power spectrum for an H{Lambda}CDM model is progressively pushed away from our nonparametric fit as data quality improves with successive data realizations, suggesting incompatibility of this particular cosmological model with respect to the WMAP data sets. We present uncertainties on peak/dip locations and heights at the 95% (2{sigma}) level of confidence and show how these uncertainties translate into hyperbolic 'bands' on the acoustic scale (l{sub A} ) and peak shift ({phi}{sub m}) parameters. Based on the confidence set for the 7-year data, we argue that the low-l upturn in the CMB power spectrum cannot be ruled out at any confidence level in excess of about 10% ( Almost-Equal-To 0.12{sigma}). Additional outcomes of this work are a numerical formulation for minimization of a noise-weighted risk function subject to monotonicity constraints, a prescription for obtaining nonparametric fits that are closer to cosmological expectations on smoothness, and a method for sampling cosmologically meaningful power spectrum variations from the confidence set of a nonparametric fit.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Sample shape and boundary dependence of measured transverse thermal properties

In spite of increased interest in thermal Hall measurements for the analysis of insulating quantum materials, there remains large uncertainty in such measurements due to contact misalignment. In this paper, we propose that sample geometry and uncertain boundary conditions provide an additional source of uncertainty in the measurement of $D_{xy}$ or $κ_{xy}$. By running simple simulations in an open source finite-element solver, we demonstrate that measured $D_{xy}$ can be changed by a non-negligible fraction in samples with similar width and length. This geometric corrective factor depends on the distinction between a uniform heat flow and constant temperature boundary couplings to a bath. Sample geometry and boundary conditions can be accounted for through simulation or by using rectangular samples to make thermal Hall measurements more reliable and reproducible. Finally, we detail a contactless optical method for measuring $D_{xy}$ based on an existing photothermal microscope technique. This method is insensitive to the longitudinal diffusivity pollution caused by contact misalignment.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Local atomic structure of thin and ultrathin films via rapid high-energy X-ray total scattering at grazing incidence

Atomic pair distribution function (PDF) analysis is the most powerful technique to study the structure of condensed matter on the length scale from short- to long-range order. Today, the PDF approach is an integral part of research on amorphous, nanocrystalline and disordered materials from bulk to nanoparticle size. Thin films, however, demand specific experimental strategies for enhanced surface sensitivity and sophisticated data treatment to obtain high-quality PDF data. The approach described here is based on the surface high-energy X-ray diffraction technique applying photon energies above 60 keV at grazing incidence. In this way, reliable PDFs were extracted from films of thicknesses down to a few nanometres. Compared with recently published reports on thin-film PDF analysis from both transmission and grazing-incidence geometries, this work brought the minimum detectable film thickness down by about a factor of ten. Depending on the scattering power of the sample, the data acquisition on such ultrathin films can be completed within fractions of a second. Hence, the rapid-acquisition grazing-incidence PDF method is a major advancement in thin-film technology that opens unprecedented possibilities for in situ and operando PDF studies in complex sample environments. By uncovering how the structure of a layered material on a substrate evolves and transforms in terms of local and average ordering, this technique offers new opportunities for understanding processes such as nucleation, growth, morphology evolution, crystallization and the related kinetics on the atomic level and in real time.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Synchrotron X-ray diffraction study of texture evolution in 904L stainless steel under dynamic shock compression

The influence of strain rate on development of deformation texture under a dynamic shock compression of a 904L stainless steel was quantitatively investigated using synchrotron X-ray diffraction and crystallographic orientation distribution function (ODF) analysis. Split-Hopkinson Pressure Bar technique was used to generate a high strain rate of > 103 s-1 for preparing the deformed samples. Starting with an almost random texture in a solution treatment condition, the deformed material developed several typical texture components, such as ‘Goss’ texture and ‘Brass’ texture. Compared to the texture components displayed in the state of quasi-static compression deformation, it was found that the high-speed deformation generated much weaker texture components. In combination with the change in microstructures observed by EBSD and TEM technique, the high-energy X-ray diffraction provides a powerful tool for characterizing the strain-rate dependence of grain rotation at each stage of deformation. The deformation heterogeneity evident in our experiment can be explained by a transition of deformation mechanism from the dislocation/twin-dominated mode to shear-band-dominated one with increasing strain rate.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin-lattice coupling in magnetocaloric Gd 5 ( Ge , Si ) 4 alloys by $in$ $situ$ x-ray pair distribution analysis in magnetic field

Here, using in situ x-ray pair distribution analysis in magnetic field, we study the strong spin-lattice coupling in archetypal magnetocaloric Gd 5 (Ge,Si) 4 alloys manifested by the presence of a first order paramagnetic (PM)-to-ferromagnetic (FM) phase transition that can be triggered by either decreasing temperature in zero magnetic field or increasing magnetic field at constant temperature. We find that the coupling arises from the tendency of Gd-(Si,Ge) slabs in the alloys to reversibly slide against each other to both pack closely and couple ferromagnetically. We also find that, locally, the packing of slabs in FM phases induced by decreasing temperature in zero field is different from that in FM phases of the same chemical composition induced by increasing magnetic field isothermally, indicating that temperature and magnetic field are coupled but not necessarily equivalent control variables for triggering phase transitions in strongly correlated systems.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Focused Evolution of HIV-1 Neutralizing Antibodies Revealed by Structures and Deep Sequencing

Antibody VRC01 is a human immunoglobulin that neutralizes about 90% of HIV-1 isolates. To understand how such broadly neutralizing antibodies develop, we used x-ray crystallography and 454 pyrosequencing to characterize additional VRC01-like antibodies from HIV-1-infected individuals. Crystal structures revealed a convergent mode of binding for diverse antibodies to the same CD4-binding-site epitope. A functional genomics analysis of expressed heavy and light chains revealed common pathways of antibody-heavy chain maturation, confined to the IGHV1-2*02 lineage, involving dozens of somatic changes, and capable of pairing with different light chains. Broadly neutralizing HIV-1 immunity associated with VRC01-like antibodies thus involves the evolution of antibodies to a highly affinity-matured state required to recognize an invariant viral structure, with lineages defined from thousands of sequences providing a genetic roadmap of their development.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Life cycle energy and environmental impacts of hydroprocessed renewable jet fuel production from pennycress

There is a growing interest in making the overall aviation industry more environmentally-friendly by developing advanced biofuels. In this context, the main driver is establishing feedstocks with lower environmental loads and higher energy use efficiency. The objective of this study was to evaluate the energy requirement and environmental impacts of hydroprocessed renewable jet fuel (HRJ) production from pennycress. The system boundary included pennycress production, logistics, oil extraction and conversion to HRJ, wastewater treatment, and electricity and steam generation. Energy allocation method was used for the analysis. The functional unit was considered to be one GJ of HRJ, and the biorefinery size was considered to be 18.9 million l/yr (5 million gal/yr) HRJ. Energy use efficiency of pennycress-based HRJ production was estimated to be 3.9–5.5 (90% central range), which was higher than that of HRJ from other oilseeds, such as canola. Global warming potential of pennycress-based HRJ (35–49 kgCO 2 eq/GJ of HRJ (90% central range)) was also lower than those of HRJ from similar oilseeds and the commercial jet fuel baseline. Pennycress production was the main contributor to the total energy use and environmental impacts of HRJ production, mainly due to the use of nitrogen fertilizer for production, and fuel combustion for farm operations. Pennycress yield was identified as the most sensitive parameter affecting the energy use efficiency and environmental impacts of HRJ production. Furthermore, the outcomes of this study are useful for identifying the performance targets towards improving energy use efficiency and environmental performance of pennycress-based HRJ production at the commercial scale.

09 BIOMASS FUELS↗
DOE OSTI2018

GPUs as boosters to analyze scalar and vector fields in quantum chemistry

We report that the analysis of scalar and vector fields in quantum chemistry is an essential task for the computational chemistry community, where such quantities must be evaluated rapidly to perform a particular study. For example, the atoms in molecules approach proposed by Bader has become popular; however, this method demands significant computational resources to compute the involved tasks in short times. In this article, we discuss the importance of graphics processing units (GPU) to analyze electron density, and related fields, implementing several scalar, and vector fields within the graphics processing units for atoms and molecules (GPUAM) code developed by a group of the Universidad Autónoma Metropolitana in México City. With this application, the quantum chemistry community can perform demanding computational tasks on a desktop, where CPUs and GPUs are used to their maximum capabilities. Lastly, the performance of GPUAM is tested in several systems and over different GPUs, where a GPU installed in a workstation converts it to a robust high-performance computing system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗