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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Analysis of coherent Thomson scattering from a low temperature plasma

In this work, the spectrum of coherent Thomson scattering (CTS) induced by a periodic ponderomotive perturbation in a low-density low temperature plasma is considered. The analysis is performed for the case when the period of the resulting optical lattice is less than the Debye screening length in the plasma by solving an electron Boltzmann equation, where the total force is the sum of the periodic force due to the optical lattice and the electrostatic force due to self-consistent electric field in the plasma. An analogy between the CTS spectra calculated here and coherent Rayleigh scattering spectra in a neutral gas is established. For relatively low intensity for the optical lattice, the calculated CTS spectra are nearly Gaussian with widths slightly wider than the incoherent Thomson widths. We demonstrate that at higher intensities the line shape narrows and saturates to a width approximately half of that found at low lattice intensities. The proportionality of the spectral width to the square root of the electron temperature allows one to extract the electron temperature from the saturated spectra. Possible application of CTS for remote measuring the electron temperature in plasma is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Synthesis, Stability, and Magnetic Properties of Antiperovskite Co 3 PdN

Experimental synthesis and characterization of theoretically predicted compounds are important steps in the materials discovery pipeline. Here, we report on the synthesis of Co 3 PdN, which was recently predicted to be a stable magnetic antiperovskite. The Co 3 PdN thin films were grown by reactive sputtering and were confirmed to form in an antiperovskite crystal structure. The thermal stability of the compound is demonstrated up to 600 K by in situ X-ray diffraction, though the phase persists at slightly higher temperatures (700 K) in an air-free magnetometer. Both ab initio calculations and magnetization measurements find Co 3 PdN to be ferromagnetic with an experimentally determined Curie temperature of T C = 560 ± 5 K. The saturation magnetization of 1.2 μ B /Co found in the experiment is slightly lower than the 1.7 μ B /Co value expected by theory. A narrow magnetic hysteresis loop with a coercive field of 100 Oe at low temperature suggests that Co 3 PdN might be useful in electronic applications requiring fast switching of the magnetization vector. While prior prediction of Co 3 PdN showed a gapped electronic band structure for each spin channel, we show that this was due to incomplete sampling of Brillouin zone paths and that band crossings exist along R-X|M and X|M-R paths. The metallic nature of Co 3 PdN is further confirmed by temperature-dependent transport measurements, which also show a considerable anomalous Hall effect. Altogether, this work represents an appreciable step toward understanding the synthesis, structure, stability, and properties of a new magnetic material.

14 SOLAR ENERGY↗
DOE OSTI2021

Vapor Pressures of RDX and HMX Explosives Measured at and Near Room Temperature: 1,3,5-Trinitro-1,3,5-triazinane and 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane

Knowing accurate saturated vapor pressures of explosives at ambient conditions is imperative to provide realistic boundaries on available vapor for ultra-trace detection. In quantifying vapor content emanating from low-volatility explosives, we observed discrepancies between the quantity of explosive expected based on literature vapor pressure values and the amount detected near ambient temperatures. Most vapor pressure measurements for low-volatility explosives, such as RDX (1,3,5-trinitro-1,3,5-triazinane) and HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane), have been made at temperatures far exceeding 25 °C and linear extrapolation of these higher temperature trends appears to underestimate vapor pressures near room temperature. Our goal was to measure vapor pressures as a function of temperature closer to ambient conditions. We used saturated RDX and HMX vapor sources at controlled temperatures to produce vapors that were then collected and analyzed via atmospheric flow tube-mass spectrometry (AFT-MS). The parts-per-quadrillion (ppqv) sensitivity of AFT-MS enabled measurement of RDX vapor pressures at temperatures as low as 7 °C and HMX vapor pressures at temperatures as low as 40 °C for the first time. Furthermore, these vapor pressures were corroborated with analysis of vapor generated by nebulizing low concentration solutions of RDX and HMX. We report updated vapor pressure values for both RDX and HMX. Based on our measurements, the vapor pressure of RDX at 25 °C is 3 ± 1 x 10-11 atm (i.e. 30 parts per trillion by volume, pptv), the vapor pressure of HMX is 1.0 ± 0.6 x 10-14 atm (10 ppqv) at 40 °C and, with extrapolation, HMX has a vapor pressure of 1.0 ± 0.6 x 10-15 atm (1.0 ppqv) at 25 °C.

RDX, HMX, explosives, vapor pressure, vapor detect↗
DOE OSTI2024

Magnetic anisotropy and GGG substrate stray field in YIG films down to millikelvin temperatures

Abstract Quantum magnonics investigates the quantum-mechanical properties of magnons, such as quantum coherence or entanglement for solid-state quantum information technologies at the nanoscale. The most promising material for quantum magnonics is the ferrimagnetic yttrium iron garnet (YIG), which hosts magnons with the longest lifetimes. YIG films of the highest quality are grown on a paramagnetic gadolinium gallium garnet (GGG) substrate. The literature has reported that ferromagnetic resonance (FMR) frequencies of YIG/GGG decrease at temperatures below 50 K despite the increase in YIG magnetization. We investigated a 97 nm-thick YIG film grown on 500 μm-thick GGG substrate through a series of experiments conducted at temperatures as low as 30 mK, and using both analytical and numerical methods. Our findings suggest that the primary factor contributing to the FMR frequency shift is the stray magnetic field created by the partially magnetized GGG substrate. This stray field is antiparallel to the applied external field and is highly inhomogeneous, reaching up to 40 mT in the center of the sample. At temperatures below 500 mK, the GGG field exhibits a saturation that cannot be described by the standard Brillouin function for a paramagnet. Including the calculated GGG field in the analysis of the FMR frequency versus temperature dependence allowed the determination of the cubic and uniaxial anisotropies. We find that the total crystallographic anisotropy increases more than three times with the decrease in temperature down to 2 K. Our findings enable accurate predictions of the YIG/GGG magnetic systems behavior at low and ultralow millikelvin temperatures, crucial for developing quantum magnonic devices.

Serha, Rostyslav O.↗
DOE OSTI2020

Amorphous nonstoichiometric oxides with tunable room-temperature ferromagnetism and electrical transport

Material functionalities strongly depend on the stoichiometry, crystal structure, and homogeneity. Here we demonstrate an approach of amorphous nonstoichiometric inhomogeneous oxides to realize tunable ferromagnetism and electrical transport at room temperature. In order to verify the origin of the ferromagnetism, we employed a series of structural, chemical, and electronic state characterizations. Combined with electron microscopy and transport measurements, synchrotron-based grazing incident wide angle X-ray scattering, soft X-ray absorption and circular dichroism clearly reveal that the room-temperature ferromagnetism originates from the In 0.23 Co 0.77 O 1-v amorphous phase with a large tunable range of oxygen vacancies. The room-temperature ferromagnetism is tunable from a high saturation magnetization of 500 emu cm -3 to below 25 emu cm -3 , with the evolving electrical resistivity from 5 × 10 3 μΩ cm to above 2.5 × 10 5 μΩ cm. Inhomogeneous nano-crystallization emerges with decreasing oxygen vacancies, driving the system towards non-ferromagnetism and insulating regime. Our work unfolds the novel functionalities of amorphous nonstoichiometric inhomogeneous oxides, which opens up new opportunities for developing spintronic materials with superior magnetic and transport properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Plasma enhanced atomic layer deposition and atomic layer etching of gallium oxide using trimethylgallium

Atomic layer etching driven by self-limiting thermal reactions has recently been developed as a highly conformal and isotropic technique for low damage atomic scale material removal by sequential exposures of vapor phase reactants. Gallium oxide (Ga2O3) is currently among the materials of interest due to a large variety of applications including power electronics, solar cells, gas sensors, and photon detectors. In this study, Ga2O3 was deposited by plasma enhanced atomic layer deposition using trimethylgallium [TMG, Ga(CH3)3] and O2 plasma at a substrate temperature of 200 °C. We report a newly developed method for Ga2O3 thermal atomic layer etching, in which surface modification is achieved through HF exposure resulting in a gallium fluoride surface layer, and then removed through volatile product formation via ligand exchange with TMG. Saturation of the precursor exposure at a substrate temperature of 300 °C resulted in an etch rate of 1.0 ± 0.1 Å/cycle for amorphous Ga2O3. Uniformity and conformality of the atomic layer etching process were confirmed via atomic force microscopy with a measured surface roughness of 0.55 ± 0.05 nm that remains unchanged after etching. The use of TMG for etching may expand available precursors for atomic layer etching processes, while allowing for both etching and deposition of Ga2O3 using the same metalorganic precursor.

Hatch, Kevin A. (ORCID:0000000283118623)↗
DOE OSTI2021

Impact of exposure to brine/CO 2 on the mechanical and transport properties of the Mt. Simon Sandstone

When sandstone rocks are exposed to CO 2 -saturated brine, their transport and mechanical properties can, potentially, change due to chemical reactions as a result of such exposure. This paper investigates changes in the flow-through characteristics, porosity, and the mechanical properties of Mt. Simon Sandstone samples caused by such exposure to brine/CO 2 . A core, extracted from the Mt. Simon formation, was first characterized for its porosity and relevant transport properties, and it was then aged for over 500 hr in CO 2 -saturated brine at formation-relevant pressure, temperature, and confining stress conditions. The deformation of the sample was measured in situ during aging via strain gauges attached to the core's surface. Following the aging experiment, the sample's porosity and transport properties were again analyzed. Our experiments show that both the porosity and permeability of the Mt. Simon sandstone sample increase due to exposure to brine/CO 2 , with the impact on permeability being more significant. The deformation measurements employing strain gauges indicate a weakening of the core material. Analysis of the composition of the brine at the conclusion of the testing reveals changes, specifically, an increase in the concentration of several of the cations. These changes are indicative of mineral/clay dissolution, consistent with the porosity, permeability, and strain gauge measurements.

58 GEOSCIENCES↗
DOE OSTI2021

Stream discharge and water quality data for East Fork Poplar Creek beginning 2012

This data note describes 15-min discharge and in situ water quality data at two locations along East Fork Poplar Creek in east Tennessee, USA. Data records include temperature, gauge height, water surface elevation above mean sea level, and volumetric discharge. Water quality measurements include temperature, specific conductance, pH, dissolved oxygen (percent saturation and concentration), turbidity, and less extensive fDOM data at one site. The data records begin in 2012 at one site and 2015 at the second site; monitoring at both sites is ongoing (as of 2021). The goal of this data collection is to improve understanding of watershed functions, hydrologic dynamics, and material flux. The data will contribute to site conceptual and numerical models, exposure and risk evaluation, remediation selection and design, and performance monitoring. The data are publicly available and can be accessed via unique url or DOI.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Cubic to hexagonal tuning in Fe 2 Mn(Si 1– x Ge x ) Heusler alloys

Here, the competition between the stability of the cubic and hexagonal full Heusler alloys and the implications concerning their magnetic properties were systematically studied through the detailed structural and magnetic characterization of the Fe 2 Mn(Si 1– x Ge x ) system. This system was specifically chosen as the parent compositions are cubic ( x = 0) and hexagonal ( x = 1). It is found that the formation of hexagonal phases occurs for the x ≥ 0.6 samples, whereas its phase fraction monotonically increases with x until the pure hexagonal Fe 2 MnGe is formed. The change in structure results in high sensitiveness of both the saturation of magnetization ($M_S$) and Curie temperature ($T_C$) with x values, related to a strong magnetocrystalline anisotropy of the hexagonal phase. Both cubic and hexagonal magnetic features were qualitatively reproduced by Density Functional Theory (DFT) calculations. This work provides an experimental and theoretical foundation for further design of Heusler systems with controlled structures and magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Superconducting nanowires as high-rate photon detectors in strong magnetic fields

Superconducting nanowire single photon detectors are capable of single-photon detection across a large spectral range, with near unity detection efficiency, picosecond timing jitter, and sub-10 µm position resolution at rates as high as 10 9 counts/s. In an effort to bring this technology into nuclear physics experiments, we fabricate Niobium Nitride nanowire detectors using novel material preparation methods and test their performance in strong magnetic fields. Furthermore, we demonstrate that these devices are capable of detection of 400 nm wavelength photons with saturated internal quantum efficiency at liquid helium temperatures and in magnetic fields potentially up to 8 T at high rates and with nearly zero dark counts.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Mild-Annealed Molecular Layer Deposition (MLD) Tincone Thin Film as Photoelectrochemically Stable and Efficient Electron Transport Layer for Si Photocathodes

Metalcone thin films, composed of inorganic–organic hybrids, are synthesized using molecular layer deposition (MLD) through reactions between organometallic precursors (e.g., Sn, Al, and Ti) and organic reactants (e.g., ethylene glycol and glycerol). Despite their unique properties, metalcones exhibit significant vulnerability to water due to their organic components, limiting their potential in electrochemical applications. This study focuses on enhancing the photoelectrochemical stability of tincone thin films in aqueous electrolyte while preserving their hybrid characteristics through mild annealing in air at 250 °C. As-deposited and vacuum-annealed tincone thin films exhibited significant degradation under these conditions, while high-temperature-annealed (500 °C) tincone thin films offered improved stability with a significant decline in charge transfer efficiency. In contrast, mild annealing in air maintained the C–O bond at half level and improved the stability and charge transport without compromising the unique characteristics of tincone. This was confirmed by ellipsometry, X-ray photoelectron spectroscopy (XPS), and Fourier transform infrared spectroscopy (FTIR). Mild-annealed tincone deposited on a lightly doped p-type silicon (p-Si) photocathode produced a 20-fold increase in CO volume compared to high-temperature annealed tincone in a CO 2 -saturated potassium bicarbonate (KHCO 3 ) electrolyte with dispersed graphene oxide–cobalt phthalocyanine (GO-CoPc) under 1 sun illumination at 0.9 V vs reversible hydrogen electrode (RHE), while maintaining the faradaic efficiency for CO and H 2 . These results suggest that mild-annealed tincone thin films hold significant potential as protective charge transport layers on silicon photocathodes for the aqueous CO 2 reduction reaction (CO 2 RR).

Annealing (metallurgy)↗
DOE OSTI2025

Physics or Knob‐Tuning? Tropical Anvil Peak Is Captured by GCMs

Tropical anvil clouds peak near 200 hPa and significantly impact Earth's climate, yet its physical realism in coarse‐resolution General Circulation Models (GCMs) remains debated. We examine anvil cloud formation by performing simulations with a GCM with a hierarchy of cloud fraction schemes ranging from a complex prognostic Tiedtke scheme to a simple binary scheme. All schemes consistently reproduce the anvil peak. The robust anvil peak arises because extremely cold temperatures at the upper troposphere facilitate frequent saturation events, producing clouds that disproportionately influence mean cloud fraction. Sensitivity experiments with enhanced evaporation of cloud condensate unexpectedly show increased anvil coverage, highlighting how slight evaporative moistening reinforces local saturation in cold upper‐tropospheric conditions. These results demonstrate that the tropical anvil cloud peak emerges from fundamental thermodynamic constraints, rather than specific cloud fraction parameterization choices.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study

Here, we present results of combined experimental and computations study of V2CoAl, a Heusler alloy that exhibits nearly perfect spin-polarization. Our calculations indicate that this material maintains a high degree of spin-polarization (over 90%) in the wide range of lattice parameters, except at the largest considered unit cell volume. The magnetic alignment of V2CoAl is ferrimagnetic, due to the antialignment of the magnetic moments of vanadium atoms in their two sublattices. The calculated total magnetic moment per formula unit is nearly integer at the optimal lattice parameter and at the smaller volumes of the unit cell, but it deviated from the integer values as the unit cell expands. This is consistent with the calculated variation in the degree of spin polarization with lattice constant. The expected ferrimagnetic behavior has been observed in the arc-melted V2CoAl sample, with a Curie temperature of about 80 K. However, the saturation magnetization is significantly smaller than the theoretical prediction of ∼2 μB/f.u., most likely due to the observed B2-type atomic disorder. The samples exhibit metallic electron transport across the measurement range of 2 K to 300 K.

Kharel, Parashu (ORCID:0000000171330718)↗
DOE OSTI2023

Electronic, magnetic, and structural properties of NiFeMnAl

Abstract Half-metallic Heusler compounds have been extensively studied in the recent years, both experimentally and theoretically, for potential applications in spin-based electronics. Here, we present the results of a combined theoretical and experimental study of the quaternary Heusler compound NiFeMnAl. Our calculations indicate that this material is half-metallic in the ground state and maintains its half-metallic electronic structure under a considerable range of external hydrostatic pressure and biaxial strain. NiFeMnAl crystallizes in the regular cubic Heusler structure, and exhibits ferromagnetic alignment. The practical feasibility of the proposed system is confirmed in the experimental section of this work. More specifically, a bulk ingot of NiFeMnAl was synthesized in A2 type disordered cubic structure using arc melting. It shows a high Curie temperature of about 468 K and a saturation magnetization of 2.3 μ B / f .u . The measured magnetization value is smaller than the one calculated for the ordered structure. This discrepancy is likely due to the A2 type atomic disorder, as demonstrated by our calculations. We hope that the presented results may be useful for researchers working on practical applications of spin-based electronics.

Physics↗
DOE OSTI2021

Time-dependent experimental identification of inter-ELM microtearing modes in the tokamak edge on DIII-D

In a series of discharges on the DIII-D tokamak, fast vertical plasma jogs are used to induce current perturbations in the steep gradient region of the H-mode edge. These current perturbations directly influence the edge q profile, decoupling the resonant location and instability drive of pedestal-localized microtearing modes (MTMs.) By exploiting this effect, we develop and apply a new experimental technique to track the dynamical frequency evolution of MTMs in the pedestal region, providing a compelling validation of the MTM model. The frequency of potential MTMs is calculated as the Doppler-shifted electron diamagnetic frequency at rational q=m/n surfaces, showing remarkable agreement with chirped frequency behavior of n=3, 4 and 5 modes detected with fast magnetics. Data is collected throughout multiple ELM cycles in order to build robust statistics describing the time-dependent frequency evolution of MTMs, which can be explained by examining the recovery of pedestal gradients after an ELM event. MTMs have a dominant transport contribution in the electron thermal channel, so the presented results indicate that reduced models of pedestal transport must be electromagnetic in nature and constructed with accurate calculations of MTM stability; inclusion of this physics is essential for accurate predictions of the electron temperature pedestal profile. Supporting measurements of mode saturation, propagation direction and transport fingerprints are made to support the dynamic frequency determination, unambiguously and experimentally identifying MTMs in the pedestal region of DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Start-up and Emergency Shutdown Modeling for a Coal-fired 10MWe sCO₂ Power Plant

As part of a Phase II Front End Engineering Design (FEED) study for the DOE Fossil Fuel Large Scale Pilots program, investigations of novel start-up and emergency shutdown methods for a stoker-fed, coal-fired, 10MWe sCO₂ power plant proposal were performed. These investigations were performed using 1D transient system models of the plant created within the GT-SUITE system modeling platform. The system model components were created using vendor quotation data (heat exchangers), performance maps (turbomachines), or FMU models (fired heater). Previously, Echogen Power Systems (Echogen) has used a sCO₂ power cycle start-up method that fills the system with liquid CO₂ to facilitate easy use of an electrically-driven start pump to transition the system from initial CO₂ fill to turbo-compressor initialization. The novel start-up method presented attempts this transition with a minimal filling of the system with liquid CO₂, to reduce the total CO₂ inventory required. This method leaves the start pump vulnerable to a two phase inlet condition as system pressure is below the CO₂ saturation pressure for the condenser cooling water temperature (Tcw). System model cases at Tcw of 18°C, 26°C, and 32°C, corresponding to cold, design, and hot ambient days, were analyzed to determine if the SP inlet condition could be kept as a subcooled liquid and estimate the CO₂ inventory reduction amount./p> Stoker-fed, coal-fired heaters continue to emit heat for some time even after emergency shutdown from events such as a power failure. This heat emission would lead to a failure of the fired heater, as the metal overheats, if the CO₂ flow is shut off. The emergency shutdown method presented utilizes CO₂ vented by a controllable vent valve (CRV) to provide CO₂ cooling flow to the fired heater. To determine the effectiveness of this method at keeping the fired heater peak tubing metal temperature below the ASME material temperature limit, for pressures below 5 MPa, of 816 °C, system model cases with CRV diameters ranging from 4” to 10”, and an alternative CO₂ vent routing with CRV size of 6”, were investigated./p>

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Magnetisation and magneto-transport measurements on CeBi single crystals

In this study, we report the synthesis of CeBi single crystals out of Bi self-flux and a systematic study of the magnetic and transport properties with varying temperature and applied magnetic fields. From these R(T, H) and M(T, H) data, we could assemble the field-temperature (H⁻T) phase diagram for CeBi and visualise the three-dimensional M⁻T⁻H surface. In the phase diagram, we identify regions with well-defined magnetisation values and identify a new phase region. The magnetoresistance (MR) in the low-temperature regime shows, above 6T a power-law, non-saturated behaviour with large MR (~3 × 10 5 % at 2K and 13.95T), along with Shubnikov–de Haas oscillations. With increasing temperatures, MR decreases, and then becomes negative for T ⪆10 K . This crossover in MR seems to be unrelated to any specific magnetic or metamagnetic transitions, but rather is associated with changing from a low-temperature normal metal regime with little or no scattering from the Ce 3 + moments and an anomalously large MR, to increased scattering from local Ce moments and a negative MR as temperature increases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Extreme Molecular Complexity Resulting in a Continuum of Carbonaceous Species in Biomass Burning Tar Balls from Wildfire Smoke

Biomass burning emits a wide range of carbonaceous particles into the atmosphere and has negative impacts on human health and the Earth’s radiative balance. Nonvolatile spherical organic aerosol particles, commonly known as tar balls, represent one of the most abundant particles in aged biomass burning smoke. However, the detailed molecular-level composition of ambient tar balls is largely unknown but critical to access their environmental impacts. Ambient aerosol samples collected during a wildfire event, which were ~90% tar balls by number fraction, were analyzed using ultrahigh resolution Orbitrap Elite mass spectrometry with four complementary ionization modes. Our results show the molecular composition of tar balls to be complex, composed of over 10,000 molecular formulas. Model estimated saturation mass concentrations and relative humidity dependent glass transition temperatures were consistent with low volatility and solid morphology as expected for tar balls. Room-temperature evaporation kinetics showed that these particles were composed of ~90% non-volatile species. The molecular complexity detected here signifies a continuum of carbonaceous species, ranging from C3 to C45 with continuous ranges of oxygenation and hydrogen saturation for each Cn. Approximately 24% of molecular formulas were estimated the be highly aromatic, which could indicate chemical compounds with negative health effects, and which may contribute to visible light absorption. The carbon continuum observed here has significant implications for the molecular characterization of atmospheric organic matter. The level of complexity detected here should not be ignored in future studies and we demonstrate that multiple analytical methods may be required to suitably interpret this complexity on a molecular level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗