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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

The role of AlGaN buffers and channel thickness in the electronic transport properties of Al{sub x}In{sub 1–x}N/AlN/GaN heterostructures

We try to theoretically analyze the reported experimental data of the Al{sub x}In{sub 1–x}N/AlN/GaN heterostructures grown by MOCVD and quantitatively investigate the effects of AlGaN buffers and the GaNchannel thickness on the electrical transport properties of these systems. Also, we obtain the most important effective parameters of the temperature-dependent mobility in the range 35–300 K. Our results show that inserting a 1.1 μm thick Al{sub 0.04}Ga{sub 0.96}N buffer enhances electron mobility by decreasing the effect of phonons, the interface roughness, and dislocation and crystal defect scattering mechanisms. Also, as the channel thickness increases from 20 nm to 40 nm, the electron mobility increases from 2200 to 2540 cm{sup 2}/(V s) and from 870 to 1000 cm{sup 2}/(V s) at 35 and 300 K respectively, which is attributed to the reduction in the dislocation density and the strain-induced field. Finally, the reported experimental data show that inserting a 450 nm graded AlGaN layer before an Al{sub 0.04}Ga{sub 0.96}N buffer causes a decrease in the electron mobility, which is attributed to the enhancement of the lateral size of roughness, the dislocation density, and the strain-induced field in this sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The effect of zero Langmuir oscillations of an electromagnetic field on the transverse dielectric permittivity of a degenerate electron–ion plasma

It is shown theoretically that the electromagnetic background of longitudinal zero oscillations of a temperature-degenerate electron–ion plasma in a thermodynamic equilibrium state resonantly distorts the wave functions of its electrons. This gives rise to a characteristic quantum frequency that nonanalytically depends on Planck’s constant ℏ. Vacuum phenomena in plasma attributed to zero oscillations turn out to be anomalously large. Quantum corrections to the transverse dielectric permittivity of a degenerate electron–ion plasma, which are nonanalytic with respect to ℏ and are attributed to the zero-point oscillations of the plasma, are determined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Bimodality in Arrays of In{sub 0.4}Ga{sub 0.6}As Hybrid Quantum-Confined Heterostructures Grown on GaAs Substrates

Hybrid quantum-confined heterostructures grown by metal-organic vapor-phase epitaxy (MOVPE) via the deposition of In{sub 0.4}Ga{sub 0.6}As layers with various nominal thicknesses onto vicinal GaAs substrates are studied by photoluminescence spectroscopy and transmission electron microscopy. The photoluminescence spectra of these structures show the superposition of two spectral lines, which is indicative of the bimodal distribution of the size and/or shape of light-emitting objects in an array. The dominant spectral line is attributed to the luminescence of hybrid “quantum well–dot” nanostructures in the form of a dense array of relatively small quantum dots (QDs) with weak electron and hole localization. The second, lower intensity line is attributed to luminescence from a less dense array of comparatively larger QDs. Analysis of the behavior of the spectral line intensities at various temperatures showed that the density of larger QDs grows with increasing thickness of the InGaAs layer.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Plasmon Resonance Induced Photoconductivity in the Yttria Stabilized Zirconia Films with Embedded Au Nanoclusters

We report on the investigation of the photoconductivity (PC) in the yttria stabilized zirconia (YSZ) films with embedded Au nanoclusters (NCs). A peak in the PC spectrum corresponding to the plasmon optical absorption resonance in the Au NCs was observed. The temperature dependence of PC near 300 K obeyed Mott law. In this case, the PC was attributed to the heating of the YSZ matrix due to the plasmon optical absorption in the Au NCs (bolometric effect). Near 77 K, the PC did not depend on temperature and was attributed to plasmon-assisted electron transport between the NCs via the vacancy α-band in YSZ.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of thermochemical treatments on laser-induced luminescence spectra from strontium titanate: comparison with swift ion-beam irradiation experiments

Results recently reported on the effect of thermochemical treatments on the (He-Cd) laser-excited emission spectra of strontium titanate (STO) are re-analyzed here and compared with results obtained under ion-beam irradiation. Contributing bands centered at 2.4 eV and 2.8 eV, which appear under laser excitation, present intensities dependent upon previous thermal treatments in oxidizing (O 2 ) or reducing atmosphere (H 2 ). As a key result, the emission band centered at 2.8 eV is clearly enhanced in samples exposed to a reducing atmosphere. From a comparison with the ionoluminescence data, it is concluded that the laser-excited experiments can be rationalized within a framework developed from ion-beam excitation studies. In particular, the band at 2.8 eV, sometimes attributed to oxygen vacancies, behaves as expected for optical transitions from conduction-band (CB) states to the ground state level of the self-trapped exciton center. The band at 2.0 eV reported in ion-beam irradiated STO, and attributed to oxygen vacancies, is not observed in laser-excited crystals. As a consequence of our analysis, a consistent scheme of electronic energy levels and optical transitions can now be reliably offered for strontium titanate.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

IRNet: A General Purpose Deep Risidual Regression Framework for Materials Discovery

Materials discovery is crucial for making scientific advances in many domains. Collections of data from experiments and first-principle computations have spurred interest in applying machine learning methods to create predictive models capable of mapping from composition and crystal structures to materials properties. Generally, these are regression problems with the input being a 1D vector composed of numerical attributes representing the material composition and/or crystal structure. While neural networks consisting of fully connected layers have been applied to such problems, their performance often suffers from the vanishing gradient problem when network depth is increased. Hence, predictive modeling for such tasks has been mainly limited to traditional machine learning techniques such as Random Forest. In this paper, we study and propose design principles for building deep regression networks composed of fully connected layers with numerical vectors as input. We introduce a novel deep regression network with individual residual learning, IRNet, that places shortcut connections after each layer so that each layer learns the residual mapping between its output and input. We use the problem of learning properties of inorganic materials from numerical attributes derived from material composition and/or crystal structure to compare IRNet’s performance against that of other machine learning techniques. Using multiple datasets from the Open Quantum Materials Database (OQMD) and Materials Project for training and evaluation, we show that IRNet provides significantly better prediction performance than the state-of-the-art machine learning approaches currently used by domain scientists. We also show that IRNet’s use of individual residual learning leads to better convergence during the training phase than when shortcut connections are between multi-layer stacks while maintaining the same number of parameters.

deep learning↗
DOE OSTI2026

Wattchmen: Watching the Wattchers – High Fidelity, Flexible GPU Energy Modeling

Modern GPU-rich HPC systems are increasingly becoming energy-constrained. Thus, understanding an application’s energy consumption becomes essential. Unfortunately, current GPU energy attribution techniques are either inaccurate, inflexible, or outdated. Therefore, we propose Wattchmen, a flexible methodology for measuring, attributing, and predicting GPU energy consumption. We construct a per-instruction energy model using a diverse set of microbenchmarks to systematically quantify the energy consumption of GPU instructions, enabling finer-grain prediction and energy consumption breakdowns for applications. Compared with the state-of-the-art systems like AccelWattch (32%) and Guser (25%), across 16 popular GPGPU, graph analytics, HPC, and ML workloads, Wattchmen reduces the mean absolute percent error (MAPE) to 14% on V100 GPUs. Furthermore, we show that Wattchmen provides similar MAPEs for water-cooled V100s (15%) and extends to later architectures, including air-cooled A100 (11%) and H100 (12%) GPUs. Finally, to further demonstrate Wattchmen ’s value, we apply it to applications such as Backprop and QMCPACK, where Wattchmen ’s insights enable energy reductions of up to 35%.

Tran, Brandon [University of Wisconsin, Madison] (↗
DOE OSTI2017

Synthesis and Characterization of Perfluorinated Anion Exchange Membranes

Anion exchange membranes (AEMs) are of high interest for a number of electrochemical device applications including fuel cells, electrolyzers, and flow batteries. Perfluorinated sulfonic acid polymers have been the standard polymer used in the much more established area of proton exchange membrane based devices due to specific advantageous attributes including chemical stability, high conductivity, high water mobility, and the ability to create high performance electrodes. These attributes would make for desirable AEMs, but synthesizing perfluorinated AEMs has been limited and has significant challenges. Here, we report our efforts to develop novel synthesis routes to sulfonamide-linked alkyl ammonium perfluorinated AEMs. We have demonstrated the ability to achieve both high levels of ion exchange and membrane conductivity. We have achieved improved durability by extending the length of the alkyl tether from 3 to 6 carbons, and we have demonstrated the ability to process these polymers into membranes, ionomer solutions/dispersions, and fuel cells with reasonable performance.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Understanding Li-Ion Cell Internal Short Circuit and Thermal Runaway through Small, Slow and In Situ Sensing Nail Penetration

Here we report a small, slow and in situ sensing (3S) nail penetration test method to understand Li-ion cell internal short circuit (ISC) and thermal runaway. The method not only keeps conventional nail penetration's advantage of simple implementation, but also enhances its relevance to field failures and enables detailed in situ diagnosis. It was applied to 3-Ah pouch cells and revealed insights that could not be captured by conventional methods. Most interestingly, multiple in situ temperature peaks were observed during a period of over 100 s before thermal runaway. These initial peaks exceeded safety limit but the temperature rapidly decreased after each peak instead of causing immediate thermal runaway. Further investigation suggested that the initial temperature peaks occurred when nail tip reached aluminum foil current collector to form a low resistance ISC between anode and aluminum foil. The rapid temperature decrease after each peak can be attributed to sudden drop of ISC current, which can be further attributed to rupture of aluminum foil and increase of contact resistance. The findings show that 3S nail penetration test can separate processes of ISC from thermal runaway and provide details of ISC at the level of individual electrode and current collector.

25 ENERGY STORAGE↗
DOE OSTI2015

Manipulating Water in High-Performance Hydroxide Exchange Membrane Fuel Cells through Asymmetric Humidification and Wetproofing

Hydroxide exchange membrane fuel cells (HEMFCs) are an emerging low-cost alternative to conventional proton exchange membrane fuel cells. In addition to producing water at the anode, HEMFCs consume water at the cathode, leading to distinctive water transport behavior. We report that gas diffusion layer (GDL) wetproofing strictly lowers cell performance, but that the penalty is much higher when the anode side is wetproofed compared to the cathode side. We attribute this penalty primarily to mass transport losses from anode flooding, suggesting that cathode humidification may be more beneficial than anode humidification for this device. GDLs with little or no wetproofing perform best, yielding a competitive peak power density of 737 mW cm(-2). (C) The Author(s) 2015. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, hup://creativecommons.orgilicenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.

Kaspar, RB↗
DOE OSTI2015

Capacity Fading Mechanisms of Silicon Nanoparticle Negative Electrodes for Lithium Ion Batteries

A thorough analysis of the evolution of the voltage profiles of silicon nanoparticle electrodes upon cycling has been conducted. The largest changes to the voltage profiles occur at the earlier stages (> 0.16 V vs Li/Li + ) of lithiation of the silicon nanoparticles. The changes in the voltage profiles suggest that the predominant failure mechanism of the silicon electrode is related to incomplete delithiation of the silicon electrode during cycling. The incomplete delithiation is attributed to resistance increases during delithiation, which are predominantly contact and solid electrolyte interface (SEI) resistance. The capacity retention can be significantly improved by lowering delithiation cutoff voltage or by introducing electrolyte additives, which generate a superior SEI. The improved capacity retention is attributed to the reduction of the contact and SEI resistance.

25 ENERGY STORAGE↗
DOE OSTI2015

Direct Observation of Sulfur Radicals as Reaction Media in Lithium Sulfur Batteries

Lithium sulfur (Li-S) battery has been regaining tremendous interest in recent years because of its attractive attributes such as high gravimetric energy, low cost and environmental benignity. However, it is still not conclusively known how polysulfide ring/chain participates in the whole cycling and whether the discharge and charge processes follow the same pathway. Herein, we demonstrate the direct observation of sulfur radicals by using in situ electron paramagnetic resonance (EPR) technique. Based on the concentration changes of sulfur radicals at different potentials and the electrochemical characteristics of the cell, it is revealed that the chemical and electrochemical reactions in Li-S cell are driving each other to proceed through sulfur radicals, leading to two completely different reaction pathways during discharge and charge. The proposed radical mechanism may provide new perspectives to investigate the interactions between sulfur species and the electrolyte, inspiring novel strategies to develop Li-S battery technology.

25 ENERGY STORAGE↗
DOE OSTI2014

Dynamic mechanical analysis of phase transformations and anelastic relaxation in stabilized Zirconias

Elastic properties of polycrystalline stabilized zirconias, namely Yttria Stabilized Zirconia (YSZ) and Scandia, Ceria Stabilized Zirconia (SCSZ), were studied by Dynamic Mechanical Analyzer (DMA) in air. Changes of storage modulus E', loss modulus E" and mechanical damping (tanδ) with temperature were simultaneously monitored at various frequencies. In 8 mol% (8YSZ) and 10 mol% (10YSZ) Yttria Stabilized Zirconia, a drop in storage modulus of ~37% was observed in the 30°C to 400°C temperature range, together with two frequency dependent damping peaks. While the first tanδ peak can be attributed to the anelastic relaxation of (Y'ZrVO••)• elastic (and dielectric) dipoles, the second one is probably the result of local ordering of oxygen vacancies and/or relaxation of (2Y'ZrVO••)x dipoles. For cubic SCSZ, four damping peaks were observed in the similar temperature regime accompanied by significant nonlinear drop of the storage modulus. The first tanδ is attributed to anealstic relaxation of (Sc'ZrVO••)•. Furthermore, it was also found that stress induced phase transformation from cubic to rhombohedral structure is the reason for the frequency dependent third peak in the tanδ spectra while the fourth frequency independent peak was found to be the result of the phase transformation from rhombohedral to cubic structure.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Are GRACE-era Terrestrial Water Trends Driven by Anthropogenic Climate Change?

To provide context for observed trends in terrestrial water storage (TWS) during GRACE (2003–2014), trends and variability in the CESM1-CAM5 Large Ensemble (LE) are examined. Motivated in part by the anomalous nature of climate variability during GRACE, the characteristics of both forced change and internal modes are quantified and their influences on observations are estimated. Trends during the GRACE era in the LE are dominated by internal variability rather than by the forced response, with TWS anomalies in much of the Americas, eastern Australia, Africa, and southwestern Eurasia largely attributable to the negative phases of the Pacific Decadal Oscillation (PDO) and Atlantic Multidecadal Oscillation (AMO). While similarities between observed trends and the model-inferred forced response also exist, it is inappropriate to attribute such trends mainly to anthropogenic forcing. For several key river basins, trends in the mean state and interannual variability and the time at which the forced response exceeds background variability are also estimated while aspects of global mean TWS, including changes in its annual amplitude and decadal trends, are quantified. The findings highlight the challenge of detecting anthropogenic climate change in temporally finite satellite datasets and underscore the benefit of utilizing models in the interpretation of the observed record.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A Right Transfer Access Control Model of Internet of Things Based on Smart Contract

Sensor nodes play a crucial role in the promotion of development of Internet of Things (IoT). Through this transaction, RO defines access control policies in script form based on ABAC's access control model to grant access right. The identity of all users in the model is identified by address. This paper builds a more flexible right transfer access control model by means of combining the Attribute-Based Access Control model (ABAC) and blockchain technology. Owing to the characteristics of ABAC’s attributes and right association, the massive problems of some sensor nodes can be solved. At the same time, for the sake of addressing the dynamic problems such as node access and right transfer, right transfer contract (TS) and access control contract (CS) are employed on the chain to ensure efficient and safe transmission of rights. To solve on-chain storage problems and ensure transparency of the operation, the idea of Rollup in Ethereum expansion is used to upload the final state of protocol policy and right exchange to the chain. Any user can know the policy and current right transfer status at any time. Finally, comparative and security analysis show that the model presented here can solve IoT devices’ massive and dynamic problems more effectively and it is more secure than the traditional models.

Wang, Jiuru↗
DOE OSTI2019

Nonlinear saturation and oscillations of collisionless zonal flows

In homogeneous drift-wave (DW) turbulence, zonal flows (ZFs) can be generated via a modulational instability (MI) that either saturates monotonically or leads to oscillations of the ZF energy at the nonlinear stage. This dynamics is often attributed as the predator-prey oscillations induced by ZF collisional damping; however, similar dynamics is also observed in collisionless ZFs, in which case a different mechanism must be involved. Here, we propose a semi-analytic theory that explains the transition between the oscillations and saturation of collisionless ZFs within the quasilinear Hasegawa-Mima model. By analyzing phase-space trajectories of DW quanta (driftons) within the geometrical-optics (GO) approximation, we argue that the parameter that controls this transition is N ~ \gamma_MI/\omega_DW, where \gamma_MI is the MI growth rate and \omega_DW is the linear DW frequency. We argue that at N << 1, ZFs oscillate due to the presence of so-called passing drifton trajectories, and we derive an approximate formula for the ZF amplitude as a function of time in this regime. We also show that at N >~ 1, the passing trajectories vanish and ZFs saturate monotonically, which can be attributed to phase mixing of higher-order sidebands. A modification of N that accounts for effects beyond the GO limit is also proposed. These analytic results are tested against both quasilinear and fully-nonlinear simulations. They also explain the earlier numerical results by Connaughton et al. [J. Fluid Mech. 654, 207 (2010)] and Gallagher et al. [Phys. Plasmas 19, 122115 (2012)] and offer a revised perspective on what the control parameter is that determines the transition from the oscillations to saturation of collisionless ZFs.

collisionless zonal flows, modulational instabilit↗
DOE OSTI2022

Tomo2Mesh: Fast Reconstruction and Visualization of Tomography Data in Mesh Format

Tomo2Mesh is an open-source project targeted towards real-time reconstruction, segmentation, and visualization of computed tomography (CT) data in mesh format. The CT reconstruction scheme is based on filtered back-projection of voxel subsets. The segmentation scheme uses a 3D convolutional neural network. To allow for fast, real-time reconstruction, voxel subsets are first identified by coarse reconstruction. The detail in specific regions of interest is improved through full reconstruction of voxel subsets in that region. Data structures are implemented to store and process voxel subsets. Finally, voxel data is labeled using connected components to detect disconnected regions such as voids whose morphological attributes (e.g., Feret diameter, principal axis orientation, local number density, size, etc.) can be measured also in real-time. Finally, a fast marching cubes implementation processes labeled voxel data into a triangular face mesh (vertices and faces) in .ply format for visualization in Paraview or other mesh visualization tools. The code provides a simple programming interface for detecting, classifying, and visualizing regions of interest based on morphology. For example, detected voids can be classified as round pores or extended cracks. Highly porous neighborhoods can be identified based on local number density. The mesh texture (or color) is assigned based these morphological attributes to allow smart visualization scenarios in real-time (e.g., show only long cracks). At the time of first release (July 2022), extraction of face mesh for visualization for raw CT data from a 2 megapixel camera would take between 1-5 minutes for most scenarios.

TEKAWADE, ANIKET↗
DOE OSTI2019

Hurricane Harvey Flood

Online supplement to Attributable human-induced changes in the magnitude of flooding in the Houston, Texas region during Hurricane Harvey, by Michael Wehner and Christopher Sampson. Geospatial data to visualize the attributable flooding in the greater Houston during Hurricane Harvey as simulated by the Fathom hydraulical model in a geotiff file format is provided at https://portal.nersc.gov/cascade/Harvey/ . The public is encouraged to download this open access data and investigate their own neighborhoods of interest using free or commercial software. A detailed validation of the baseline simulated "flood that was" for every neighborhood is outside the scope of this article but individuals can compare the simulation to their own experiences. The public is then invited to compare the "flood that might have been" had there not been a human interference in the climate system to the simulated actual flood in these neighborhoods. The variety of scientific opinions as to the human effect on precipitation and their effect on the flood are presented as detailed in the table below. A pair of high risk scenarios of the effect of a future warmer climate and a hypothetical storm similar to Harvey is also provided.

54 ENVIRONMENTAL SCIENCES↗