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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Understanding Pore Formation in ALD Alumina Overcoats

AlO X thin films deposited by atomic layer deposition (ALD) have previously been used to increase both stability and selectivity of supported palladium catalysts and are known to develop nanoscale porosity upon heating. Furthermore, understanding the factors that affect ALD thin film porosity would enable future design of layered catalytic structures with tunable nanoscale features on industrially relevant high surface area materials. In this study, porous and nonporous aluminum oxide supports with and without palladium nanoparticles were overcoated with thin films of 2 - 7 nm AlO X by ALD deposited at temperatures of 100 °C, 200 °C and 300 °C. Hydroxyl loss and changes in surface chemistry were observed upon heating the films, and changes in surface area and pore volume of the annealed films were correlated to AlO x deposition temperature and presence of Pd. Crystallization of the overcoat to γ-Al 2 O 3 is shown to occur separately from hydroxyl loss and pore formation. A mechanistic understanding of pore formation in AlO X ALD films is obtained by reference to studies of the structural transformations accompanying the formation of transition aluminas from hydroxide precursors. Additionally, a direct and tunable correlation is established between pore development and the overall hydroxyl content of AlO X ALD coatings.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sequential Recovery of Critical Metals from Leached Liquor of Processed Spent Lithium-Ion Batteries

The processing and extraction of critical metals from black mass is important to battery recycling. Separation and recovery of critical metals (Co, Ni, Li, and Mn) from other metal impurities must yield purified metal salts, while avoiding substantial losses of critical metals. Solvent extraction in batch experiments were conducted using mixed metal sulphates obtained from the leach liquor obtained from spent and shredded lithium-ion batteries. Selective extraction of Mn 2+ , Fe 3+ , Al 3+ and Cu 2+ from simulated and real leached mixed metals solution was carried out using di-2-ethylhexylphophoric acid (D2EPHA) and Cyanex-272 at varying pH. Further experiments with the preferred extractant (D2EPHA) were performed under different conditions: changing the concentration of extractant, organic to aqueous ratio, and varying the diluents. At optimum conditions (40% v/v D2EPHA in kerosene, pH 2.5, O:A = 1:1, 25 °C, and 20 min), 85% Mn 2+ , 98% Al 3+ , 100% Fe 3+ , and 43% Cu 2+ were extracted with losses of only trace amounts (<5.0%) of Co 2+ , Ni 2+ , and Li + . The order of extraction efficiency for the diluents was found to be kerosene > Exxal-10 >>> dichloromethane (CH 2 Cl 2 ) > toluene. Four stages of stripping of metals loaded on D2EPHA were performed as co-extracted metal impurities were selectively stripped, and a purified MnSO 4 solution was produced. Spent extractant was regenerated after Fe 3+ and Al 3+ were completely stripped using 1.0 M oxalic acid (C 2 H 2 O 4 ).

25 ENERGY STORAGE↗
DOE OSTI2021

Verification of a quasi-linear model for gyrokinetic turbulent transport

The verification and calibration of a new quasi-linear transport model with a large database of gyrokinetic turbulence simulations is presented in this paper. In a previous paper (Staebler et al 2020 Plasma Phys. Control. Fusion 63 015013), a model for the saturated spectrum of electric potential fluctuations was developed based on the properties of the non-linear 3D spectrum. In this paper, a modification to the overall multiplicative factor in this model is found to be necessary to improve the fit to scans of the temperature and density gradients. The error in the fit of the quasi-linear fluxes of electron and ion energy fluxes is significantly better than for previous saturation models. The spectral shift model for the impact of equilibrium E × B velocity shear (Staebler et al 2013 Phys. Rev. Lett. 110 055003) and the zonal flow mixing model for electron-scale turbulence (Staebler et al 2016 Phys. Plasmas 23 062518) are both revised to be compatible with this new model. Furthermore, the models for the loss of bounce averaging and electron collisions in the TGLF reduced linear equations (Staebler et al 2005 Phys. Plasmas 12 102508) are also changed to improve the linear eigenmodes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

UV-Induced Degradation of High-Efficiency Solar Cells with Different Architectures

The ultraviolet-induced degradation (UVID) of solar panels is associated with the deterioration of cell performance and reduced reliability of packaging materials. Here we examine the UV stability of different architectures of high-efficiency solar cells without any encapsulation. Identical UV exposure tests were performed at two different labs using UVA-340 fluorescent lamps under different electrical bias configurations (open- or short-circuit) and irradiated cell surfaces (for bifacial technologies). Cell technologies, including heterojunction (HJ), interdigitated back-contact cells (IBC), passivated emitter rear contact (PERC), passivated emitter rear totally-diffused (PERT), are found to be more susceptible to UVID, leading to significant Isc loss (up to 4%) and P max loss (up to 15%) as compared to the conventional back surface field (Al-BSF) cells after exposure to UV irradiation of 8.92 MJ-m -2 -nm -1 at 340 nm. Additionally, the bifacial cells when irradiated from the backside exhibited greater photocurrent loss compared to the front side exposure, indicating potential sensitivity of rear surface passivation to UV radiation.

crystalline silicon↗
DOE OSTI2024

Dielectric loss due to charged-defect acoustic phonon emission

The coherence times of state-of-the-art superconducting qubits are limited by bulk dielectric loss, yet the microscopic mechanism leading to this loss is unclear. Here, we propose that the experimentally observed loss can be attributed to the presence of charged defects that enable the absorption of electromagnetic radiation by the emission of acoustic phonons. Our explicit derivation of the absorption coefficient for this mechanism allows us to derive a loss tangent of 7.2 × 10−9 for Al2O3, in good agreement with recent high-precision measurements [Read et al., Phys. Rev. Appl. 19, 034064 (2023)]. We also find that for temperatures well below ∼0.2 K, the loss should be independent of temperature, which is also in agreement with observations. Our investigations show that the loss per defect depends mainly on properties of the host material, and a high-throughput search suggests that diamond, cubic BN, AlN, and SiC are optimal in this respect.

Turiansky, Mark E. (ORCID:0000000291543582)↗
DOE OSTI2024

Comparative Analysis of Reactivity of Al and Ga Doped Garnet Solid State Electrolyte at the Interface with Li Metal

Lithium garnet (Li 7 La 3 Zr 2 O 12 , LLZO) based solid electrolytes are leading candidate materials for all-solid-state batteries with lithium metal anodes because of their high ionic conductivity, high mechanical toughness, and superior electrochemical stability. While doping LLZO with Al and Ga increases its ionic conductivity by stabilizing the cubic phase, the impact of dopants on its (electro)chemical stability at the interfaces with Li metal is critical. Here, our study of differences between Al- and Ga-doped LLZO when interfaced with lithium metal using X-ray photoelectron spectroscopy and density functional theory shows a higher propensity of Ga to move across LLZO interface with Li metal and form Ga-Li alloy. Additionally, neutron diffraction reveals loss of cubic phase resulting from the loss of dopant that explains electrochemical behavior differences between Ga- and Al-doped LLZO. Overall, our study reveals the key role of dopant chemistry in enabling stable solid electrolyte materials for all-solid-state batteries.

Klenk, Matthew↗
DOE OSTI2025

Investigation of High-Temperature Compatibility of Select Oxides with Yttrium Hydride for Micro and Space Reactor Applications

Yttrium hydride is a promising material for a high-temperature neutron moderator in advanced micro and space reactors due to its high hydrogen density and relative thermal stability compared to other metal hydrides. However, yttrium hydride desorbs hydrogen rapidly at temperatures above 800°C, which is below the operational temperature range of some reactor designs. A hydrogen barrier coating of oxide on the hydride surface may inhibit hydrogen loss at 800°C and beyond, but the high-temperature compatibility between yttrium hydride and many oxides is currently unknown. The high-temperature compatibility of Al 2 O 3 , MgO, and Y 2 O 3 with YH 1.92 was examined by subjecting mixed oxide–hydride pellets to a 1200°C heat treatment then using a combination of diffractometry, microscopy, and spectroscopy to determine changes in the pellet composition as a result. Yttrium scavenged oxygen from both Al 2 O 3 and MgO to form Y 2 O 3 , resulting in significant loss of YH 1.92 . Yttrium reacted with reduced aluminum to form YAl 2 and several other compounds. Reduced magnesium volatilized above 1091°C and vacated the pellet. Only Y 2 O 3 did not appreciably react with YH 1.92 . Of the three oxides tested, only Y 2 O 3 was compatible with YH 1.92 at 1200°C based on the experimental criteria.

compatibility↗
DOE OSTI2020

Burrowing Owl Conservation Report: 2020

The Western Burrowing Owl (Athene cunicularia) is a small migratory species of owl found throughout the Western United States. Burrowing Owls are found throughout a variety of habitats including shrubsteppe; and during the breeding season the Hanford Site is situated at the center of the predicted distribution of Burrowing Owls in Washington State (Smith et al. 1997). The Western Burrowing Owl is declining over much of its range, including on the Hanford Site and throughout the Columbia Basin (HNF-59375, Conway 2006). These declines have been attributed to habitat loss and a subsequent loss in burrowing mammals that the owls depend on for nesting habitat (Conway et al. 2006, Johnson et al. 2010). The Washington State Department of Fish and Wildlife lists Western Burrowing Owls as a Candidate Species, meaning the species is a candidate for listing as Sensitive, Threatened, or Endangered in Washington (WDFW 2020). Without intervention, continued declines may result in the extirpation of Burrowing Owls from the Hanford Site and the Columbia Basin.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Coupled Decay Heat and Thermal Hydraulic Capability for Loss-of-Coolant Accident Simulations

As the nuclear energy industry considers ways to achieve improved economics in the current fleet of light-water reactors (LWRs), one possible approach is to operate each cycle for longer durations. This causes a greater portion of the fuel to be burned and reduces the frequency of outages, which ultimately reduces the cost to operate the reactor. However, this also leads to higher burnup fuels than has traditionally been allowed in these reactors. Thus, there are concerns about integrity of high-burnup (HBu) fuel, especially during accident conditions such as loss-of-coolant accidents (LOCAs), as shown by Capps et al.. To investigate these concerns, advanced modeling and simulation capabilities are being leveraged to determine the susceptibility of HBu fuel to fuel fragmentation, relocation, and dispersion (FFRD). Improvements have previously been made to fuel performance capabilities to more accurately model these phenomena; multiphysics simulations have also been conducted to determine the power and burnup histories of the HBu fuel, which are needed as inputs for the fuel performance calculations. Most recently, new statistical approaches have been developed to identify a subset of fuel rods that have greater FFRD susceptibility, reducing the total number of fuel performance simulations required. Prior LOCA simulations have relied on the TRACE systems code, which can model the core and primary loop during accident conditions. TRACE includes many models for various aspects of the primary loop, but two sets of models are important for this report. First, TRACE uses a lumped-fuel approach for modeling the core. This approximates the ~50,000 fuel rods in the core with a much smaller number of rods. The rods can be lumped in various ways as determined by the user. For example, one lumped rod may be used to represent all rods in an assembly, sometimes with an additional rod representing the hottest fuel rod. However, due to runtime constraints and complexity of modeling, a more common approach is to group several assemblies or larger regions of the core into single lumped rods. These lumping schemes apply not only to fuel rods but to flow channels as well. Second, TRACE has several different models for treating decay heat, ranging from pregenerated decay heat curves based on an ANSI/ANS-5.1 standard (hereinafter abbreviated simply as ANSI) to explicit time-dependent heat inputs from the user. None of these models account for differences in isotopics between different rods, which is an approximation the work in this report seeks to eliminate. This report focuses on the implementation of coupled decay heat capabilities in the Virtual Environment for Reactor Applications (VERA) code suite to address a gap identified in previous LOCA simulations. This constitutes an improvement for both the lumped-fuel and decay heat models in TRACE. VERA has been developed to perform high-fidelity, whole-core multiphysics simulations for LWRs. Previously, during the Consortium for Advanced Simulation of LWRs (CASL) program, the emphasis was on providing accurate steady-state analysis—with a secondary focus on reactivity insertion accident (RIA) analysis—to address operational challenges in the nuclear energy industry. Under the Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, these capabilities are being extended to a broader range of transient analyses with the goal of quantifying the risk of fuel failures such as FFRD. To properly model such conditions with VERA, decay heat calculations have been integrated with the multiphysics to enable rod-by-rod thermal hydraulic (TH) conditions to be driven by the decay heat in long-running accidents such as LOCAs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

On-the-Fly Energy Condensation for Whole-Core Multiphysics Simulations

As the nuclear energy industry considers ways to achieve improved economics in the current fleet of light-water reactors (LWRs), one possible approach is to operate each cycle longer. This causes a greater portion of the fuel to be burned and reduces the frequency of outages, which ultimately reduces the cost to operate the reactor. However, this also leads to higher burnup fuels than have traditionally been allowed in these reactors. There are concerns about integrity of high-burnup (HBu) fuel, especially during accident conditions such as loss-of-coolant accidents (LOCAs), as shown by Capps et al. To investigate these concerns, advanced modeling and simulation capabilities are under development to determine the susceptibility of HBu fuel to fuel fragmentation, relocation, and dispersion (FFRD). Improvements have previously been made to fuel performance capabilities to model these phenomena more accurately; multiphysics simulations have also been conducted to determine the power and burnup histories of the HBu fuel, which are needed as inputs to the fuel performance calculations. Most recently, new statistical approaches have been developed to identify a subset of fuel rods that have greater FFRD susceptibility, reducing the total number of fuel performance simulations required.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Variable Laser Ignition Pathways in Al/Pt Reactive Multilayers across 10 Decades of Pulse Duration

Pulsed laser irradiation is used to investigate the local initiation of rapid, self-propagating formation reactions in Al/Pt multilayers. The single pulse direct laser ignition of these 1.6 μm thick freestanding foils was characterized over 10 decades of pulse duration (10 ms to 150 fs). Finite element, reactive heat transport modeling of the near-threshold conditions has identified three distinct ignition pathways. For milli- to microsecond pulses, ignition occurs following sufficient absorption of laser energy to enable diffusion of Al and Pt between layers such that the heat released from the corresponding exothermic reaction overcomes conductive losses outside the laser-irradiated zone. When pulse duration is decreased into the nanosecond regime, heat is concentrated near the surface such that the Al locally melts, and a portion of the top-most bilayers react initially. The favorable kinetics and additional heat enable ignition. Further reducing pulse duration to hundreds of femtoseconds leads to a third ignition pathway. In this work, while much of the energy from these pulses is lost to ablation, the remaining heat beneath the crater can be sufficiently concentrated to drive a transverse self-propagating reaction, wherein the heat released from mixing at each interface occurs under kinetic conditions capable of igniting the subsequent layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Phase-field model of precipitation processes with coherency loss

A phase-field model is proposed to simulate coherency loss coupled with microstructure evolution. A special field variable is employed to describe the degree of coherency loss of each particle and its evolution is governed by a Ginzburg-Landau type kinetic equation. For the sake of computational efficiency, a flood-fill algorithm is introduced that can drastically reduce the required number of field variables, which allows the model to efficiently simulate a large number of particles sufficient for characterizing their statistical features during Ostwald ripening. The model can incorporate size dependence of coherency loss, metastability of coherent particles, and effectively incorporate the underlying mechanisms of coherency loss by introducing a so-called differential energy criterion. The model is applied to simulate coarsening of Al 3 Sc precipitates in aluminum alloy and comprehensively compared with experiments. Our results clearly show how the particle size distribution is changed during coherency loss and affects the coarsening rate.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Compatibility of FeCrAlMo in Flowing Pb-Li at 600°C to 700°C

A series of monometallic thermal convection loops (TCLs) has been conducted to determine the maximum temperature where FeCrAl alloys have compatibility with eutectic lead lithium (Pb-Li) for a dual-coolant fusion blanket. Pre-oxidizing commercial alloy APMT (Fe-21Cr-5Al-3Mo) for 2 h at 1000°C to form a surface α-Al 2 O 3 layer was very effective in reducing the mass loss of specimens in the hot and cold legs of the most recent TCL that was operated for 1000 h with a peak temperature of 700°C. However, unlike previous experiments, the postexposure room temperature ductility of many of the APMT specimens was degraded to <10% total elongation, and many of the specimens at the highest temperature (>680°C) were severely damaged or were not recovered. Furthermore, wide-angle X-ray scattering found that the pre-formed α-Al 2 O 3 scale transformed to a mixture of trigonal and tetragonal LiAlO 2 . The overall results suggest that the maximum temperature for FeCrAl is limited to <700°C.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Quartet-based inference is statistically consistent under the unified duplication-loss-coalescence model

Abstract Motivation The classic multispecies coalescent (MSC) model provides the means for theoretical justification of incomplete lineage sorting-aware species tree inference methods. This has motivated an extensive body of work on phylogenetic methods that are statistically consistent under MSC. One such particularly popular method is ASTRAL, a quartet-based species tree inference method. Novel studies suggest that ASTRAL also performs well when given multi-locus gene trees in simulation studies. Further, Legried et al. recently demonstrated that ASTRAL is statistically consistent under the gene duplication and loss model (GDL). GDL is prevalent in evolutionary histories and is the first core process in the powerful duplication-loss-coalescence evolutionary model (DLCoal) by Rasmussen and Kellis. Results In this work, we prove that ASTRAL is statistically consistent under the general DLCoal model. Therefore, our result supports the empirical evidence from the simulation-based studies. More broadly, we prove that the quartet-based inference approach is statistically consistent under DLCoal. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Chemical Analysis of Tantalum Thin Films compared to Niobium Thin Films using SIMS and XPS

Superconducting qubits are a leading platform for quantum computation. These circuits are typically made from superconducting materials like aluminum or niobium. However, the amorphous niobium oxide and aluminum oxide on the surface of these circuits introduce considerable RF loss due to the presence of two-level systems (TLS), which limits the maximum coherence times T1 to ~100 μs. Capping the niobium qubits with a tantalum layer leads to a 3- 5x improvement [Bal et al., 2024]. But even in this case, tantalum forms an amorphous surface oxide that introduces loss. In an effort to devise strategies to eliminate the presence of this oxide, we present a comprehensive study on the nature of Ta oxide using x-ray photoemission spectroscopy (XPS) and secondary ion mass spectrometry (ToF-SIMS) as a function of heat treatment. The thin films were annealed in ultra-high vacuum conditions and analyzed in situ to characterize the composition and evolution of the native tantalum oxide layer and oxide-metal interface. Our analysis reveals two critical differences between tantalum and niobium oxides: Nb2O5 completely dissolves at 400°C, while Ta2O5 persists even at 800°C. Additionally, tantalum oxide contains only a single suboxide (TaO), in contrast to niobium's two suboxides (NbO and NbO2). The suboxide of tantalum contributes minimally to the total oxide content and shows a relative increase with temperature. Understanding the oxide’s behavior will open new pathways for optimizing coherence times in tantalum qubits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Energetic particle loss mechanisms in reactor-scale equilibria close to quasisymmetry

Abstract Collisionless physics primarily determines the transport of fusion-born alpha particles in 3D equilibria. Several transport mechanisms have been implicated in stellarator configurations, including stochastic diffusion due to class transitions, ripple trapping, and banana drift-convective orbits. Given the guiding center dynamics in a set of six quasihelical and quasiaxisymmetric equilibria, we perform a classification of trapping states and transport mechanisms. In addition to banana drift convection and ripple transport, we observe substantial non-conservation of the parallel adiabatic invariant which can cause losses through diffusive banana tip motion. Furthermore, many lost trajectories undergo transitions between trapping classes on longer time scales, either with periodic or irregular behavior. We discuss possible optimization strategies for each of the relevant transport mechanisms. We perform a comparison between fast ion losses and metrics for the prevalence of mechanisms such as banana-drift convection (Velasco et al 2021 Nucl. Fusion 61 116059), transitioning orbits, and wide orbit widths. Quasihelical configurations are found to have natural protection against ripple-trapping and diffusive banana tip motion leading to a reduction in prompt losses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Editorial: Transcriptional and epigenetic landscapes of abiotic stress response in plants

In nature, plants constantly face various biotic and abiotic stresses that impact their growth, development, and productivity. Among these, abiotic stresses often have a more severe impact than biotic stresses. For instance, drought has been reported to cause greater yield losses than the combined impact of all plant pathogens (Gupta et al., 2020). Abiotic stresses are the immediate outcome of climate change, and the magnitude of these stresses has gradually increased every year with the rise in global temperatures. Thus, it has become imperative to study the impact of these stresses on plants and how plants respond to them at different levels to show resilient traits. This includes analysing the plants at morpho-physiological, biochemical, and molecular levels. Researchers often compare stressed plants to control (non-stressed) plants or evaluate contrasting genotypes, such as tolerant and sensitive lines, to elucidate the mechanisms underlying stress responses. While these studies have provided some insights, a comprehensive understanding of the intricate mechanisms governing plant responses to abiotic stress remains largely unknown. Recent advances in next-generation tools and technologies have enabled researchers to dissect the molecular basis of plant stress responses at genomic, transcriptomic, proteomic, metabolomic, epigenetic and epigenomic levels. Among these, knowledge of the transcriptional/epigenomic landscape of the trait-associated variations is limited. Given the importance of transcriptional changes and histone modifications in abiotic stress responses, this Research Topic was edited to collage the knowledge available on transcriptional and epigenetic landscapes of abiotic stress response in plants. The Research Topic features eight original research articles and one review, covering various aspects of transcriptome and epigenetic reprogramming in plants during abiotic stresses. Four of the research articles employ transcriptomics integrated with other omics approaches to explore transcriptome reprogramming, candidate gene identification, and the role of long non-coding RNA during different stresses. Two articles focus on the functional characterization of specific candidate genes involved in stress response, while another provides a genome-wide analysis of a stress-responsive gene family. Additionally, one study investigates genome-wide histone modifications, specifically H3K4me3 and H3K27me3, in response to abiotic stresses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Field-Effect Passivation by Desired Charge Injection into SiNx Passivation in Crystalline-Silicon Solar Cells

Effective surface passivation is a necessity for high efficiency crystalline silicon solar cells. The field effect passivation of p-type surfaces is typically accomplished using aluminum oxide (Al 2 O 3 ) which contains a high density of negative fixed charges. The accumulation layer formed by the negative charges prevents surface recombination loss of photo-generated carriers by repelling minority carriers (electrons) from the surface with interface state recombination centers. However, the Al 2 O 3 surface passivation technology has two key concerns of cost and safety associated with the precursor material tri-methyl-aluminum (TMA).

14 SOLAR ENERGY↗