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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Satellite Gravity Drilling the Earth

Analysis of satellite-measured gravity and topography can provide crust-to-core mass variation models for new insi@t on the geologic evolution of the Earth. The internal structure of the Earth is mostly constrained by seismic observations and geochemical considerations. We suggest that these constraints may be augmented by gravity drilling that interprets satellite altitude free-air gravity observations for boundary undulations of the internal density layers related to mass flow. The approach involves separating the free-air anomalies into terrain-correlated and -decorrelated components based on the correlation spectrum between the anomalies and the gravity effects of the terrain. The terrain-decorrelated gravity anomalies are largely devoid of the long wavelength interfering effects of the terrain gravity and thus provide enhanced constraints for modeling mass variations of the mantle and core. For the Earth, subcrustal interpretations of the terrain-decorrelated anomalies are constrained by radially stratified densities inferred from seismic observations. These anomalies, with frequencies that clearly decrease as the density contrasts deepen, facilitate mapping mass flow patterns related to the thermodynamic state and evolution of the Earth's interior.

vonFrese, R. R. B.↗
DOE OSTI2025

Determining the Ensemble N -Representability of Reduced Density Matrices

The N-representability problem for reduced density matrices remains a fundamental challenge in electronic structure theory. Following our previous work that employs a unitary-evolution algorithm based on an adaptive derivative-assembled pseudo-Trotter variational quantum algorithm to probe pure-state N-representability of reduced density matrices [J. Chem. Theory Comput. 2024, 20, 9968], in this work we propose a practical framework for determining the ensemble N-representability of a p-body matrix. This is accomplished using a purification strategy that embeds an ensemble state into a pure state defined on an extended Hilbert space, such that the reduced density matrices of the purified state reproduce those of the original ensemble. By iteratively applying variational unitaries to an initial purified state, the proposed algorithm minimizes the Hilbert-Schmidt distance between its p-body reduced density matrix and a specified target p-body matrix, which serves as a measure of the N-representability of the target. This methodology facilitates both error correction of defective ensemble reduced density matrices and quantum-state reconstruction on a quantum computer, offering a route for density-matrix refinement. We validate the algorithm with numerical simulations on systems of two, three, and four electrons in both simple models as well as molecular systems at finite temperature, demonstrating its robustness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

The evolution of the spatial structure of thick-target hard X-ray emission in solar flares

The spatial distribution of hard X-ray bremsstrahlung emission from an electron-heated target is examined, using a self-consistent calculation of the hydrodynamic response of the atmosphere to heating by the electrons to compute the density-height structure of the target atmosphere at various times. In this way the temporal evolution of the hard X-ray spatial structure at various photon energies is predicted. These results are compared with existing observations from the SMM Hard X-Ray Imaging Spectrometer to give a prognosis for the type of structure to be expected at the subarcsec resolution planned for future instrumentation.

Emslie, A. G.↗
DOE OSTI2025

Investigation of magnetic fluctuations in L-H and H-L transition dynamics on DIII-D

The dynamics of the L-H transition is not fully understood, with many parameters changing the threshold power to enter H-mode and the self-regulation between zonal flows and turbulence in the plasma edge. This paper is primarily a presentation of experimental results for DIII-D L-H and H-L transitions and speculation on the observations made. Power threshold analysis and measurements of pedestal temperatures for these transitions are presented. A comparison is made between an L-H transition and H-L transition of comparable Psep exhibiting oscillatory behaviour, showing symmetry between forward and backward transition dynamics. This paper shows the first observations of magnetic fluctuations during L-H and H-L transitions on DIII-D, and shows that L-H and H-L transitions have similar magnetic fluctuation dynamics. Information geometry analysis has been performed on measurements of plasma density fluctuations, perpendicular plasma velocity fluctuations, and magnetic field fluctuations to investigate the self-regulation and evolution of these variables during the transitions. Perpendicular flow evolution is shown to dominate the transition dynamics in both directions, but self-regulation behaviour is observed between all three variables. A strong correlation between magnetic fluctuation information rate and density fluctuation information rate for these two shots shows the strong influence of magnetic behaviour on both the L-H and H-L transition, and that these transition dynamics necessarily include electromagnetic effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Combining ToF‐SIMS and Multivariate Analysis to Resolve Active Sites on Ni‐Based HER Catalysts

Unambiguous identification of active sites in heterogeneous catalysis remains a major challenge, particularly for materials with ultrathin, chemically mixed surface layers. Here, we demonstrate a generalizable approach that combines time-of-flight secondary ion mass spectrometry (ToF-SIMS) with multivariate statistical analysis (principal component analysis [PCA] and multivariate curve resolution [MCR]) to resolve catalytically relevant motifs at the nanoscale. Using Ni electrodes as a model system, PCA distinguished hydroxide-enriched domains from oxide- and metal-rich regions, while MCR decomposed depth profiles and 3D images into hydroxide, oxide, and metallic layers with nanometer resolution. A unique secondary-ion fragment, NiO 3 H 3 − (m/z 108.94), emerged as a marker of hydroxide-rich environments and correlated with hydrogen evolution reaction (HER) activity across a series of Ni electrodes. Complementary density functional theory (DFT) calculations revealed that Ni(OH) 2 clusters adjacent to metallic Ni offer the most favorable water dissociation energetics, establishing the structural origin of the marker. While illustrated here for Ni-based HER, this workflow provides a broadly applicable framework to isolate and rank near-surface patterns that govern catalytic activity, thereby extending ToF-SIMS from a qualitative probe to a predictive tool for active site identification.

HER active sites↗
DOE OSTI2025

Modulation of thermal conductivity of iron-doped ß-Ga2O3 by helium-ion irradiation

This study examines the impact of helium-ion irradiation on the thermal conductivity of ß-Ga2O3. A laser-based spatial domain thermoreflectance technique is used to investigate thermal conductivity map for both un-irradiated and irradiated ß-Ga2O3, which are then validated against simulation results derived from density functional theory-based phonon transport simulations. Since helium bubble evolution was ob- served at the nanoscale using transmission electron microscopy, the simulation study was carried out on eight distinct helium-induced sites in ß-Ga2O3. Our findings indicate a reduction in thermal conductivity for the irradiated samples. Experimental results show a significant reduction in thermal conductivity in irradiated samples, with de- creases of approximately 25% along the [100] direction and 40% along [001] directions. Phonon transport simulations closely replicate these findings, particularly when helium occupying interstitial sites, predicting reductions of ˜53% along [100] and ˜50% along [001] directions. This work underscores the role of irradiation-induced microstructural changes in the heat transport properties of ß-Ga2O3 which is crucial for its application in sensor devices in extreme environments.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

A phase-field fracture formulation for generalized standard materials: The interplay between thermomechanics and damage

Accurately modeling fracture of ductile materials poses open challenges in the field of computational mechanics due to the multiphysics nature of their failure processes. Integrating the interplay between thermodynamics and damage into ductile fracture models is vital for predicting critical failure modes. Here, in this paper, we develop a versatile phase-field (PF) framework for modeling ductile fracture, taking into account finite-strain elasto-plasticity. The framework stems from a variational formulation of constitutive relations for generalized standard materials (GSMs), whose response is described by a Helmholtz free energy and a dissipation pseudo-potential. Its variational structure is based on a minimum principle for a functional that expresses the sum of power densities for reversible and irreversible processes. By minimizing this functional with a constraint on a von Mises yield function, we derive the evolution equation for the equivalent plastic strain and an associative flow rule. This constrained optimization problem is analytically solved for a wide class of thermo-viscoplasticity models. The key innovations of the current work include (i) a cubic plastic degradation function that accounts for a non-vanishing damage-dependent yield stress, (ii) closed-form expressions of the Helmholtz free energy and dissipation pseudo-potential for three thermo-viscoplasticity models, (iii) an extended Johnson–Cook plasticity model with a nonlinear hardening law, and (iv) a plastic work heat source that depends on the plastic degradation function and a variable Taylor–Quinney (TQ) coefficient. The capabilities of the proposed framework are tested with the aid of four ductile fracture problems, including the Sandia Fracture Challenge. In each of these problems, we examine the evolution of relevant field variables such as the PF order parameter, the equivalent plastic strain, the temperature, and the internal power dissipation density, in addition to the overall structural response quantified by the force–displacement curve. These numerical studies demonstrate that the proposed framework effectively represents ductile fracture, yielding computational results that exhibit good agreement with experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Interplay of Quantum Size Effect and Tensile Strain on Surface Morphology of β-Sn(100) Islands

The quantum size effect (QSE) and strain effect are two key factors influencing the surface morphology of thin films, which can increase film surface roughness through QSE-induced thickness oscillation and strain-induced island formation, respectively. Surface roughness usually manifests in the early stages of film growth and diminishes beyond a critical thickness. In this work, we employ molecular beam epitaxy (MBE) to grow β-Sn(100) islands with varying thickness N on bilayer graphene-terminated 6H-SiC(0001) substrates. Scanning tunneling microscopy and spectroscopy measurements reveal an inverse surface roughness effect that highlights the interplay of QSE and misfit strain in shaping the surface morphology of β-Sn(100) islands. For N ≤ 10, the islands exhibit flat surfaces, while for N ≥ 26, the island surfaces become corrugated and patterned. For the intermediate range, i.e., 12 ≤ N ≤ 24, both flat and patterned surfaces coexist, with the percentage coverage of the patterned surface oscillating as a function of N. By performing density functional theory calculations, we demonstrate that the unusual surface pattern evolution in our MBE-grown β-Sn(100) islands is a result of the interplay between QSE-induced surface roughing and tensile strain-induced smoothening effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Operando Unveiling of Hydrogen Spillover Mechanisms on Tungsten Oxide Surfaces

Hydrogen spillover is an important process in catalytic hydrogenation reactions, facilitating H 2 activation and modulating surface chemistry of reducible oxide catalysts. This study focuses on the operando unveiling of platinum-induced hydrogen spillover on monoclinic tungsten trioxide (γ-WO 3 ), employing ambient pressure X-ray photoelectron spectroscopy, density functional theory calculations and microkinetic modeling to investigate the dynamic evolution of surface states at varied temperatures. At room temperature, hydrogen spillover results in the formation of W 5+ and hydrogen intermediates (hydroxyl species and adsorbed water), facilitated by Pt metal clusters. With increasing temperature, water desorption, reverse hydrogen spillover and surface-to-bulk diffusion of hydrogen atoms compete with each other, leading initially to reoxidation and then further reduction of W atoms in the near-surface. The combined experimental results and simulations provide a comprehensive understanding of the mechanisms underlying hydrogen interaction with reducible metal oxides, lending insights of relevance to the design of enhanced hydrogenation catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Lunar science - The Apollo legacy

The progress made in answering a list of fundamental lunar problems is considered, taking into account the nature of the differences in highlands and mare materials, the chemical composition of the moon, the density and internal structure of the moon, and the state of evolution of the moon. Attention is also given to a number of unanticipated results provided by lunar science. Findings concerning an ancient paleomagnetic field are discussed along with the characteristics of exotic components in the regolith, fundamental material differences observed in lunar surface layers, microcraters, and questions regarding an enhanced iron emission in solar flares.

Burnett, D. S.↗
NASA NTRS1977

Photoelectrolysis of water at high current density - Use of ultraviolet laser excitation

The behavior of TiO2 and SrTiO3 photoanodes in cells for the photoelectrolysis of H2O has been investigated for high-intensity 351-,364-nm excitation from an Ar ion laser. Intensities up to 380 W/sq cm have been used. For TiO2 a small amount of surface decomposition is found after irradiation at high intensity, whereas SrTiO3 undergoes no detectable changes. Current-voltage properties for both electrodes are essentially independent of light intensity up to the level of 380 W/sq cm, and there is little if any change in quantum efficiency for electron flow. Photocurrent densities have been shown to exceed 5 A/sq cm for O2 evolution. Data show that the energy storage rate associated with the SrTiO3 photoelectrolysis can exceed 30 W/sq cm; this represents the highest demonstrated rate of sustained optical-to-chemical energy conversion.

Bocarsly, A. B.↗
NASA NTRS1982

Far-infrared observations of the evolved H II region M16

The results of far infrared (FIR) observations of the larger H II region M16, associated with the young open star cluster NGC 6611, are discussed. Three FIR sources detected on an extended ridge of FIR emission within the scanned region are described. The observations confirm that M16 is an H II region in a late stage of evolution. The H II region has expanded and is now extremely density bounded, consisting of an extended region of ionized gas and a series of ionization fronts located at the surrounding molecular cloud boundaries nearest to the exciting OB star cluster. The FIR radiation arises from heated dust at these boundaries.

Mcbreen, B.↗
NASA NTRS1992

A three-dimensional hydrodynamic treatment of the hot dark matter cosmological scenario

The study computes the evolution of the hot dark matter (HDM) model containing both baryonic matter and dark matter for a post recombination Friedmann-Robertson-Walker universe. A locally valid Newtonian approximation is used to model a representative piece of the universe with size much less than the horizon. For the HDM model with the present chosen normalization, the hard X-ray (1-10 keV) radiation intensity is less than that in the observations (Wu et al., 1991) by a factor of 30. In agreement with other work, it is found that baryonic matter is slightly antibiased over dark matter on the cell scale, 0.5/h Mpc = 667 kpc. The HDM model with the present chosen parameters does not overproduce X-ray-luminous clusters, and there is a negative evolution in the late epochs in the sense that the number density of X-ray clusters was higher at 0.5 redshift than at 0 redshift at the brightest end.

Cen, Renyue↗
NASA NTRS2000

Transverse Mode Dynamics of VCSELs Undergoing Current Modulation

Transverse mode dynamics of a 20-micron-diameter vertical-cavity surface-emitting laser (VCSEL) undergoing gain switching by deep current modulation is studied numerically. The direct current (dc) level is set slightly below threshold and is modulated by a large alternating current (ac). The resulting optical pulse train and transverse-mode patterns are obtained numerically. The ac frequency is varied from 2.5 GHz to 10 GHz, and the ac amplitude is varied from one-half to four times that of the dc level. At high modulation frequencies, a regular pulse train is not generated unless the ac amplitude is large enough. At all modulation frequencies, the transverse spatial profile switches from single-mode to multiple-mode pattern as the ac pumping level is increased. Optical pulse widths vary in the range 5-30 ps. with the pulse width decreasing when either the frequency is increased or the ac amplitude is decreased. The numerical modeling uses an approximation form of the semiconductor Maxwell-Bloch equations. Temporal evolution of the spatial profiles of the laser (and of carrier density) is determined without any assumptions about the type or number of modes. Keywords: VCSELs, current modulation, gain switching, transverse mode dynamics, computational modeling

Goorjian, Peter M.↗
NASA NTRS2011

Comparative Validation of Realtime Solar Wind Forecasting Using the UCSD Heliospheric Tomography Model

The University of California, San Diego 3D Heliospheric Tomography Model reconstructs the evolution of heliospheric structures, and can make forecasts of solar wind density and velocity up to 72 hours in the future. The latest model version, installed and running in realtime at the Community Coordinated Modeling Center(CCMC), analyzes scintillations of meter wavelength radio point sources recorded by the Solar-Terrestrial Environment Laboratory(STELab) together with realtime measurements of solar wind speed and density recorded by the Advanced Composition Explorer(ACE) Solar Wind Electron Proton Alpha Monitor(SWEPAM).The solution is reconstructed using tomographic techniques and a simple kinematic wind model. Since installation, the CCMC has been recording the model forecasts and comparing them with ACE measurements, and with forecasts made using other heliospheric models hosted by the CCMC. We report the preliminary results of this validation work and comparison with alternative models.

MacNeice, Peter↗
NASA NTRS2011

What Turns Galaxies Off? the Different Morphologies of Star-Forming and Quiescent Galaxies Since z Approximates 2 from CANDELS

We use HST/WFC3 imaging from the CANDELS multicyc1e treasury survey, in conjunction with the Sloan Digital Sky Survey, to explore the evolution of galactic structure for galaxies with stellar masses > 3 x 10(exp 10) Solar Mass from Z= 2.2 to the present epoch, a time span of 10 Gyr. We explore the relationship between rest-frame optical color, stellar mass, star formation activity and the structural parameters of galaxies as determined from parametric fits to the surface brightness profiles of galaxies. We confirm the dramatic evolution from z= 2.2 to the present day in the number density of non-star-forming galaxies above 3 x 10(exp 10) Solar Mass reported by other authors. We find that the vast majority of these quiescent systems have concentrated light profiles, as parameterized by the Sersic index, and the population of concentrated galaxies grows similarly rapidly. We examine the joint distribution of star formation activity, Sersic index, stellar mass, mass divided by radius (a proxy for velocity dispersion), and stellar surface density. Quiescence correlates poorly with stellar mass at all z < 2.2 (given the approx < 0.2 dex scatter between halo mass and stellar mass at z approximates 0 inferred by More et al, this argues against halo mass being the only factor determining quiescence). Quiescence correlates better with Sersic index, 'velocity dispersion' and stellar surface density, where Sersic index correlates the best (increasingly so at lower redshift). Yet, there is significant scatter between quiescence and galaxy structure: while the vast majority of quiescent galaxies have prominent bulges, many of them have significant disks, and a number of bulge-dominated galaxies have significant star formation. Noting the rarity of quiescent galaxies without prominent bulges, we argue that a prominent bulge (and, perhaps by association, a supermassive black hole) is a necessary but not sufficient condition for quenching star formation on galactic scales over the last 10 Gyr; such a result is qualitatively consistent with the expectations of the AGN feedback paradigm.

Bell, Eric F.↗