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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

OpenFOAM Simulations of Atmospheric-Entry Capsules in the Subsonic Regime

The open-source Computational Fluid Dynamics software OpenFOAM is gaining wider acceptance in industry and academia for incompressible flow simulations. To date, there has been relatively little utilization of OpenFOAM for compressible external aerodynamic applications. The numerous turbulence models available in OpenFOAM makes it an attractive option for evaluating alternate Reynolds-Averaged Navier-Stokes (RANS) turbulent models to assess separated flow on atmospheric entry vehicles in the subsonic regime, where traditional turbulent models show reduced accuracy. This paper presents simulations of an axisymmetric capsule geometry at subsonic conditions using an OpenFOAM compressible flow solver. These results are compared with results from the NASA CFD code OVERFLOW and experimental data. These OpenFOAM simulations serve as a basis to explore OpenFOAMs extended turbulence models on compressible separated flows such as found on entry capsules.

Nikaido, Ben E.↗
NASA NTRSDate not supplied

Fast Radiative Transfer Model and Retrieval Algorithm Development for Satellite Remote Sensing Applications

The radiative transfer model (RTM) has a wide range of applications in satellite remote sensing and atmospheric radiation studies. For example, it can be used as a forward model for an inversion algorithm and a satellite data assimilation system, or as a L1 data simulator for pre-launch end-to-end satellite sensor performance studies. However, millions of line-by-line (LBL) radiative transfer calculations at fine monochromatic frequencies are needed in order to properly calculate spectral contributions of water vapor and trace gases in the atmosphere in infrared and solar spectral regions. Therefore, fast, and accurate radiative transfer models are needed. A Principal Component-based radiative transfer model (PCRTM) was developed at NASA Langley to fulfil this need. The PCRTM can simulate the top-of-atmosphere (TOA) radiance or reflectance spectra from 250 nm to 2000 micrometers with several orders of magnitude faster speed as compared to a LBL RTM. It is also extremely accurate compared to LBL RTM benchmarks. The PCRTM model has been developed for hyperspectral sensors such as AIRS, CrIS, IASI, NAST-I, SHIS, CPF, TEMPO, EMIT, OMI, and SCIAMACHY. By using the PCRTM as forward model for an inversion algorithm, one can reduce the data dimension significantly while maintaining original information content by compressing the TOA radiance spectrum into PC-scores. The PCRTM can directly compute the PC-scores and their derivatives with respect to retrieved parameters. Examples of using various PCRTM inversion algorithms to retrieve atmospheric temperature, water vapor, and trace gas profiles, as well as cloud and surface properties from satellite hyperspectral remote sensors will be given. Some of the algorithms have been transitioned to NASA's Goddard Earth Sciences Data and Information Services Center (GES DISC) for public access of high-quality L2 and L3 data.

Xu Liu↗
DOE OSTI2023

Automated phase segmentation and quantification of high-resolution TEM image for alloy design

In the alloy design and development process, a wealth of atomically resolved structural high-resolution transmission electron microscopy (HRTEM) images are produced. Identifying the different nano-precipitate phases and tracking their evolution under various compositions and during manufacturing or post-processing requires hundreds of HRTEM images and thousands of precipitates. The nanoscopic phase information labeling and analysis purely relies on humans are prohibitively costly and time-consuming, sometimes not reliable because of the lack of authoritative knowledge. Here, in this work, we develop a novel unsupervised machine learning approach coupled with adaptive computer vision techniques with features in the Fourier space to automatically determine the number of phases and segment/quantify the phases with nanoscale resolution, allowing for quantitative correlation between nanostructure formation, processing and functional properties. To automate the phase extraction/quantification and ascertain its applicability, we have applied the developed framework to the HRTEM images from several alloy systems, processing conditions, image magnifications, and phase types and morphologies (precipitates, nano-twins, stacking faults, crystalline matrix, and amorphous structures) for verification. This study paves the road for compression, visualization, and translation of raw image structural data into physically relevant information in real-time with minimal human supervision. It shows the promise of enabling high-throughput materials characterization for the acceleration of alloy manufacturing and design.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Helium Incorporation into Scandium Fluoride, a Model Negative Thermal Expansion Material

Scandium trifluoride is a model negative thermal expansion (NTE) material. Its simple structure can be described as an A-site vacant perovskite, and it shows isotropic NTE over a very wide temperature range (up to ~1100 K), due to transverse vibrational motion of the fluoride. Like many framework NTE materials, it undergoes a phase transition at low pressures, adopting a rhombohedral (R3̅c) structure at >0.7 GPa and 300 K in commonly used nonpenetrating pressure media, such as silicone oil. High pressure X-ray diffraction data and gas uptake/release measurements indicate that, on compression in helium above ~200 K, helium is inserted into ScF 3 to form the defect perovskite He x ScF 3 . The incorporation of helium stiffens the structure and changes its phase behavior. At room temperature, complete filling of the structure with helium does not occur until >1.5 GPa. On compression, a cubic perovskite structure is maintained until ~5 GPa. As the pressure was increased to ~9.5 GPa, a further transition occurred at ~7 GPa. The first transition at ~5 GPa is likely to a tetragonal (P4/mbm) perovskite, but the detailed structure of the perovskite phase formed on compression above ~7 GPa is unclear. Cooling down from 300 to 100 K in helium at ~0.4 GPa leads to an approximate composition of He 0.1 ScF 3 . High pressure neutron diffraction measurements, in the temperature range 15–150 K show that the incorporation of helium increases the pressure at which the cubic (Pm3̅m) to rhombohedral (R3̅c) putative quantum structural phase transition occurs from close to 0 GPa to ~0.2 GPa at 0 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Exploring the Electrochemical Stability Window of an All-Solid-State Composite Cathode via a Novel Operando Tender XPS Setup

All-solid-state batteries (ASSBs) have the potential to provide greater energy density than conventional batteries based on liquid electrolytes. Here, an operando ASSB cell setup for tender X-ray photoelectron spectroscopy (XPS) was developed, and the interface of a Ni-rich layered transition metal oxide cathode active material (CAM) and an Li 6 PS 5 Cl (LPSCl) solid electrolyte (SE) was evaluated during initial charge/discharge cycles. After validating the cell performance against a conventional pouch cell operated at high compression, intermittent galvanostatic cycling was performed, and XPS data were recorded as a function of state of charge (SOC). Upon the initial charge of the cell to ≈3.3 V Li , the LPSCl appears to decompose into LiCl, Li 3 PS 4 , and polysulfides, whose amount gradually increases with potential. Upon further charge, at a potential higher than ≈3.8 V Li , initially, present sulfate and sulfite impurities decompose, and at ≈74% SOC (corresponding to a cathode potential of ≈4.10 V Li ), surface reconstruction of the CAM particles due to lattice oxygen release is detected. In addition, at potentials beyond ≈4.6 V Li , a decrease of the S 1s counts of the sum of the LPSCl, the thiophosphate, and polysulfide species suggests the formation of elemental sulfur that is lost via sublimation into the vacuum chamber.

25 ENERGY STORAGE↗
DOE OSTI2022

Phase transformation path in Aluminum under ramp compression; simulation and experimental study

Abstract We present a framework based on non-equilibrium molecular dynamics (NEMD) to reproduce the phase transformation event of Aluminum under ramp compression loading. The simulated stress-density response, virtual x-ray diffraction patterns, and structure analysis are compared against the previously observed experimental laser-driven ramp compression in-situ x-ray diffraction data. The NEMD simulations show the solid–solid phase transitions are consistent to experimental observations with a close-packed face-centered cubic (fcc) (111), hexagonal close-packed (hcp) structure (002), and body-centered cubic bcc (110) planes remaining parallel. The atomic-level analysis of NEMD simulations identifiy the exact phase transformation pathway happening via Bain transformation while the previous in situ x-ray diffraction data did not provide sufficient information for deducing the exact phase transformation path.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fast strength model characterization using Bayesian statistics

A variety of flow stress models exist with new models constantly being developed. These models aim to approximate the strength of materials in a variety of regimes from quasistatic loading through shock scenarios. All models contain an array of parameters which need to be tuned to the material under study. Some models perform well under limited conditions, requiring adjustment of the parameters when venturing outside of those predefined ranges. Other models perform well over a wide range of conditions with a set of parameters, but may be outperformed by other models optimized on a tighter range of conditions. Recent research by Los Alamos demonstrated the ability to optimize the Johnson Cook (JC) model using a set of 3 plate-impact experiments on Aluminum. They utilized Bayesian statistics and emulation to determine optimal parameters for the model with a quantification of parameter uncertainty. We present an extension of this capability to incorporate velocimetry from plate-impact tests, stress-strain data from split Hopkinson pressure bar and quasistatic compression tests, plus profiles from Taylor cylinders in a unified fashion. Statistically robust comparisons of the performance and uncertainty of different realizations of the JC flow stress model were carried out based on calibration to several possible combinations of these three different experiment types.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A Quantum-Classical Collaborative Training Architecture Based on Quantum State Fidelity

Recent advancements have highlighted the limitations of current quantum systems, particularly the restricted number of qubits available on near-term quantum devices. This constraint greatly inhibits the range of applications that can leverage quantum computers. Moreover, as the available qubits increase, the computational complexity grows exponentially, posing additional challenges. Consequently, there is an urgent need to use qubits efficiently and mitigate both present limitations and future complexities. To address this, existing quantum applications attempt to integrate classical and quantum systems in a hybrid framework. In this study, we concentrate on quantum deep learning and introduce a collaborative classical-quantum architecture called co-TenQu. The classical component employs a tensor network for compression and feature extraction, enabling higher-dimensional data to be encoded onto logical quantum circuits with limited qubits. On the quantum side, we propose a quantum-state-fidelity-based evaluation function to iteratively train the network through a feedback loop between the two sides. co-TenQu has been implemented and evaluated with both simulators and the IBM-Q platform. Compared to state-of-the-art approaches, co-TenQu enhances a classical deep neural network by up to 41.72% in a fair setting. Additionally, it outperforms other quantum-based methods by up to 1.9 times and achieves similar accuracy while utilizing 70.59% fewer qubits.

42 ENGINEERING↗
DOE OSTI2021

SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 3 (Raw Temperature Replica Exchange Molecular Dynamics Trajectories)

Raw temperature replica-exchange molecular dyanmics trajectories of 23 different SARS CoV-2 Systems including S Protein ACE2-receptor binding-domain, MPro, PLPro, NSP3 ADRP (X-domain/macrodomain/phosphatase), NSP15 (endoribonuclease), NSP9, NSP10, NSP16, and N-protein N-terminus. Systems were prepared with charmm-gui and simulated using the GROMACS simulation software suite. Non-demuxed, i.e. discontinuous/constant temperature window, trajectories are provided in compressed GROMACS xtc and full trr formats. This data supplements the data releases DOI: 10.13139/OLCF/160650 'SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 1 (Simulation Initial Conditions and Parameters)' and DOI: 10.13139/OLCF/1657844 'SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 2 (Extracted Protein Coordinate Trajectories)'

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Drifting Acoustic Measurements around C-Power's SeaRay WEC

The repository contains underwater noise measurements and associated metadata collected around C-Power's SeaRay wave energy converter on July 15, 2024 and July 16, 2024 while it was deployed at the U.S. Navy's Wave Energy Test Site (WETS) in Kaneohe, HI. Measurements were obtained using Drifting Acoustic Instrumentation SYstems (DAISYs). DAISYs consist of a surface expression connected to a hydrophone recording package by a tether. Both elements are instrumented to provide metadata (e.g., position, orientation, and depth). Information about how to build DAISYs is available at https://www.pmec.us/research-projects/daisy. The repository's primary content is a compressed archive (.zip format), containing multiple MATLAB binary data files (.mat format). The structure of each file is included in the repository as a Word document (Data Description MHK-DR.docx). Each file contains time series information for a single DAISY deployment (file naming convention: WETS_DAISY_[Drift #].mat) consisting of processed hydrophone data and associated metadata. During these measurements, C-Power's SeaRay was located at approximately 21.48112 N, 157.74451 W.

16 TIDAL AND WAVE POWER↗
DOE OSTI2026

Progress Update on the In Situ Load Retention Aging Vessel

To improve upon our conventional thermally accelerated aging study methods which require periodic interruption of aging to perform load testing in an Instron machine, a new aging system is being developed to: (1) automate/facilitate data acquisition/analysis, (2) improve data quality, and (3) enable uninterrupted aging conditions (compression, temperature, atmosphere) which represents the service condition. In FY24, a thermal aging vessel instrumented with load cells was fabricated and tested. That unit demonstrated the primary function of the vessel: to continuously monitor the in situ load retention of up to three compressed polymer coupons undergoing thermally accelerated aging under nitrogen. A secondary objective, not realized in the unit due to inadequate sealing, was to enable a single initial nitrogen backfill (as opposed to a continuous purge) and gas sampling of the vessel headspace during thermal aging. Heating of the vessel was achieved using a custom heater jacket.

36 MATERIALS SCIENCE↗
NASA NTRS1973

A provisional analysis of two-dimensional turbulent mixing with variable density

A predictive method for the titled flows based on the Prandtl energy method was developed and assessed by comparing predicted results with experimental results. For constant-density flows, both gross properties such as spreading rate and maximum turbulent kinetic energy and detailed properties such as mean shear stress distributions are shown to be well predicted. For variable-density flows, considerable attention is devoted to the inclusion in the analysis of the added effect of pressure fluctuations and of the variation in the several extant empirical parameters on the turbulent kinetic energy. It is found that a variation with Mach number of the characteristic Reynolds number for turbulent transport is needed to account for the observed decrease in spreading rate. The predictions which result from these considerations are compared with the limited experimental data presently available for the two crucial cases: compressible adiabatic mixing and low-speed isothermal mixing of two dissimilar gases.

Libby, P. A.↗
NASA NTRS1974

Results of investigating the physicomechanical properties of a sample of lunar surface material in a research chamber in nitrogen

Results are reported on an investigation of the mechanical properties of the lunar surface material sample returned by the Luna 16 automatic station. The study included determination of the specific weight of the surface material, the nature of its disintegration, and the determination of its compressibility characteristics, shear resistance, and bearing capacity. Quantitative data are presented on mechanical properties for the lunar surface material, many of which are determined for the first time. The instruments and experimental techniques are described.

Leonovich, A. K.↗
NASA NTRS1974

Seasat and polar ice

The instrument package for SEASAT-A possesses three tools that could give data greatly needed in ice cap research: the Compressed Pulse Radar Altimeter (CPRA), the Coherent Imaging Radar (CIR), and the Scanning Multifrequency Microwave Radiometer (SMMR). Certain problems that can be studied with each sensor are discussed.

Campbell, W. J.↗
NASA NTRS1976

Ground data handling for LANDSAT-D

The present plans for the LANDSAT D ground data handling are described in relationship to the mission objectives and the planned spacecraft system. The end to end data system is presented with particular emphasis on the data handling plans for the new instrument, the Thematic Mapper. This instrument generates ten times the amount of data per scene as the present Multispectral Scanner, and this resulting data rate and volume are discussed as well as possible new data techniques to handle them such as image compression.

Lynch, T. J.↗
NASA NTRS1977

Ground data handling for Landsat-D

The present plans for the Landsat-D ground data handling are described in relationship to the mission objectives and the planned spacecraft system. The end-to-end data system is presented with particular emphasis on the data handling plans for the new instrument, the Thematic Mapper. This instrument generates ten times the amount of data per scene as the present Multispectral Scanner and this resulting data rate and volume are discussed as well as possible new data techniques to handle them - such as image compression.

Lynch, T. J.↗