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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

The structure and evolution of X-ray clusters of galaxies

Einstein Observatory observations of the structures of nearby X-ray clusters of galaxies are discussed in relation to dynamic cluster evolution. Examples of Virgo-type clusters, in which cool and hot gas associated with cluster members are presented and variations in surface brightness profile and the location of the cluster center are used to classify the observed clusters. The types of clusters observed are interpreted in terms of dynamic cluster evolution, with Virgo-type clusters with broad, highly clumped emission and low velocity dispersion representing early evolutionary stages, clusters containing a cD galaxy formed as the cluster evolves, and clusters with dominant galaxies and Coma-type clusters representing an equilibrium stage. X-ray emission from poor clusters of galaxies is also considered, and similarities between the presumably collisionally formed cD galaxies in rich and poor clusters are noted. Finally, observations of distant clusters are discussed, and it is noted that their analysis will lead to a better determination of the evolutionary sequence.

Jones, C.↗
NASA NTRS2004

An Empirical Cumulus Parameterization Scheme for a Global Spectral Model

Realistic vertical heating and drying profiles in a cumulus scheme is important for obtaining accurate weather forecasts. A new empirical cumulus parameterization scheme based on a procedure to improve the vertical distribution of heating and moistening over the tropics is developed. The empirical cumulus parameterization scheme (ECPS) utilizes profiles of Tropical Rainfall Measuring Mission (TRMM) based heating and moistening derived from the European Centre for Medium- Range Weather Forecasts (ECMWF) analysis. A dimension reduction technique through rotated principal component analysis (RPCA) is performed on the vertical profiles of heating (Q1) and drying (Q2) over the convective regions of the tropics, to obtain the dominant modes of variability. Analysis suggests that most of the variance associated with the observed profiles can be explained by retaining the first three modes. The ECPS then applies a statistical approach in which Q1 and Q2 are expressed as a linear combination of the first three dominant principal components which distinctly explain variance in the troposphere as a function of the prevalent large-scale dynamics. The principal component (PC) score which quantifies the contribution of each PC to the corresponding loading profile is estimated through a multiple screening regression method which yields the PC score as a function of the large-scale variables. The profiles of Q1 and Q2 thus obtained are found to match well with the observed profiles. The impact of the ECPS is investigated in a series of short range (1-3 day) prediction experiments using the Florida State University global spectral model (FSUGSM, T126L14). Comparisons between short range ECPS forecasts and those with the modified Kuo scheme show a very marked improvement in the skill in ECPS forecasts. This improvement in the forecast skill with ECPS emphasizes the importance of incorporating realistic vertical distributions of heating and drying in the model cumulus scheme. This also suggests that in the absence of explicit models for convection, the proposed statistical scheme improves the modeling of the vertical distribution of heating and moistening in areas of deep convection.

Rajendran, K.↗
DOE OSTI2015

Dynamics and density distributions in a capillary-discharge waveguide with an embedded supersonic jet

We present an analysis of the gas dynamics and density distributions within a capillary-discharge waveguide with an embedded supersonic jet. This device provides a target for a laser plasma accelerator which uses longitudinal structuring of the gas-density profile to enable control of electron trapping and acceleration. The functionality of the device depends sensitively on the details of the density profile, which are determined by the interaction between the pulsed gas in the jet and the continuously-flowing gas in the capillary. These dynamics are captured by spatially resolving recombination light from several emission lines of the plasma as a function of the delay between the jet and the discharge. We provide a phenomenological description of the gas dynamics as well as a quantitative evaluation of the density evolution. In particular, we show that the pressure difference between the jet and the capillary defines three regimes of operation with qualitatively different longitudinal density profiles and show that jet timing provides a sensitive method for tuning between these regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Optimal Control of an Oscillating Surge Wave Energy Converter

During this project, we experimentally investigated the hydrodynamics and performance of a laboratory-scale oscillating surge wave energy converter (OSWEC).We looked at how flap buoyancy and driveline losses (primarily in the form of stiction) affected the dynamics and performance of the device. In addition, we assessed the influence of flap profile (rounded vs. square edges) on OSWEC hydrodynamics. Through this, we were able to develop a deeper understanding of OSWEC performance and provide guidance on strategies to counteract artifacts that may be present in laboratory models, but are absent in field-scale devices. To do this, we tested a laboratory-scale OSWEC in the Sea Wave Environmental Lab (SWEL) wave tank at the National Renewable Energy Laboratory (NREL). We ran several types of experiments to investigate the hydrodynamics and performance of the device. Overall, we achieved the overall goal of experimentally investigating the hydrodynamics and performance of this device. We discovered important and unexpected trends in performance, and collected time-resolved data to help us further investigate the underlying hydrodynamics responsible for these trends. In addition, we are currently using the time-resolved data from these experiments to build data-driven models of the dynamics, which can in turn be used to inform data-driven model predictive control of this device and address this objective in the future.

16 TIDAL AND WAVE POWER↗
NASA NTRS2007

PAB3D Simulations for the CAWAPI F-16XL

Numerical simulations of the flow around F-16XL are performed as a contribution to the Cranked Arrow Wing Aerodynamic Project International (CAWAPI) using the PAB3D CFD code. Two turbulence models are used in the calculations: a standard k-! model, and the Shih-Zhu-Lumley (SZL) algebraic stress model. Seven flight conditions are simulated for the flow around the F-16XL where the free stream Mach number varies from 0.242 to 0.97. The range of angles of attack varies from 0° to 20°. Computational results, surface static pressure, boundary layer velocity profiles, and skin friction are presented and compared with flight data. Numerical results are generally in good agreement with flight data, considering that only one grid resolution is utilized for the different flight conditions simulated in this study. The ASM results are closer to the flight data than the k-ε model results. The ASM predicted a stronger primary vortex, however, the origin of the vortex and footprint is approximately the same as in the k-ε predictions.

Flight Data↗
DOE OSTI2023

Drought Shifts Sorghum Root Metabolite and Microbiome Profiles and Enriches for Pipecolic Acid

Plant-associated microbial communities shift in composition as a result of environmental perturbations, such as drought. It has been shown that Actinobacteria are enriched in plant roots and rhizospheres during drought stress. However, the correlations between microbiome dynamics and plant response to drought are poorly understood. Here we apply a combination of bacterial community composition analysis and plant metabolite profiling in Sorghum bicolor roots, rhizospheres, and soil during drought and drought recovery to investigate potential contributions of host metabolism to shifts in bacterial composition. Our results provide a detailed view of metabolic shifts across the plant root during drought and show that the response to rewatering differs between root and soil; additionally, we identify drought-responsive metabolites that are highly correlated with the observed changes in Actinobacteria abundance. Furthermore, we find that pipecolic acid is a drought-enriched metabolite in sorghum roots, and that exogenous application of pipecolic acid inhibits root growth. Finally, we show that this activity functions independent of the systemic acquired resistance pathway and has the potential to impact Actinobacterial taxa within the root microbiome.

165 RRNA↗
DOE OSTI2023

Analysis of Organic Electron Materials using Neutron Scattering (Final Report)

Neutron scattering is a powerful suite of measurement techniques that enable unique analysis of structure and dynamics of a wide variety of materials. Specifically, neutrons interact strongly with protons, which enables excellent contrast in light element organic materials that cannot be obtained with any other measurements. This series of three proposals focused on using inelastic neutron scattering (INS) to study the vibrations (dynamics) of the organic molecules involved in organic electronic devices. Our main goals were to demonstrate that INS is capable of elucidating new, useful, and unique knowledge about organic electronic samples that could be used to improve the function of devices or to solve outstanding problems that could not be solved using other measurement techniques. Since all of the goal involved using INS or other neutron techniques to do something “new” a large part of the effort was focused on complex data interpretation and development of modeling workflows that could be used by other members of the organic electronics community to study their materials. To facilitate the goal of making INS measurements more accessible to a broader community and for a wider range of materials, we optimized and engineered the computational workflows to be well documented, publicly available, and user friendly. The individual titles of the three sequential DOE-BES awards are: (1) Engineering doping profiles in organic semiconducting materials, (2) Measurement and modeling of molecular dopant structure and dynamics, and (3) Quantification of Dynamic Disorder in Electronic and Excitonic Organic Materials. For readability, this report is organized to highlight the progress of the research thematically. Many of the ideas started in one grant period and then spilled over into later awards and collaborative research.

36 MATERIALS SCIENCE↗
DOE OSTI2020

GaAs growth rates of 528 μm/h using dynamic-hydride vapor phase epitaxy with a nitrogen carrier gas

Herein we demonstrate record GaAs growth rates approaching 530 μm/h using nitrogen carrier gas and 400 μm/h using hydrogen carrier gas in a dynamic-hydride vapor phase epitaxy reactor. We measured root mean square surface roughness below 1 nm using a 1 μm × 1 μm atomic force microscopy scan for GaAs growth rates up to 483 μm/h using a nitrogen carrier gas and 400 μm/h using a hydrogen carrier gas. We performed computational fluid dynamics modeling to study the effect of the carrier gas choice on the thermal profile within the reactor and how that influences the degree of AsH 3 decomposition. The modeling suggests that the lower thermal conductivity of the nitrogen carrier gas minimizes the amount of AsH 3 that thermally decomposes before reaching the wafer surface and the heavier atomic mass decreases the likelihood that AsH 3 will reach the heated reactor walls, leading to a growth rate enhancement relative to the hydrogen carrier case in a hydride-enhanced growth regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Rayleigh/raman Greenland Lidar Observations of Atmospheric Temperature During a Major Arctic Stratospheric Warming Event

Between Jan. 22 1991 to Feb. 5 1991, we made numerous observations of atmospheric temperature profiles between 10 and 70 km by using the combination of Rayleigh and Raman lidar systems contained in the PL Mobile Lidar Facility located at the National Science Foundation Incoherent Radar Facility of Sondrestrom in Greenland. The purpose of these measurements was to observe the dynamics of the winter Arctic stratosphere and mesosphere regions during a winter period from the succession of temperature profiles obtained in our campaign observations. Various aspects of this investigation are presented.

Meriwether, John W.↗
DOE OSTI2014

Excitation and recombination dynamics of vacancy-related spin centers in silicon carbide

We generate silicon vacancy related defects in high-quality epitaxial silicon carbide layers by means of electron irradiation. By controlling the irradiation fluence, the defect concentration is varied over several orders of magnitude. We establish the excitation profile for optical pumping of these defects and evaluate the optimum excitation wavelength of 770 nm. We also measure the photoluminescence dynamics at room temperature and find a monoexponential decay with a characteristic lifetime of 6.1 ns. The integrated photoluminescence intensity depends linear on the excitation power density up to 20 kW/cm{sup 2}, indicating a relatively small absorption cross section of these defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Probing Clustering Dynamics between Silicon and PAA or LiPAA Slurries under Processing Conditions

This work explores the complex interplay between slurry aggregation, agglomeration, and conformation (i.e., shape) of poly(acrylic acid) (PAA)- and lithiated PAA-based silicon slurries as a function of the shear rate and the resulting slurry homogeneity. These values were measured by small-angle neutron scattering (SANS) and rheology-coupled ultra-SANS at conditions relevant to battery electrode casting. Different binder solution preparation methods, either a ball milling (BM) process or a planetary centrifugal mixing (PCM) process, dramatically modify the resulting polymer dynamics and organization around a silicon material. This is due to the different energy profiles of mixing where the more violent and higher energy PCM causes extensive breakdown and reformation of the binder, which is now likely in a branched conformation, while the lower energy BM results in simply lower-molecular weight linear polymers. In conclusion, the breakdown and reorganization of the polymer structure affect silicon slurry homogeneity, which affects subsequent electrode architecture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Computational Design of Miniproteins as SARS-CoV-2 Therapeutic Inhibitors

A rational therapeutic strategy is urgently needed for combating SARS-CoV-2 infection. Viral infection initiates when the SARS-CoV-2 receptor-binding domain (RBD) binds to the ACE2 receptor, and thus, inhibiting RBD is a promising therapeutic for blocking viral entry. In this study, the structure of lead antiviral candidate binder (LCB1), which has three alpha-helices (H1, H2, and H3), is used as a template to design and simulate several miniprotein RBD inhibitors. LCB1 undergoes two modifications: structural modification by truncation of the H3 to reduce its size, followed by single and double amino acid substitutions to enhance its binding with RBD. We use molecular dynamics (MD) simulations supported by ab initio density functional theory (DFT) calculations. Complete binding profiles of all miniproteins with RBD have been determined. The MD investigations reveal that the H3 truncation results in a small inhibitor with a -1.5 kcal/mol tighter binding to RBD than original LCB1, while the best miniprotein with higher binding affinity involves D17R or E11V + D17R mutation. DFT calculations provide atomic-scale details on the role of hydrogen bonding and partial charge distribution in stabilizing the minibinder:RBD complex. This study provides insights into general principles for designing potential therapeutics for SARS-CoV-2.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Dynamic compression and spallation behavior of NbTaTiVZr high-entropy alloy

High-entropy alloys are a new class of materials with promising properties for aerospace and defense applications. The unique behavior of these materials is driven by the complex interactions between dissimilar atoms in a crystal and requires combined theoretical and experimental efforts to unlock their full potential. Here, we evaluate the relationship between the microstructure and the dynamic response of the equiatomic NbTaTiVZr alloy. Specifically, the shock Hugoniot, or equation of state, was measured up to a particle velocity of 0.5 mm μs −1 using gas gun plate impacts. Shock wave profile and incipient spallation experiments were used to characterize wave propagation and damage formation with post-mortem recovery experiments. Molecular dynamics simulations confirm the experimental findings and extend them up to 2.1 mm μs −1 particle velocity. Computational thermodynamic calculation of phase diagram simulations explain details of the material microstructure, which explains the measured strength and experimental damage patterns. Overall, this work provides detailed high-strain-rate characterization of a refractory high-entropy alloy, and more importantly, a framework and demonstration of the utility and necessity of a combined theoretical and experimental approach, outlining the importance of considering processing and manufacturing conditions when evaluating the performance of new materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Transplatformer: translating toxicogenomic profiles between generations of platforms

Background Transcriptomic profiling technologies have advanced the analysis of biological and toxicological responses. However, substantial differences in probe design, dynamic range, gene coverage, and preprocessing pipelines across platforms introduce artifacts that limit cross-study integration and hinder the reuse of historical datasets. We aim to develop computational methods for accurate cross-platform translation to maximize the value of legacy resources. Results We present TransPlatformer a deep learning framework for translating gene expression profiles across heterogeneous toxicogenomics platforms. TransPlatformer employs a novel attention-based architecture to map high-dimensional fold-change vectors from legacy microarray technologies to current platforms. Models are trained and evaluated using DrugMatrix, spanning three technological generations. We investigate mixed-tissue, single-tissue, and cross-tissue training paradigms and benchmark performance against multilayer perceptron and matrix-completion baselines. In mixed-tissue training, TransPlatformer achieves a greater than 50% reduction in mean absolute error (0.043 vs. 0.09) and nearly doubles Pearson correlation ( ≈ 0.71 vs. 0.37) relative to baseline methods. Importantly, TransPlatformer preserves rare but biologically meaningful over- and under-expressed signals, with mean absolute error below 0.22. Single-tissue models yield further improvements for well-represented organs, such as a 10% reduction in liver mean absolute error, while underscoring the need for data augmentation strategies in low-sample tissues.ra Conclusions TransPlatformer provides an effective and scalable computational solution for cross-platform transcriptomic translation. By enabling biologically faithful harmonization of gene expression data, the proposed approach facilitates the reuse of legacy toxicogenomics datasets, enhances downstream biomarker discovery, and supports more reproducible predictive modeling in toxicology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

DNA Reaction–Diffusion Attractor Patterns

Abstract Living systems can form and recover complex chemical patterns with precisely sized features in the ranges of tens or hundreds of microns. We show how designed reaction–diffusion processes can likewise produce precise patterns, termed attractor patterns, that reform their precise shape after being perturbed. We use oligonucleotide reaction networks, photolithography, and microfluidic delivery to form precisely controlled attractor patterns and study the responses of these patterns to different localized perturbations. Linear and “hill”‐shaped patterns formed and stabilized into shapes and at time scales consistent with reaction–diffusion models. When patterns were perturbed in particular locations with UV light, they reliably reformed their steady‐state profiles. Recovery also occurred after repeated perturbations. By designing the far‐from‐equilibrium dynamics of a chemical system, this study shows how it is possible to design spatial patterns of molecules that are sustained and regenerated by continually evolving towards a specific steady state configuration.

Dorsey, Phillip James↗
DOE OSTI2020

Calibration, measurement, and characterization of soil moisture dynamics in a central Amazonian tropical forest

Soil moisture plays a key role in hydrological, biogeochemical, and energy budgets of terrestrial ecosystems. Accurate soil moisture measurements in remote ecosystems such as the Amazon are difficult and limited because of logistical constraints. Time domain reflectometry (TDR) sensors are widely used to monitor soil moisture and require calibration to convert the TDR's dielectric permittivity measurement (K a ) to volumetric water content (θ v ). In this study, our objectives were to develop a field-based calibration of TDR sensors in an old-growth upland forest in the central Amazon, to evaluate the performance of the calibration, and then to apply the calibration to determine the dynamics of soil moisture content within a 14.2 -m-deep vertical soil profile. Depth-specific TDR calibration using local soils in a controlled laboratory setting yielded a novel K a –θ v third-degree polynomial calibration. The sensors were later installed to their specific calibration depth in a 14.2-m pit. The widely used K a –θ v relationship (Topp model) underestimated the site-specific θ v by 22–42%, indicating significant error in the model when applied to these well-structured, clay-rich tropical forest soils. The calibrated wet- and dry-season θ v data showed a variety of depth and temporal variations highlighting the importance of soil textural differentiation, root uptake depths, as well as event to seasonal precipitation effects. Data such as these are greatly needed for improving our understanding of ecohydrological processes within tropical forests and for improving models of these systems in the face of changing environmental conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Profiling Production OpenSHMEM Applications, In: OpenSHMEM 2016: OpenSHMEM and Related Technologies. Enhancing OpenSHMEM for Hybrid Environments

Developing high performance OpenSHMEM applications routinely involves gaining a deeper understanding of software execution, yet there are numerous hurdles to gathering performance metrics in a production environment. Most OpenSHMEM performance profilers rely on the PSHMEM interface but PSHMEM is an optional and often unavailable feature. We present a tool that generates direct measurement performance profiles of OpenSHMEM applications even when PSHMEM is unavailable. The tool operates on dynamically linked and statically linked application binaries, does not require debugging symbols, and functions regardless of compiler optimization level. Integrated in the TAU Performance System, the tool uses automatically-generated wrapper libraries that intercept OpenSHMEM API calls to gather performance metrics with minimal overhead. Dynamically linked applications may use the tool without modifying the application binary in any way.

Computer Science↗
DOE OSTI2015

Giant optical enhancement of strain gradient in ferroelectric BiFeO 3 thin films and its physical origin

Through mapping of the spatiotemporal strain profile in ferroelectric BiFeO 3 epitaxial thin films, we report an optically initiated dynamic enhancement of the strain gradient of 10 5 –10 6 m -1 that lasts up to a few ns depending on the film thickness. Correlating with transient optical absorption measurements, the enhancement of the strain gradient is attributed to a piezoelectric effect driven by a transient screening field mediated by excitons. In conclusion, these findings not only demonstrate a new possible way of controlling the flexoelectric effect, but also reveal the important role of exciton dynamics in photostriction and photovoltaic effects in ferroelectrics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗