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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A coupled ordinates method for solution acceleration of rarefied gas dynamics simulations

Non-equilibrium rarefied flows are frequently encountered in a wide range of applications, including atmospheric re-entry vehicles, vacuum technology, and microscale devices. Rarefied flows at the microscale can be effectively modeled using the ellipsoidal statistical Bhatnagar–Gross–Krook (ESBGK) form of the Boltzmann kinetic equation. Numerical solutions of these equations are often based on the finite volume method (FVM) in physical space and the discrete ordinates method in velocity space. However, existing solvers use a sequential solution procedure wherein the velocity distribution functions are implicitly coupled in physical space, but are solved sequentially in velocity space. This leads to explicit coupling of the distribution function values in velocity space and slows down convergence in systems with low Knudsen numbers. Furthermore, this also makes it difficult to solve multiscale problems or problems in which there is a large range of Knudsen numbers. In this paper, we extend the coupled ordinates method (COMET), previously developed to study participating radiative heat transfer, to solve the ESBGK equations. In this method, at each cell in the physical domain, distribution function values for all velocity ordinates are solved simultaneously. This coupled solution is used as a relaxation sweep in a geometric multigrid method in the spatial domain. Enhancements to COMET to account for the non-linearity of the ESBGK equations, as well as the coupled implementation of boundary conditions, are presented. The methodology works well with arbitrary convex polyhedral meshes, and is shown to give significantly faster solutions than the conventional sequential solution procedure. Acceleration factors of 5–9 are obtained for low to moderate Knudsen numbers on single processor platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Machine Learning Accelerated First-Principles Study of the Hydrodeoxygenation of Propanoic Acid

The complex reaction network of catalytic biomass conversions often involves hundreds of surface intermediates and thousands of reaction steps, greatly hindering the rational design of metal catalysts for these conversions. Here, we present a framework of machine learning (ML)-accelerated first-principles studies for the hydrodeoxygenation (HDO) of propanoic acid over transition metal surfaces. The microkinetic model (MKM) is initially parametrized by ML-predicted energies and iteratively improved by identifying the rate-determining species and steps (RDS), computing their energies by density functional theory (DFT), and reparameterizing the MKM until all the RDS are computed by DFT. The Gaussian process (GP) model performs significantly better than the linear ridge regression model for predicting both the adsorption free energies and transition state free energies. Parameterized with energies from the GP model, only 5–20% of the full reaction network has to be computed by DFT for the MKM to possess DFT-level accuracy for the TOF and dominant reaction pathway. While the linear ridge regression model performs worse than the GP model, its performance is greatly improved when only transition states are predicted by the regression model and adsorption energies are computed by DFT. Overall, we find that a high accuracy in adsorption free energies is more important for a reliable MKM than a high accuracy in TS free energies. Lastly, based on the GP model with GOH and GCHCHCO as catalyst descriptors, we build two-dimensional volcano plots in activity and selectivity that can help design promising alloy catalysts for HDO reactions of organic acids.

adsorption↗
DOE OSTI2018

Tracking Tumor Colonization in Xenograft Mouse Models Using Accelerator Mass Spectrometry [Tracking Tumor Colonization in vivo Using Accelerator Mass Spectrometry]

Here we propose an Accelerator Mass Spectrometry (AMS)-based high precision method for quantifying the number of cancer cells that initiate metastatic tumors, in xenograft mice. Quantification of 14 C per cell prior to injection into animals, and quantification of 14 C in whole organs allows us to extrapolate the number of cancer cells available to initiate metastatic tumors. The 14 C labeling was optimized such that 1 cancer cell was detected among 1 million normal cells. We show that ~1–5% of human cancer cells injected into immunodeficient mice form subcutaneous tumors, and even fewer cells initiate metastatic tumors. Comparisons of metastatic site colonization between a highly metastatic (PC3) and a non-metastatic (LnCap) cell line showed that PC3 cells colonize target tissues in greater quantities at 2 weeks post-delivery, and by 12 weeks post-delivery no 14 C was detected in LnCap xenografts, suggesting that all metastatic cells were cleared. The 14 C-signal correlated with the presence and the severity of metastatic tumors. AMS measurements of 14 C-labeled cells provides a highly-sensitive, quantitative assay to experimentally evaluate metastasis and colonization of target tissues in xenograft mouse models. This method can potentially be used to evaluate tumor aggressiveness and assist in making informed decisions regarding treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Investigation of radiative bow-shocks in magnetically accelerated plasma flows

We present a study of the formation of bow shocks in radiatively cooled plasma flows. This work uses an inverse wire array to provide a quasi-uniform, large scale hydrodynamic flow accelerated by Lorentz forces to supersonic velocities. This flow impacts a stationary object placed in its path, forming a well-defined Mach cone. Interferogram data are used to determine a Mach number of ∼6, which may increase with radial position suggesting a strongly cooling flow. Self-emission imaging shows the formation of a thin (<60 μm) strongly emitting shock region, where T{sub e} ∼ 40–50 eV, and rapid cooling behind the shock. Emission is observed upstream of the shock position which appears consistent with a radiation driven phenomenon. Data are compared to 2-dimensional simulations using the Gorgon MHD code, which show good agreement with the experiments. The simulations are also used to investigate the effect of magnetic field in the target, demonstrating that the bow-shocks have a high plasma β, and the influence of B-field at the shock is small. This consistent with experimental measurement with micro bdot probes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Impact of Linearity and Write Noise of Analog Resistive Memory Devices in a Neural Algorithm Accelerator

Resistive memory (ReRAM) shows promise for use as an analog synapse element in energy-efficient neural network algorithm accelerators. A particularly important application is the training of neural networks, as this is the most computationally-intensive procedure in using a neural algorithm. However, training a network with analog ReRAM synapses can significantly reduce the accuracy at the algorithm level. In order to assess this degradation, analog properties of ReRAM devices were measured and hand-written digit recognition accuracy was modeled for the training using backpropagation. Bipolar filamentary devices utilizing three material systems were measured and compared: one oxygen vacancy system, Ta-TaO x , and two conducting metallization systems, Cu-SiO 2 , and Ag/chalcogenide. Analog properties and conductance ranges of the devices are optimized by measuring the response to varying voltage pulse characteristics. Key analog device properties which degrade the accuracy are update linearity and write noise. Write noise may improve as a function of device manufacturing maturity, but write nonlinearity appears relatively consistent among the different device material systems and is found to be the most significant factor affecting accuracy. As a result, this suggests that new materials and/or fundamentally different resistive switching mechanisms may be required to improve device linearity and achieve higher algorithm training accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Towards Achieving Performance Portability Using Directives for Accelerators

In this paper we explore the performance portability of directives provided by OpenMP 4 and OpenACC to program various types of node architectures with attached accelerators, both self-hosted multicore and offload multicore/GPU. Our goal is to examine how successful OpenACC and the newer offload features of OpenMP 4.5 are for moving codes between architectures, how much tuning might be required and what lessons we can learn from this experience. To do this, we use examples of algorithms with varying computational intensities for our evaluation, as both compute and data access efficiency are important considerations for overall application performance. We implement these kernels using various methods provided by newer OpenACC and OpenMP implementations, and we evaluate their performance on various platforms including both X86_64 with attached NVIDIA GPUs, self-hosted Intel Xeon Phi KNL, as well as an X86_64 host system with Intel Xeon Phi coprocessors. In this paper, we explain what factors affected the performance portability such as how to pick the right programming model, its programming style, its availability on different platforms, and how well compilers can optimize and target to multiple platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Cerium migration during PEM fuel cell accelerated stress testing

Cerium is a radical scavenger which improves polymer electrolyte membrane (PEM) fuel cell durability. During operation, however, cerium rapidly migrates in the PEM and into the catalyst layers (CLs). In this work, membrane electrode assemblies (MEAs) were subjected to accelerated stress tests (ASTs) under different humidity conditions. Cerium migration was characterized in the MEAs after ASTs using X-ray fluorescence. During fully humidified operation, water flux from cell inlet to outlet generated in-plane cerium gradients. Conversely, cerium profiles were flat during low humidity operation, where in-plane water flux was negligible, however, migration from the PEM into the CLs was enhanced. Humidity cycling resulted in both in-plane cerium gradients due to water flux during the hydration component of the cycle, and significant migration into the CLs. Fluoride and cerium emissions into effluent cell waters were measured during ASTs and correlated, which signifies that ionomer degradation products serve as possible counter-ions for cerium emissions. Fluoride emission rates were also correlated to final PEM cerium contents, which indicates that PEM degradation and cerium migration are coupled. Lastly, it is proposed that cerium migrates from the PEM due to humidification conditions and degradation, and is subsequently stabilized in the CLs by carbon catalyst supports.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1976

Accelerated test techniques for micro-circuits: Evaluation of high temperature (473 k - 573 K) accelerated life test techniques as effective microcircuit screening methods

The application of high temperature accelerated test techniques was shown to be an effective method of microcircuit defect screening. Comprehensive microcircuit evaluations and a series of high temperature (473 K to 573 K) life tests demonstrated that a freak or early failure population of surface contaminated devices could be completely screened in thirty two hours of test at an ambient temperature of 523 K. Equivalent screening at 398 K, as prescribed by current Military and NASA specifications, would have required in excess of 1,500 hours of test. All testing was accomplished with a Texas Instruments' 54L10, low power triple-3 input NAND gate manufactured with a titanium- tungsten (Ti-W), Gold (Au) metallization system. A number of design and/or manufacturing anomalies were also noted with the Ti-W, Au metallization system. Further study of the exact nature and cause(s) of these anomalies is recommended prior to the use of microcircuits with Ti-W, Au metallization in long life/high reliability applications. Photomicrographs of tested circuits are included.

Johnson, G. M.↗
NASA NTRS1975

Angular velocities, angular accelerations, and coriolis accelerations

Weightlessness, rotating environment, and mathematical analysis of Coriolis acceleration is described for man's biological effective force environments. Effects on the vestibular system are summarized, including the end organs, functional neurology, and input-output relations. Ground-based studies in preparation for space missions are examined, including functional tests, provocative tests, adaptive capacity tests, simulation studies, and antimotion sickness.

Ashton Graybiel↗
NASA NTRS1980

POLAR 5 - An electron accelerator experiment within an aurora. III - Evidence for significant spacecraft charging by an electron accelerator at ionospheric altitudes

The POLAR 5 rocket experiment carried an electron accelerator on a 'daughter' payload which injected a 0.1 A beam of 10 keV electrons in a pulsed mode every 410 ms. With spin and precession, injections were made over a wide range of pitch angles. Measurements from a double probe electric field instrument and from particle detectors on the 'mother' payload and from a crude RPA on the 'daughter' payload are interpreted to indicate that the 'daughter' charges to a potential between several hundred volts and 1 kV. The neutralizing return current to the 'daughter' is shown to be asymmetrically distributed with the majority being collected from the direction of the beam. The additional electrons necessary to neutralize the daughter are thought to be produced and heated through beam-plasma interactions postulated by Maehlum et al. (1980) and Grandal et al. (1980) to explain the particle and optical measurements. Significant electric fields emanating from the charged 'daughter' and the beam are seen at distances exceeding 100 m at the 'mother' payload.

Jacobsen, T. A.↗
NASA NTRS1992

Electron acceleration in Tycho's and Kepler's supernova remnants - Spectral evidence of Fermi shock acceleration

First model synchrotron spectra calculated with a self-consistent nonlinear shock model of first order Fermi acceleration are presented and compared with the observed radio spectra of Tycho's and Kepler's SNR. Excellent agreement is obtained, and the correct mean spectral indices of about -0.64 are easily reproduced. The model spectra are slightly concave, with hardening toward higher energies, and there is evidence for such an effect in the data, allowing the mean magnetic field strength to be estimated in each remnant. Improvements in both theory and observation could allow accurate values of magnetic fields to be inferred from sufficiently precise integrated synchrotron spectra.

Reynolds, Stephen P.↗
NASA NTRS1997

Acceleration Tolerance: Effect of Exercise, Acceleration Training; Bed Rest and Weightlessness Deconditioning. A Compendium of Research (1950-1996)

This compendium includes abstracts and annotations of clinical observations and of more basic studies involving physiological mechanisms concerning interaction of acceleration, training and deconditioning. If the author's abstract or summary was appropriate, it was included. In other cases a more detailed annotation of the paper was prepared under the subheadings Purpose, Methods, Results, and Conclusions. Author and keyword indices are provided, plus an additional selected bibliography of related work and of those papers received after the volume was prepared for publication. This volume includes material published from 1950-1996.

Chou, J. L.↗