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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Role of structural defects in mediating disordering processes at irradiated epitaxial Fe 3 O 4 / Cr 2 O 3 interfaces

Disordering processes in oxide materials are complicated by the presence of interfaces, which can serve as either point defect sinks or accumulation sites; the response depends on factors such as interfacial structure, chemistry, and termination. Here, we have characterized the disordering of epitaxial Fe 3 O 4 (111) / Cr 2 O 3 (0001) thin film heterostructures after 400 keV Ar 2+ radiation at room temperature. The density of misfit dislocations in both the Fe 3 O 4 overlayer and Cr 2 O 3 buffer layer is varied by changing the thickness of Cr 2 O 3 to be pseudomorphically strained to the Al 2 O 3 (0001) substrate (5 nm thick) or partially relaxed (20 nm thick), as confirmed by Bragg filtering analysis of scanning transmission electron microscopy images. In both cases, irradiation leads to damage accumulation on the Fe 3 O 4 side of the heterointerface, as shown by Rutherford backscattering spectrometry measurements in the channeling geometry. However, the interface with more misfit dislocations exhibits disordering at a faster rate than the less-defective interface. Likewise, layer-resolved electron energy loss spectroscopy reveals interfacial reduction of Fe after irradiation at the more defective interface. Intermixing of Cr across the interface is observed by atom probe tomography, which is likely facilitated by the generation of Cr interstitials in Cr 2 O 3 under irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Interfacial magnetic characteristics of nearly compensated gadolinium iron garnet

Reports on spin Hall magnetoresistance, magnonic spin currents from thermal gradients, and spin transfertorque magnetic random-access memory using compensated ferrimagnets largely discuss bulk magnetization but lack consideration of depth profiles or interfacial characteristics. Here, magnetic and structural characterization of profiles and interfaces was performed for nearly compensated gadolinium iron garnet (GdIG) thin films. X-ray diffraction and reciprocal space maps show that sputter deposited GdIG on Si is polycrystalline with the desired cubic garnet phase, and GdIG on gadolinium gallium garnet (GGG) is epitaxial with <0.06% compressive strain. Temperature-dependent magnetometry confirms the compensation temperatures of GGG/GdIG and Si/GdIG to be 285 and 260 K, respectively, both near room temperature. Interestingly, these measurements suggest the presence of unsaturated rare-earth moments, which result in a characteristic hysteresis between heating and cooling sequences in the magnetization-temperature curves at zero field. Depth-profile measurements from polarized neutron reflectometry (PNR) indicate up to 91% volume fraction in GdIG on Si. At the interface, PNR reveals a region containing magnetized Fe-doped GGG, a low-density GdIG at the GGG/GdIG interface, and a thin magnetically dead layer at the Si/GdIG interface. Cross-sectional transmission electron microscopy and energy dispersive x-ray spectroscopy confirm the assessment of PNR. In conclusion, the magnetic characteristics of interfacial regions are attributed to intermixing of Fe-Ga at the GGG/GdIG interface and the presence of amorphous Fe-Si at the Si/GdIG interface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structural phase diagram for Sm-substituted BiFeO 3 multiferroics

The structural evolution of Sm substituted BiFe⁢O 3 is studied by total x-ray scattering and structure modeling. It is shown that the crystal structure changes from polar to antipolar and then to nonpolar when the Sm to Bi ratio in the material approaches 20% and 40%, respectively, with no intermixing between the structure types. The evolution is driven by lattice strain induced by the difference in the size of Sm and Bi atoms, leading to changes in the pattern of octahedral tilts and Bi off-centering, which, in turn, induce changes in the multiferroic properties. Furthermore, the substitution ratio at which the different structure types emerge appears to be tied up with the average radius of the atomic species occupying the Bi sites in the perovskite lattice and volume occupied by a formula unit, rendering both quantities useful predictor variables for guiding computational searches for substituted BiFe⁢O 3 multiferroics with improved functional properties.

Ferroelectricity↗
DOE OSTI2020

Effect of Air Plasma Sprayed Flash Bond Coatings on Furnace Cycle Lifetime of Disks and Rods

Air plasma sprayed (APS) flash coatings on high velocity oxygen fuel (HVOF) bond coatings are well known to extend the lifetime of thermal barrier coatings (TBCs). Recent work compared flash coatings of NiCoCrAlY and NiCoCrAlYHfSi applied to both rods and disk substrates of alloy 247. For rod specimens, 100 h cycles were used at 1100 °C in wet air. Both flash coatings significantly improved the lifetime compared to HVOF-only and vacuum plasma spray (VPS)-only MCrAlY bond coatings with no statistical difference between the two flash coatings. For disk specimens tested in 1 h cycles at 1100 °C in wet air, the NiCoCrAlY flash coating significantly outperformed an HVOF-only NiCoCrAlYHfSi bond coating and a NiCoCrAlYHfSi flash coating. The flash coatings formed a mixed oxide-metal zone that appeared to inhibit crack formation and therefore extend lifetime. In addition to the flash coating increasing the bond coating roughness, the underlying HVOF layer acted as a source of Al for this intermixed zone and prevented the oxide from penetrating deeper into the bond coating. Here, the lower Y+Hf content in the Y-only flash coating appeared to minimize oxidation in the flash layer, thereby increasing the benefit compared to a NiCoCrAlYHfSi flash coating.

42 ENGINEERING↗
DOE OSTI2021

Heterovalent semiconductor structures and devices grown by molecular beam epitaxy

Heterovalent structures consisting of group II-VI/group III-V compound semiconductors offer attractive properties, such as a very broad range of bandgaps, large conduction band offsets, high electron and hole mobilities, and quantum-material properties such as electric-field-induced topological insulator states. These properties and characteristics are highly desirable for many electronic and optoelectronic devices as well as potential condensed-matter quantum-physics applications. Here, we provide an overview of our recent studies of the MBE growth and characterization of zincblende II-VI/III-V heterostructures as well as several novel device applications based on different sets of these materials. By combining materials with small lattice mismatch, such as ZnTe/GaSb (Δa/a~0.13%), CdTe/InSb (Δa/a~0.05%), and ZnSe/GaAs (Δa/a~0.26%), epitaxial films of excellent crystallinity were grown once the growth conditions had been optimized. Cross-sectional observations using conventional and atomic-resolution electron microscopy revealed coherent interfaces and close to defect-free heterostructures. Measurements across CdTe/InSb interfaces indicated a limited amount (~1.5 nm) of chemical intermixing. Results for ZnTe/GaSb distributed Bragg reflectors, CdTe/Mg x Cd 1-x Te double heterostructures, and CdTe/InSb two-color photodetectors are briefly presented, and the growth of a rock salt/zincblende PbTe/CdTe/InSb heterostructure is also described.

Materials Science↗
DOE OSTI2024

Temperature-induced degradation of GaN HEMT: An in situ heating study

High-power electronics, such as GaN high electron mobility transistors (HEMTs), are expected to perform reliably in high-temperature conditions. This study aims to gain an understanding of the microscopic origin of both material and device vulnerabilities to high temperatures by real-time monitoring of the onset of structural degradation under varying temperature conditions. This is achieved by operating GaN HEMT devices in situ inside a transmission electron microscope (TEM). Electron-transparent specimens are prepared from a bulk device and heated up to 800 °C. High-resolution TEM (HRTEM), scanning TEM (STEM), energy-dispersive x-ray spectroscopy (EDS), and geometric phase analysis (GPA) are performed to evaluate crystal quality, material diffusion, and strain propagation in the sample before and after heating. Gate contact area reduction is visible from 470 °C accompanied by Ni/Au intermixing near the gate/AlGaN interface. Elevated temperatures induce significant out-of-plane lattice expansion at the SiNx/GaN/AlGaN interface, as revealed by geometry-phase GPA strain maps, while in-plane strains remain relatively consistent. Exposure to temperatures exceeding 500 °C leads to almost two orders of magnitude increase in leakage current in bulk devices in this study, which complements the results from our TEM experiment. The findings of this study offer real-time visual insights into identifying the initial location of degradation and highlight the impact of temperature on the bulk device’s structure, electrical properties, and material degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Sequential Electrochemical Flow Cell for Complex Multicomponent Electrocatalysis

A highly efficient flow cell for sequential electrolysis containing two complete electrochemical cells, capable of generating reactive species at the upstream working electrode and transporting them to the downstream working electrode, is demonstrated. Deconvolution of the intermixed electrode circuits is accomplished through analysis of the inherent resistance of the electrolyte, which allows for precise and independent control of the electrochemical potential at each electrode without altering concentrations of supporting or background electrolyte species. Sequential electrolysis involving oxidation of hydrogen and reduction of the generated protons downstream is demonstrated at nearly 100% efficiency on Pt-decorated dealloyed porous Nb catalysts. The conversion efficiency of the catalysts is discussed in terms of their geometries and active surface composition, elucidating strategies for use of sequential electrolysis cells for fundamental and applied studies.

25 ENERGY STORAGE↗
DOE OSTI2024

Bacterial community dynamics as a result of growth-yield trade-off and multispecies metabolic interactions toward understanding the gut biofilm niche

Abstract Bacterial communities are ubiquitous, found in natural ecosystems, such as soil, and within living organisms, like the human microbiome. The dynamics of these communities in diverse environments depend on factors such as spatial features of the microbial niche, biochemical kinetics, and interactions among bacteria. Moreover, in many systems, bacterial communities are influenced by multiple physical mechanisms, such as mass transport and detachment forces. One example is gut mucosal communities, where dense, closely packed communities develop under the concurrent influence of nutrient transport from the lumen and fluid-mediated detachment of bacteria. In this study, we model a mucosal niche through a coupled agent-based and finite-volume modeling approach. This methodology enables us to model bacterial interactions affected by nutrient release from various sources while adjusting individual bacterial kinetics. We explored how the dispersion and abundance of bacteria are influenced by biochemical kinetics in different types of metabolic interactions, with a particular focus on the trade-off between growth rate and yield. Our findings demonstrate that in competitive scenarios, higher growth rates result in a larger share of the niche space. In contrast, growth yield plays a critical role in neutralism, commensalism, and mutualism interactions. When bacteria are introduced sequentially, they cause distinct spatiotemporal effects, such as deeper niche colonization in commensalism and mutualism scenarios driven by species intermixing effects, which are enhanced by high growth yields. Moreover, sub-ecosystem interactions dictate the dynamics of three-species communities, sometimes yielding unexpected outcomes. Competitive, fast-growing bacteria demonstrate robust colonization abilities, yet they face challenges in displacing established mutualistic systems. Bacteria that develop a cooperative relationship with existing species typically obtain niche residence, regardless of their growth rates, although higher growth yields significantly enhance their abundance. Our results underscore the importance of bacterial niche dynamics in shaping community properties and succession, highlighting a new approach to manipulating microbial systems.

Microbiology↗
DOE OSTI2026

Programmable Phase Selection between Altermagnetic and Noncentrosymmetric Polymorphs of MnTe on InP via Molecular Beam Epitaxy

This dataset contains DFT input and output files supporting the theoretical modeling in the associated publication (ACS Appl. Mater. Interfaces 2026, 18, 15654-15664). The calculations model the interfacial energetics of two MnTe polymorphs — NiAs-MnTe (hexagonal, alpha phase) and ZnS-MnTe (cubic, gamma phase) — on InP(111) substrates with two surface terminations: In-terminated InP(111)A and P-terminated InP(111)B. This gives four interface configurations: NiAs on In-terminated (experimentally observed), NiAs on P-terminated (computed for comparison), ZnS on In-terminated (computed for comparison), and ZnS on P-terminated (experimentally observed). The dataset is organized into four calculation types, each covering all four polymorph/termination combinations: (i) Slabs: Pristine MnTe/InP heterostructure slabs used to compute total energies and interface energy densities (Eint) for all four configurations, as reported in Fig. 6 of the main text. (ii) Disorder: Same slab geometries with a P_Te + Te_P antisite defect pair introduced near the interface, used to assess chemical intermixing effects on interface stability (Fig. S8, SI). (iii) Strain: Pristine slab calculations with in-plane lattice parameters strained by -1% and +1% relative to the InP lattice constant, used to evaluate strain-dependent interface energetics (Fig. S9, SI). (iv) Charge_Density: Single-point calculations on the full heterostructure, the isolated InP slab, and the isolated MnTe slab at fixed geometry, used to compute differential charge density plots showing interfacial charge accumulation and depletion as a function of surface termination (Fig. S10, SI). Each calculation folder contains INCAR, KPOINTS, POSCAR, CONTCAR, OUTCAR, and POTCAR_info.txt (PAW potential information, excluding the full POTCAR due to VASP licensing restrictions). The calculations were performed using VASP 6.4.3 with PBE exchange-correlation, PAW potentials, a Hubbard correction of Ueff = 5 eV on Mn d-states, and A-type AFM spin initialization.

36 MATERIALS SCIENCE↗
DOE OSTI2021

AmeriFlux US-BRG Bayles Road Grassland Tower

This is the AmeriFlux version of the carbon flux data for the site US-BRG Bayles Road Grassland Tower. Site Description - The Bayles Road grassland tower is situated in an experimental field incorporated within the Indiana University Research and Teaching Preserve. The field was historically covered by bottomland hardwood forest and later maintained for plant genetics studies. Intermixed species of grasses, sedges, and forbs are currently maintained with occasional mowing.

Novick, Kimberly↗
DOE OSTI2023

AmeriFlux FLUXNET-1F US-Bar Bartlett Experimental Forest

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Bar Bartlett Experimental Forest. This is the FLUXNET version of the carbon flux data for the site US-Bar Bartlett Experimental Forest produced by applying the standard ONEFlux (1F) software. Site Description - The Bartlett Experimental Forest (448170 N, 71830 W) is located within the White Mountains National Forest in north-central New Hampshire, USA. The 1050 ha forest extends across an elevational range from 200 to 900 m a.s.l. It was established in 1931 and is managed by the USDA Forest Service Northeastern Research Station in Durham, NH. The climate is humid continental with short, cool summers (mean July temperature, 19.8C) and long, cold winters (mean January temperature, 9.8C). Annual precipitation averages 130 cm and is distributed evenly throughout the year. Soils are developed from glacial till and are predominantly shallow, well-drained spodosols. At lowto mid-elevation, vegetation is dominated by northern hardwoods (American beech, Fagus grandifolia; sugar maple, Acer saccharum; yellow birch, Betula alleghaniensis; with some red maple, Acer rubrum and paper birch, Betula papyrifera). Conifers (eastern hemlock, Tsuga canadensis; eastern white pine, Pinus strobus; red spruce, Picea rubens) are occasionally found intermixed with the more abundant deciduous species but are generally confined to the highest (red spruce) and lowest (hemlock and pine) elevations. In 2003, the site was adopted as a NASA North American Carbon Program (NACP) Tier-2 field research and validation site. A 26.5 m high tower was installed in a low-elevation northern hardwood stand in November, 2003, for the purpose of making eddy covariance measurements of the forest–atmosphere exchange of CO2, H2O and radiant energy. Continuous flux and meteorological measurements began in January, 2004, and are ongoing. Average canopy height in the vicinity of the tower is approximately 20–22 m. In the tower footprint, the forest is predominantly classified into red maple, sugar maple, and American beech forest types. Leaf area index in the vicinity of the tower is 3.6 as measured by seasonal litterfall collection, and 4.5 as measured by the optically based Li-Cor LAI-2000 instrument. Further site information: http://www.fs.fed.us/ne/durham/4155/bartlett.htm

Richardson, Andrew↗
DOE OSTI2023

AmeriFlux FLUXNET-1F US-BRG Bayles Road Grassland Tower

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-BRG Bayles Road Grassland Tower. This is the FLUXNET version of the carbon flux data for the site US-BRG Bayles Road Grassland Tower produced by applying the standard ONEFlux (1F) software. Site Description - The Bayles Road grassland tower is situated in an experimental field incorporated within the Indiana University Research and Teaching Preserve. The field was historically covered by bottomland hardwood forest and later maintained for plant genetics studies. Intermixed species of grasses, sedges, and forbs are currently maintained with occasional mowing.

Novick, Kimberly↗
DOE OSTI2026

AmeriFlux FLUXNET-1F CA-SF3 Saskatchewan - Western Boreal, forest burned in 1998

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site CA-SF3 Saskatchewan - Western Boreal, forest burned in 1998. This is the FLUXNET version of the carbon flux data for the site CA-SF3 Saskatchewan - Western Boreal, forest burned in 1998 produced by applying the standard ONEFlux (1F) software. Site Description - The 1998 burn site (F98) was in the east part of Prince Albert National Park, Saskatchewan, in the Waskesiu Fire, ignited by lightning that burned about 1700 ha in July 1998. The pre-fire forest consisted of jack pine and black spruce stands, with some intermixed aspen. The fire was severe, consuming much of the top layer of organic soil and killing all trees. In 2001, much of the regenerating vegetation consisted of aspen saplings about 1 m tall and shorter jack pine and black spruce seedlings. An overstory of dead, leafless jack pine trees dominated at a height of 18 m. Sparse grass and herbs, such as fireweed (Epilobium angustifolium L.) covered the ground. There were a large number of fallen dead trees, mostly perched above the ground and not decomposing quickly.

Amiro, Brian [University of Manitoba; Canadian For↗
DOE OSTI2021

Growth and Development of Quantum Materials

Topological insulators (TIs) display a new state of quantum matter, which is broadly known as quantum materials. The TIs have a unique property of being an insulator as a bulk property and having conducting surface states, which are symmetry-protected Dirac Fermions and well isolated from the bulk valence and conduction bands. Ideally, these topological surface states and bulk electronic states should act independently. The degree to which they intermix depends on the crystalline quality, composition and defects present in the material. These materials thus demand very high-quality crystals to observe the desired quantum properties. We proposed growth of high-quality single crystals and thin films to enhance the ability to fabricate devices with unique performance attributes. Two separate approaches will be made to make the thin films, one is exfoliation of 2D monolayer from the grown single crystals and the second is thin films grown by pulsed laser deposition. Both techniques will subsequently allow for fabrication of meso structures using a Focused Ion Beam technique.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Shallow-and-Deep Inelastic Scattering with Neutrinos

In ν/ν-Nucleon/Nucleus interactions Shallow Inelastic Scattering (SIS) is technically defined interms of the four-momentum transfer to the hadronic system as non-resonant meson productionwith predominantly lower Q 2 . This non-resonant meson production intermixes with resonantmeson production in a regime of similar effective hadronic mass W of the interaction. As Q 2 grows non-resonant interactions begin to take place with quarks within the nucleon indicating thestart of Deep Inelastic Scattering (DIS). To essentially separate this resonant plus non-resonantmeson production from DIS quark-fragmented meson production, a cut of 2 GeV in W of theinteractions is generally introduced. However, since experimentally mesons from resonance decaycannot be separated from non-resonant produced mesons, SIS for all practical purposes is definedas inclusive meson production that includes non-resonant plus resonant meson production andthe interference between them. NOTE, this is a mildly modified introduction and overview takenfrom the detailed summary of this topic referenced in the introduction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Application of Ionic Liquids for the Recycling and Recovery of Technologically Critical and Valuable Metals

Population growth has led to an increased demand for raw minerals and energy resources; however, their supply cannot easily be provided in the same proportions. Modern technologies contain materials that are becoming more finely intermixed because of the broadening palette of elements used, and this outcome creates certain limitations for recycling. The recovery and separation of individual elements, critical materials and valuable metals from complex systems requires complex energy-consuming solutions with many hazardous chemicals used. Significant pressure is brought to bear on the improvement of separation and recycling approaches by the need to balance sustainability, efficiency, and environmental impacts. Due to the increase in environmental consciousness in chemical research and industry, the challenge for a sustainable environment calls for clean procedures that avoid the use of harmful organic solvents. Ionic liquids, also known as molten salts and future solvents, are endowed with unique features that have already had a promising impact on cutting-edge science and technologies. This review aims to address the current challenges associated with the energy-efficient design, recovery, recycling, and separation of valuable metals employing ionic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Probing the Critical Element Chemistry of Coal-Combustion Fly Ash: Examination of Zircon and Associated Minerals from a Beneficiated Kentucky Fly Ash

Along with the principal rare earth (REE) minerals such as monazite, xenotime, and bastnasite, Y-and REE-bearing zircon and associated minerals survive the combustion process and are found in coal-combustion fly ash. Beneficiated fly ash from a power plant burning an eastern-Kentucky-sourced coal blend was found to have zircon (ZrSiO4), baddeleyite (ZrO2), fergusonite (YNbO4), yttriaite (Y2O3), and xenotime (YPO4). Previous studies of the same fly had also identified monazite with a broad REE suite. Scanning electron microscopy–electron dispersive spectroscopy (EDS) and transmission electron microscopy (TEM)–EDS as well as other TEM-based techniques revealed a variety of zircon associations, including heavy-REE suites with Y, Nb, and Hf. Hafnium is a common accessory element in zircons and the Y and Nb may be present as fergusonite (YNbO4) intermixed with zircon.

Berti, Debora (ORCID:0000000311237794)↗
DOE OSTI2020

An Experimental Investigation of Multilayer Flow in a Slide Die Coating Process

Roll-to-roll coating technology has been actively applied not only for conventional film production but also for emerging energy devices such as organic solar cells, organic light emitting diodes, batteries, smart windows, and fuel cells. The devices are multilayer structures requiring several coating and drying steps when implemented in a serial fashion, which increases capital costs and energy consumption. Simultaneous multilayer (ML) coating technologies present an opportunity for cost reductions and improved process efficiency by reducing equipment footprint and the number of process steps. In this talk, we experimentally investigate ML slide die coating flow for the manufacturing of fuel cell membrane electrode assemblies (MEAs). For ML slide coating, understanding fluid properties such as density, surface tension, and viscosity are necessary for stable flows and limiting intermixing of the miscible layers. Here, we utilize a design-of-experiment methodology - Box-Behnken design (BBD) - to correlate ink formulation parameters to fluid properties. Using the ink properties obtained from the BBD, we performed numerical flow simulations to obtain a proper process conditions to guide experimental coating trials. Finally, experimental verification is performed on a ML slide die and a degree of miscibility was observed for various ink formulation conditions.

28 EE - Advanced Manufacturing Office (EE-5A)↗