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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Multi‐Scale Model‐Informed Deep Learning for Plasma‐Nanoparticle Interaction

The Overarching Goal of this proposed research is to understand and quantitively determine the interactions between non-thermal plasma (hot electrons, reactive radicals, vibrationally excited species) and surface reactions on influencing the activity and selectivity of the desired reactions via developing multi-scale model informed deep learning algorithm. Investigating non-thermal plasma-surface interaction is feasible due to the low bulk temperature in the discharge region. To investigate the role of plasma-nanoparticle interaction on enhancing the reaction kinetics, we will focus on ammonia cracking to generate clean hydrogen over earth-abundant, non-critical metallic nanoparticles, which is of great significance for decarbonization. We hypothesize that (1) reactive radicals interacting with surface reaction species via Eley–Rideal mechanism will significantly lower the energetics of the potential rate-limiting step of nitrogen formation; (2) the surface will be charged heterogeneously under non-thermal plasma conditions and the charged site will lower the energetics of ammonia cracking through Langmuir– Hinshelwood mechanism; (3) vibrationally excited ammonia will further promote the initial N-H bond cleavage. To access the hypothesis, we will (1) reveal the surface charge effects on tunning the reaction energetics via interpretable, physics-informed deep learning accelerated density functional theory (DFT) calculations; (2) determine the reactive radicals interacting with surface reaction species on tuning the reaction energetics via DFT; (3) reveal the surface charge effects on tunning the reaction energetics via DFT and deep learning models, (4) quantify how vibrationally excited species, reactive radicals, and surface charging effects on enhancing the catalysis via developing DFT-based microkinetic modeling (MKM) and active learning. Deep and active learning of plasma-nanoparticle interactions effects on enhancing ammonia cracking to generate hydrogen represents a new paradigm for designing high performance plasma materials. The fundamental science of how plasma-nanoparticle interactions will change the plasma kinetics and will improve the energy efficiency for decarbonization and sustainability. The interpretable and physics-informed machine learning model will accelerate low temperature plasma chemistry and material discovery with physics rules and model interpretation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Impact of electron transport models on capillary discharge plasmas

Magnetohydrodynamics (MHD) can be used to model capillary discharge waveguides in laser-wakefield accelerators. However, the predictive capability of MHD can suffer due to poor microscopic closure models. Here, we study the impact of electron heating and thermal conduction on the capillary waveguide performance as part of an effort to understand and quantify uncertainties in modeling and designing next-generation plasma accelerators. To do so, we perform two-dimensional high-resolution MHD simulations using an argon-filled capillary discharge waveguide with three different electron transport coefficients models. The models tested include (i) Davies et al., (ii) Spitzer, and (iii) Epperlein–Haines (EH). We found that the EH model overestimates the electron temperature inside the channel by over 20% while predicting a lower azimuthal magnetic field. Furthermore, the Spitzer model, often used in MHD simulations for plasma-based accelerators, predicts a significantly higher electron temperature than the other models suggest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A perspective on the electro-thermal co-design of ultra-wide bandgap lateral devices

Fundamental research and development of ultra-wide bandgap (UWBG) semiconductor devices are under way to realize next-generation power conversion and wireless communication systems. Devices based on aluminum gallium nitride (AlxGa1-xN, x is the Al composition), ..beta..-phase gallium oxide (..beta..-Ga2O3), and diamond give promise to the development of power switching devices and radio frequency power amplifiers with higher performance and efficiency than commercial wide bandgap semiconductor devices based on gallium nitride (GaN) and silicon carbide (SiC). However, one of the most critical challenges for the successful deployment of UWBG device technologies is to overcome adverse thermal effects that impact the device performance and reliability. Overheating of UWBG devices originates from the projected high power density operation and poor intrinsic thermal properties of AlxGa1-xN and ..beta..-Ga2O3. This Perspective delineates the need and process for the "electro-thermal co-design" of laterally configured UWBG electronic devices and provides a comprehensive review of current state-of-the-art thermal characterization methods, device thermal modeling practices, and both device- and package-level thermal management solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Structural Distortions and Uniaxial Negative Thermal Expansion in the Polar Dion–Jacobson Oxide RbNdTa 2 O 7

We provide deeper insight into the crystal structures, sequential structural phase transitions (I2cm → Cmce → I4/mcm → P4/mmm), thermal expansion, and electronic properties of the n = 2 Dion–Jacobson polar oxide RbNdTa 2 O 7 , through X-ray powder diffraction, neutron powder diffraction, Raman studies, and density functional theory calculations. We observed a uniaxial negative thermal expansion (NTE) across the first-order transition, I2cm → Cmce, where the unit cell contracts along the c-axis, which is driven by a contraction of the NdTa 2 O 6 layer. Here, this NTE occurs within the temperature range of the first-order phase transition and contrasts with the corkscrew mechanism typically observed in Ruddlesden–Popper phases. In RbNdTa 2 O 7 , the I2cm (hybrid improper ferroelectric) → Cmce (antipolar) transition involves crucial changes in the bond lengths of Nd and Ta polyhedra, coupled with polar to antipolar displacement of the Nd ions, leading to a net contraction in the NdTa 2 O 6 layer along the c-axis, while preserving the overall octahedral tilting magnitude. This transition highlights the intricate interplay between the Nd and Ta coordination and the associated TaO 6 distortions. Temperature-dependent Raman spectra analysis further confirms the first-order structural transition and associated NTE, providing evidence for increased bond stiffness across this transition. Additionally, using neutron powder diffraction, we have determined that the transition I4/mcm → P4/mmm occurs at approximately 1150 K. Finally, we have calculated from DFT + U, the partial density of states, the energy bandgaps, and effective masses of the charge carriers of the polar ground structure.

Chemical structure↗
DOE OSTI2025

Giant quantum oscillations in thermal transport in low-density metals via electron absorption of phonons

Oscillations of conductance observed in strong magnetic fields are a striking manifestation of the quantum dynamics of charge carriers in solids. The large charge carrier density in typical metals sets the scale of oscillations in both electrical and thermal conductivity, which characterize the Fermi surface. In semimetals, thermal transport at low-charge carrier density is expected to be phonon dominated, yet several experiments observe giant quantum oscillations in thermal transport. This raises the question of whether there is an overarching mechanism leading to sizable oscillations that survives in phonon-dominated semimetals. In this work, we show that such a mechanism exists. It relies on the peculiar phase-space allowed for phonon scattering by electrons when only a few Landau levels are filled. Our measurements on the Dirac semimetal ZrTe 5 support this counterintuitive mechanism through observation of pronounced thermal quantum oscillations, since they occur in similar magnitude and phase in directions parallel and transverse to the magnetic field. Our phase-space argument applies to all low-density semimetals, topological or not, including graphene and bismuth. Our work illustrates that phonon absorption can be leveraged to reveal degrees of freedom through their imprint on longitudinal thermal transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2004

Energetics of Three Solar Flares Observed by RHESSI

We compare the energy content of the thermal plasma and suprathermal electrons in three solar flares observed by the Ramaty High Energy Solar Spectroscopic Imager (RHESSI). Fits of computed isothermal and thick-target bremsstrahlung spectra to RHESSI X-ray spectra are used to deduce the instantaneous energy content of the X-ray-emitting plasma and the accumulated energy in suprathermal electrons throughout the three flares. We minimize the energy in the suprathermal electrons by assuming that the electron distributions have a low-energy cutoff that is no lower than the highest cutoff energy that provides a good fit to the X-ray spectra. The energetics of the 2002 April 15 M1 flare and the 2002 April 21 X2 flare are computed and compared with results for the 2002 July 23 X5 flare. We find that for all three. flares the energy in nonthermal electrons is comparable to the energy contained in the thermal plasma.

Holman, G. D.↗
NASA NTRS2006

Thermal Conductivity of Polyimide/Nanofiller Blends

In efforts to improve the thermal conductivity of Ultem(TM) 1000, it was compounded with three carbon based nano-fillers. Multiwalled carbon nanotubes (MWCNT), vapor grown carbon nanofibers (CNF) and expanded graphite (EG) were investigated. Ribbons were extruded to form samples in which the nano-fillers were aligned. Samples were also fabricated by compression molding in which the nano-fillers were randomly oriented. The thermal properties were evaluated by DSC and TGA, and the mechanical properties of the aligned samples were determined by tensile testing. The degree of dispersion and alignment of the nanoparticles were investigated with high-resolution scanning electron microscopy. The thermal conductivity of the samples was measured in both the direction of alignment as well as perpendicular to that direction using the Nanoflash technique. The results of this study will be presented.

Ghose, S.↗
NASA NTRS2007

Thermal Conductivity of Polyimide/Carbon Nanofiller Blends

In efforts to improve the thermal conductivity (TC) of Ultem(TM) 1000, it was compounded with three carbon based nano-fillers. Multiwalled carbon nanotubes (MWCNT), vapor grown carbon nanofibers (CNF) and expanded graphite (EG) were investigated. Ribbons were extruded to form samples in which the nano-fillers were aligned. Samples were also fabricated by compression molding in which the nano-fillers were randomly oriented. The thermal properties were evaluated by DSC and TGA, and the mechanical properties of the aligned samples were determined by tensile testing. The degree of dispersion and alignment of the nanoparticles were investigated with high-resolution scanning electron microscopy. The thermal conductivity of the samples was measured in both the direction of alignment as well as perpendicular to that direction using the Nanoflash technique. The results of this study will be presented.

Ghose, S.↗
DOE OSTI2026

Energy Partition in Collisionless Counterstreaming Plasmas

Fast, counterstreaming plasma outflows drive magnetic field amplification, plasma heating, and particle acceleration in numerous astrophysical environments, from supernova remnant shocks to active galactic nuclei jets. Understanding how, in the absence of Coulomb collisions, energy is redistributed between the different plasma species remains a fundamental open question. We use three-dimensional, fully kinetic simulations to investigate energy partition in weakly magnetized counterpropagating plasmas. Our results reveal a complex interplay between different processes, where at early times the Weibel instability drives a first stage of magnetic field amplification and at late times the kinking of current filaments drives a second amplification stage via a dynamo-type mechanism. Electrons are heated primarily during the latter phase through magnetic pumping. By the time the flows thermalize, we observe that the final temperature ratio T e /T i and energy partition depend on the ion-to-electron mass ratio. For electron–proton flows, the electron thermal energy only reaches up to a few percent of the initial ion kinetic energy.

Marret, Alexis [SLAC National Accelerator Laborato↗
DOE OSTI2020

Different Kinetic Reactivities of Electrons in Distinct TiO 2 Nanoparticle Trap States

Electrons added to TiO 2 and other semiconductors often occupy trap states, whose reactivity can determine the catalytic and stoichiometric chemistry of the material. We previously showed that reduced aqueous colloidal TiO 2 nanoparticles have two distinct classes of thermally equilibrated trapped electrons, termed Red/e – and Blue/e – . Presented here are parallel optical and electron paramagnetic resonance (EPR) kinetic studies of the reactivity of these electrons with solution-based oxidants. Optical stopped-flow measurements monitoring the reactions of TiO 2 /e – with substoichiometric oxidants showed a surprising pattern: an initial fast (seconds) decrease in TiO 2 /e – absorbance followed by a secondary, slow (minutes) increase in the broad TiO 2 /e – optical feature. The analysis revealed that the fast decrease is due to the preferential oxidation of the Red/e – trap states and the slow increase results from the re-equilibration of electrons from Blue/e - to Red/e - states. This kinetic model was confirmed by freeze-quench EPR measurements. Quantitative analysis of the kinetic data demonstrated that Red/e – react ~5 times faster than Blue/e – with the nitroxyl radical oxidant 4-methoxy-2,2,6,6-tetramethyl-1-piperidinyloxyl (4-MeO-TEMPO). Similar reactivity patterns were also observed in oxidations of TiO 2 /e – by O 2 , which like 4-MeO-TEMPO is a proton-coupled electron transfer (PCET) oxidant, and by the pure electron transfer (ET) oxidant potassium triiodide (KI 3 ). Furthermore, this suggests that the faster intrinsic reactivity of one trap state over another on the seconds–minutes time scale is likely a general feature of reduced TiO 2 reactivity. This differential trap-state reactivity is likely to influence the performance of TiO 2 in photochemical/electrochemical devices, and it suggests an opportunity for tuning catalysis.

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

Thermoelectric coolers for high-power-density 3D electronics heat management

Future advancements in three-dimensional (3D) electronics require robust thermal management methodology. Thermoelectric coolers (TECs) are reliable and solid-state heat pumping devices with high cooling capacity that can meet the requirements of emerging 3D microelectronic devices. In this work, we first provide the design of TECs for electronics cooling using a computational model and then experimentally validate the main predictions. Key device parameters such as device thickness, leg density, and contact resistance were studied to understand their influence on the performance of TECs. Our results show that it is possible to achieve high cooling power density through optimization of TE leg height and packing density. Scaling of TECs is shown to provide ultra-high cooling power density.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1995

Thermal Characterization of the Universal Multizone Crystallizator

The Universal Multizone Crystallizator (UMC) is a special apparatus for crystal growth under terrestrial and microgravity conditions. The use of twenty-five zones allows the, UMC to be used for several normal freezing growth techniques. The thermal profile is electronically translated along the stationary sample by systematically reducing the power to the control zones. Elimination of mechanical translation devices increases the systems reliability while simultaneously reducing the size and weight. This paper addresses the UMC furnace design, sample cartridge, typical thermal profiles and corresponding power requirements necessary for two normal freezing techniques: dynamic gradient freeze and zone melting crystal growth.

Watring, D. A.↗
NASA NTRS1990

Thermal Analysis

Packaging engineers can avoid unnecessary and costly redesign of product through use of tools such as the SINDA '85/FLUINT software system for predicting thermal performance of electronic aviation equipment. SINDA '85/FLUINT is an acronym for Systems Improved Numerical Differencing Analyzer and Fluid Integrators. It is a program for solving the physical problems governed by flow and diffusion type equations and is most widely used as a general thermal analyzer.

Source record↗
NASA NTRS1996

The Universal Multizone Crystallizator (UMC) Furnace: An International Cooperative Agreement

The Universal Multizone Crystallizator (UMC) is a special apparatus for crystal growth under terrestrial and microgravity conditions. The use of twenty-five zones allows the UMC to be used for several normal freezing growth techniques. The thermal profile is electronically translated along the stationary sample by systematically reducing the power to the control zones. Elimination of mechanical translation devices increases the systems reliability while simultaneously reducing the size and weight. This paper addresses the UMC furnace design, sample cartridge and typical thermal profiles and corresponding power requirements necessary for the dynamic gradient freeze crystal growth technique. Results from physical vapor transport and traveling heater method crystal growth experiments are also discussed.

Watring, D. A.↗