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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Integrated geological, economic, and risk assessment of underground hydrogen storage

Underground hydrogen storage (UHS) is a promising option to buffer variable renewable power and support the hydrogen economy. Yet this technology is early-stage, and key uncertainties remain about how coupled processes such as geochemical and geomechanical impacts affect long-term storage security. In this paper, we seek to integrate the results from a large, multi-scale research program to quantify core feasibility metrics and situate these studies within ongoing efforts. Through this work, we evaluate hydrogen recoverability during storage by assessing diffusive losses, losses to geochemical interactions and their subsequent impact on geomechanical properties, and losses to residual saturation during injection and withdrawal. Molecular and laboratory studies show that lithologic heterogeneity, pore geometry, and mineral surface chemistry govern hydrogen–rock interactions, controlling loss pathways. High-pressure coreflooding is used to estimate relative permeabilities and measure parameters needed for reservoir-scale sensitivity analyses. These core-scale experiments found early hydrogen breakthrough at low saturations driven by capillary and viscous fingering, which limits pore-space utilization at early times, while repeated injection and withdrawal cycles improve deliverability over time. Technoeconomic factors and purity requirements for end uses are also considered as part of our comprehensive feasibility analysis. Finally, we underscore the importance of geophysical monitoring and tailored injection strategies to maintain integrity and efficiency. Together, these results provide a quantitative foundation for safe, scalable deployment of UHS and highlight priorities for future integrated studies.

08 HYDROGEN↗
DOE OSTI2022

Tritium Transport Modeling at the Pore Scale in Ceramic Breeder Materials Using TMAP8

Fusion reactors depend on the blanket material to breed and release tritium at the same rate or faster than it is consumed by the fusion reaction. Cellular ceramic breeders (CCBs) are dense materials that can maintain a high tritium breeding ratio while promoting tritium release because of highly connected pores. Assessing the tritium breeding capabilities of these materials requires a combination of extensive experimental and modeling efforts. In this work, we develop and calibrate a multiphysics model of tritium transport. This novel model accounts for ceramic and pore diffusion, trapping and detrapping, and several surface reactions at the pore surface. We perform a sensitivity analysis and calibrate the model by comparing its predictions against experimental measurements of deuterium absorption. The calibrated model is then used to model tritium absorption in samples with different pore microstructures to investigate the effect of pore interconnectivity on tritium absorption. The model is part of the development of the multiscale, multiphysics framework for tritium transport [i.e., the Tritium Migration Analysis Program (TMAP8)], which is itself built on top of the finite-element multiphysics framework multiphysics object-oriented simulation environment (MOOSE). This study demonstrates some of TMAP8’s capabilities and is the first step toward assessing the tritium breeding capabilities of ceramic breeder material designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Lineshape characterization of excitons in monolayer WS 2 by two-dimensional electronic spectroscopy

The optical properties of monolayer transition metal dichalcogenides (TMDCs), an important family of two-dimensional (2D) semiconductors for optoelectronic applications, are dominated by two excitons A (XA) and B (XB) located at K/K's valleys. The lineshape of the excitons is an indicator of the interaction of the excitons with other particles and also largely determines the performance of TMDC-based optoelectronic devices. In this work, we apply 2D electronic spectroscopy (2DES), which enables separation of the intrinsic homogeneous linewidth and the extrinsic inhomogeneous linewidth, to dissect the lineshape of XA in monolayer WS 2 . With a home-built broadband optical parametric amplifier, the 2D spectra give the exciton linewidth values for extensive ranges of excitation densities and temperatures, reflecting inter-exciton and exciton–phonon interactions. Meanwhile, the time-domain evolution of the lineshape reveals a similar rate of spectral diffusion to that in quantum wells (QWs) based on III–V semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Resonant inelastic X-ray scattering endstation at the 1C beamline of Pohang Light Source II

An endstation for resonant inelastic X-ray scattering (RIXS), dedicated to operations in the hard X-ray regime, has been constructed at the 1C beamline of Pohang Light Source II. At the Ir L 3 -edge, a total energy resolution of 34.2 meV was achieved, close to the theoretical estimation of 34.0 meV, which considers factors such as the incident energy bandpass, intrinsic analyzer resolution, geometrical broadening of the spectrometer, finite beam-size effect and Johann aberration. The performance of the RIXS instrument is demonstrated by measuring the RIXS spectra of Sr 2 IrO 4 . The endstation can be easily reconfigured to measure energy-integrated intensities with very low background for diffuse scattering and diffraction experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Nature of contaminants introduced in silicon wafers during molecular beam epitaxy chamber annealing

Epitaxial monolithic III–V/Si tandem solar cells are one of the most promising technologies to be adopted by the industry after the efficiency of the current market dominating single junction silicon solar cell saturates at its fundamental limit. One of the key limitations of this technology is the degradation of silicon wafers during in situ annealing in the molecular beam epitaxy chamber. Determining the nature of contaminants in this process is key to improve the efficiency of epitaxial tandem solar cells. However, to date, the nature of contaminants from molecular beam epitaxy chambers remains unknown. In this work, we use photoluminescence imaging, lifetime spectroscopy, and deep level transient spectroscopy to measure the electronic properties of extrinsic impurities incorporated during annealing in the molecular beam epitaxy chamber. Photoluminescence images reveal that at least two impurities diffuse into silicon wafers during molecular beam epitaxy annealing. One is highly localized, while the other one is distributed uniformly across the whole wafer. Phosphorus diffusion is found to confine the localized impurity within the diffused layer but is ineffective at preventing the indiffusion of other impurities. Lifetime spectroscopy shows that metastable impurities with characteristic similar to Cr and CrB in our molecular beam epitaxy annealed silicon wafers. No evidence of Fe or FeB was observed. The emission rates and concentrations of the electrically active defects were measured with deep-level transient spectroscopy: The emission rates of detected defects do not match that of known Cr-related defects.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Carbon Nanostructure for a Thermoelectric Generator

We demonstrate that it is technologically possible to obtain graphite-like films which can be used for the creation of a thermoelectric generator. The proposed technology ensures uniformity and rather small thickness of these films and allows them to be formed on a diamond-like film substrate with deposited contacts at acceptable interface. Measurements show that the electron-phonon drag effect in this system ensures thermo-emf values about 100 times as large as those provided by the diffusion process. Arrangement of the graphite-like material on a diamond-like film substrate also favors increase in the thermo-emf, which is a manifestation of the electron–ballistic phonon drag. It is established that conditions necessary for the creation of a thermoelectric generator can be achieved based on the proposed carbon nanostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

ODU Optimization of Nb3Sn supttering on SRF structures

High efficiency Superconducting radio-frequency (SRF) cavities are the key technology to cost-effective Continuous Wave (CW) SRF accelerators. Recent advances in Nb3Sn coatings on the inner surface of SRF cavities showed the potential for this material to significantly cut the capital and operating cost of SRF accelerators. The best results are presently achieved with Nb3Sn films coated by using the so-called vapor diffusion technique. Several alternative approaches have been and are being investigated such as electrochemical deposition, bronze routes, and sputtering. Among these techniques, magnetron sputtering is a versatile technique, which has been demonstrated to deposit Nb3Sn films on SRF cavities. The technique requires further development to compete with the results demonstrated on the cavities coated with the vapor diffusion techniques. The team to develop the novel technique includes a graduate student from Old Dominion University (ODU) and other experts. ODU Prof. Elsayed-Ali directs the graduate student to coat samples and cavities in the new coating system and analyze samples with different surface science techniques. Dr. Grigory Eremeev from Fermilab assists with 2.6 GHz cavities for coating, cavity characterization at cryogenic temperature, and result analysis. The research is funded by the Office of High Energy Physics at the US Department of Energy at both Fermilab and ODU

43 PARTICLE ACCELERATORS↗
NASA NTRS1986

Prediction and rational correlation of thermophoretically reduced particle mass transfer to hot surfaces across laminar or turbulent forced-convection gas boundary layers

A formulation previously developed to predict and correlate the thermophoretically-augmented submicron particle mass transfer rate to cold surfaces is found to account for the thermophoretically reduced particle mass transfer rate to overheated surfaces such that thermophoresis brings about a 10-decade reduction below the convective mass transfer rate expected by pure Brownian diffusion and convection alone. Thermophoretic blowing is shown to produce effects on particle concentration boundary-layer (BL) structure and wall mass transfer rates similar to those produced by real blowing through a porous wall. The applicability of the correlations to developing BL-situations is demonstrated by a numerical example relevant to wet-steam technology.

Gokoglu, Suleyman A.↗
NASA NTRS1998

Off-beam (multiply-scattered) lidar returns from stratus: Cloud-information content and sensitivity to noise - 1

We review the basic multiple scattering theory of off-beam lidar returns from optically thick clouds using the diffusion approximation. The shape of the temporal signal - the stretched pulse - depends primarily on the physical thickness of the cloud whereas its spatial counterpart - the diffuse spot - conveys specific information on the cloud's optical thickness, as do the absolute returns. This makes observation of the weak off-beam lidar returns an attractive prospect in remote sensing of cloud properties. By estimating the signal-to-noise ratio, we show that night-time measurements can be performed with existing technology. By the same criterion, day-time operation is a challenge that can only be met with a combination of cutting-edge techniques in filtering and in laser sources.

Davis, Anthony B.↗
NASA NTRS2001

First Materials Science Research Rack Capabilities and Design Features

The first Materials Science Research Rack (MSRR-1) will accommodate dual Experiment Modules (EM's) and provide simultaneous on-orbit processing operations capability. The first international Materials Science Experiment Module for the MSRR-1 is an international cooperative research activity between NASA's Marshall Space Flight Center (MSFC) and the European Space Agency's (ESA) European Space Research and Technology Center. (ESTEC). This International Standard Payload Rack (ISPR) will contain the Materials Science Laboratory (MSL) developed by ESA as an Experiment Module. The MSL Experiment Module will accommodate several on-orbit exchangeable experiment-specific Module Inserts. Module Inserts currently planned are a Quench Module Insert, Low Gradient Furnace, Solidification with Quench Furnace, and Diffusion Module Insert. The second Experiment Module for the MSRR-1 configuration is a commercial device supplied by MSFC's Space Products Department (SPD). It includes capabilities for vapor transport processes and liquid metal sintering. This Experiment Module will be replaced on-orbit with other NASA Materials Science EMs.

Schaefer, D.↗
NASA NTRS2001

Shuttle Flight Experiment on USMP-4: In Situ Monitoring of Crystal Growth Using MEPHISTO

This reports on the MEPHISTO-4 experiment on the Space Shuttle Columbia, STS-87, November 19-December 5, 1997. Involved were NASA; the University of Florida at Gainesville; groups from France that developed and built the furnace; the National Institute of Standards and Technology; The University of New South Wales, Australia; and Purdue University. This was a solidification study in which three long rods of Bismuth- 1 at.% Tin were directionally solidified. The goals were to solidify in an environment free of natural convection; to determine the relationship among solidification growth velocity, growth mode, and temperature; and determine the diffusivity of Sn in Bi. The flight samples grew with a planar solid/liquid interface at velocities less than 3.4 gm/s, and cellular growth was present at velocities greater than 6.7 um/s; grain orientation influenced the planar to cellular transition. The temperature gradient in the liquid was 204 K/cm. The s/l interface was flat with slight concavity. Diffusion-dominated conditions were present during MEPHISTO-4. The Seebeck technique was used to determine the s/I interface temperature during growth, however, to date, analysis of the Seebeck results has not yielded a reliable measurement of the interface temperature. The partition coefficient for Bi alloyed with Sn was measured, k = 0.029.

Abbaschian, Reza↗
DOE OSTI2025

Investigations into the Ternary NaF-KF-UF4 Salt System – Phase A

A knowledge gap exists in the data and understanding of fresh fuel salt and irradiated multicomponent fuel salt systems thermophysical properties. Quantifying these properties is necessary for the design and construction of test reactors, as well as the licensing of future commercial molten-salt reactors. To facilitate thermal property determination on a proposed fuel salt composition for Seaborg Technologies, several samples containing depleted uranium tetrafluoride (UF4), sodium fluoride (NaF), and potassium fluoride (KF) were blended, and a melt temperature analysis was performed. From the melting temperature analysis, it was determined that sample Seaborg-7, a ternary salt composition of 26.4UF4-24.7KF-48.9NaF (mol%), was very near a ternary eutectic point. Therefore, thermal properties such as melting temperature, salt stability, density, heat capacity, thermal diffusivity, and viscosity were experimentally determined on the Seaborg-7 salt. These measurements document the baseline properties of fresh fuel salt as a function of temperature, where future experiments on irradiated fuel salt will provide a holistic perspective on the change of thermophysical properties during reactor operations. Several precision instruments were used to collect property data, and instrument calibrations and data collection were performed and documented in a standardized and reproducible manner with meticulous detail. This process ensured that the measurement procedures and resulting data can readily be duplicated elsewhere. The Seaborg-7 salt was shown to be stable at temperatures up to 900°C, as no mass change was observed upon repeated heating and cooling. The peak melting temperature was determined to be 547°C (557°C endset). The enthalpy of fusion (??H?_fus^o) was determined to be 167.5 ± 2.7 J/g while the enthalpy of crystallization (??H?_c^o) was determined to be -147.8 ± 13.3 J/g. In addition to the eutectic melting peak, upon heating, several pre eutectic peaks were observed, occurring at 470°C (onset) and 499°C (peak). Specific heat capacity measurements showed a slightly increasing trend with respect to temperature in the solid phase, while the liquid-specific heat capacity showed a somewhat flat trend with an average value of 106.1 ± 1.24 J/mol·K between 600 to 800°C. Three independent trials using the Seaborg-7 salt determined the density to be ?(T) = 4.908 – 0.000363·T(°C), validated between 32 to 200°C, and ?(T) = 4.808 – 0.00113·T(°C), validated between ~575 to 850°C. Thermal diffusivity was determined for the liquid state and is represented by the linear equation y = 0.1581 + 0.000207·T(°C) between 550 to 850°C. The viscosity was determined from 600 to 800°C and is represented by the exponential fit equation, ? (mPa·s) = 736.58e^(-0.006·T(°C)). This report documents the conclusion of fuel salt thermophysical property measurements for the Seaborg SPP, Phase A project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Preventing Electrolyte Decomposition on a Ca Metal Electrode Interface Using an Artificial Solid‐Electrolyte Interphase

Abstract Calcium ion batteries are gaining attention as alternatives to lithium‐ion technology because they offer comparable properties at reduced cost and improved safety. However, progress has been limited because of the inability to efficiently and reversibly plate and strip Ca metal anodes in organic electrolytes. Moreover, the inorganic components of the solid‐electrolyte interphase (SEI) that form via decomposition of the electrolyte often do not allow for the diffusion of Ca ions. In this work, an approach combining density functional theory and ab initio molecular dynamics (AIMD) simulations is utilized to show that the use of a preformed artificial SEI layer of amorphous can potentially prevent electrolyte decomposition. First, Ca is shown to be able to intercalate into an amorphous layer (up to Ca 1.5 Al 2 O 3 ) and diffuse through on a reasonable time scale. Through calculation of the density of states, the system is found to remain insulating up to the equilibrium stoichiometry. Finally, AIMD simulations with a realistic organic electrolyte environment are used to show that this calcinated layer completely prevents the decomposition of solvent molecules. This approach can provide a route to efficient rechargeable Ca ion batteries, paving the way for cheap large‐scale energy storage.

Young, Joshua↗
DOE OSTI2019

Field theory and a structure-preserving geometric particle-in-cell algorithm for drift wave instability and turbulence

A field theory and the associated structure-preserving geometric particle-in-cell (PIC) algorithm are developed to study low frequency electrostatic perturbations with fully kinetic ions and adiabatic electrons in magnetized plasmas. The algorithm is constructed by geometrically discretizing the field theory using discrete exterior calculus, high-order Whitney interpolation forms, and non-canonical Hamiltonian splitting method. The discretization preserves the non-canonical symplectic structure of the particle-field system, as well as the electromagnetic gauge symmetry. As a result, the algorithm is charge-conserving and possesses long-term conservation properties. Because drift wave turbulence and anomalous transport intrinsically involve multi time-scales, simulation studies using fully kinetic particles demand algorithms with long-term accuracy and fidelity. The structure-preserving geometric PIC algorithm developed adequately serves this purpose. The algorithm has been implemented in the code, tested and benchmarked using the examples of ion Bernstein waves and drift waves. We apply the algorithm to study the ion temperature gradient (ITG) instability and turbulence in a 2D slab geometry. Simulation results show that at the early stage of the turbulence, the energy diffusion is between the Bohm scaling and gyro-Bohm scaling. Finally, at later time, the observed diffusion is closer to the gyro-Bohm scaling, and density blobs generated by the rupture of unstable modes are the prominent structures of the fully developed ITG turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Multicomponent mutual diffusion in the warm, dense matter regime

In this work, we present the formulation, simulations, and results for multicomponent mutual diffusion coefficients in the warm, dense matter regime. While binary mixtures have received considerable attention for mass transport, far fewer studies have addressed ternary and more complex systems. We therefore explicitly examine ternary systems utilizing the Maxwell-Stefan formulation that relates diffusion to gradients in the chemical potential. Onsager coefficients then connect the macroscopic diffusion to microscopic particle motions, evinced in trajectories characterized by positions and velocities, through various autocorrelation functions (ACFs). These trajectories are generated by molecular dynamics (MD) simulations either through the Born-Oppenheimer approximation, which treats the ions classically and the electrons quantum-mechanically by an orbital-free density-functional theory, or through a classical MD approach with Yukawa pair-potentials, whose effective ionizations and electron screening length derive from quantal considerations. We employ the reference-mean form of the ACFs and determine the center-of-mass coefficients through a simple reference-frame-dependent similarity transformation. The Onsager terms in turn determine the mutual diffusion coefficients. We examine a representative sample of ternary mixtures as a function of density and temperature from those with only light elements (D-Li-C, D-Li-Al) to those with highly asymmetric mass components (D-Li-Cu, D-Li-Ag, H-C-Ag). We also follow trends in the diffusion as a function of number concentration and evaluated the efficacy of various approximations such as the Darken approximation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Self-Consistent Simulation of the Excitation of Compressional Alfvén Eigenmodes and Runaway Electron Diffusion in Tokamak Disruptions

Alfvénic modes in the current quench (CQ) stage of the tokamak disruption have been observed in experiments. In DIII-D the excitation of these modes is associated with the presence of high-energy runaway electrons (REs), and a strong mode excitation is often associated with the failure of RE plateau formation. In this work we present results of self-consistent kinetic-MHD simulations of RE-driven compressional Alfvén eigenmodes (CAEs) in DIII-D disruption scenarios, providing an explanation of the CQ modes. Simulation results reveal that high energy trapped REs can have resonance with the Alfvén mode through their toroidal precession motion, and the resonance frequency is proportional to the energy of REs. The mode frequencies and their relationship with the RE energy are consistent with experimental observations. Further, the perturbed magnetic fields from the modes can lead to spatial diffusion of REs including the nonresonant passing ones, thus providing the theoretical basis for a potential approach for RE mitigation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1976

Some observations on the characteristics of low-cost silicon sheets

To meet the need for low cost silicon sheet material in the ERDA/JPL photovoltaics program, JPL has initiated a wide ranging technology development effort in crystal growth that includes several different technology thrusts. They range in scope from innovative ingot growth and multislice wafering, to shaped growth techniques, substrate-related processes and hot forming techniques. In this paper, some salient observations on materials resulting from these processes are reported. Included are multiblade wafering-induced damage studies, interface morphology studies on the heat exchanger cast silicon, some diffusion length measurements in thin silicon layers on ceramic substrates, and results on the equilibrium structure found in laser zone ribbon growth.

Digges, T. G., Jr.↗
NASA NTRS1984

Solidification and crystal growth of solid solution semiconducting alloys

Problems associated with the solidification and crytal growth of solid-solution semiconducting alloy crystals in a terrestrial environment are described. A detailed description is given of the results for the growth of mercury cadmium telluride (HgCdTe) alloy crystals by directional solidification, because of their considerable technological importance. A series of HgCdTe alloy crystals are grown from pseudobinary melts by a vertical Bridgman method using a wide range of growth rates and thermal conditions. Precision measurements are performed to establish compositional profiles for the crystals. The compositional variations are related to compositional variations in the melts that can result from two-dimensional diffusion or density gradient driven flow effects ahead of the growth interface. These effects are discussed in terms of the alloy phase equilibrium properties, the recent high temperature thermophysical data for the alloys and the highly unusual heat transfer characteristics of the alloy/ampule/furnace system that may readily lead to double diffusive convective flows in a gravitational environment.

Lehoczky, S. L.↗