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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Chloride and Hydride Transfer as Keys to Catalytic Upcycling of Polyethylene into Liquid Alkanes

Abstract Transforming polyolefin waste into liquid alkanes through tandem cracking‐alkylation reactions catalyzed by Lewis‐acid chlorides offers an efficient route for single‐step plastic upcycling. Lewis acids in dichloromethane establish a polar environment that stabilizes carbenium ion intermediates and catalyzes hydride transfer, enabling breaking of polyethylene C−C bonds and forming C−C bonds in alkylation. Here, we show that efficient and selective deconstruction of low‐density polyethylene (LDPE) to liquid alkanes is achieved with anhydrous aluminum chloride (AlCl 3 ) and gallium chloride (GaCl 3 ). Already at 60 °C, complete LDPE conversion was achieved, while maintaining the selectivity for gasoline‐range liquid alkanes over 70 %. AlCl 3 showed an exceptional conversion rate of 5000 , surpassing other Lewis acid catalysts by two orders of magnitude. Through kinetic and mechanistic studies, we show that the rates of LDPE conversion do not correlate directly with the intrinsic strength of the Lewis acids or steric constraints that may limit the polymer to access the Lewis acid sites. Instead, the rates for the tandem processes of cracking and alkylation are primarily governed by the rates of initiation of carbenium ions and the subsequent intermolecular hydride transfer. Both jointly control the relative rates of cracking and alkylation, thereby determining the overall conversion and selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Demonstration of GaAs-Based Photovoltaics on Acoustically Spalled Surfaces Grown by MOCVD

This study demonstrates the potential of sonic lift-off (SLO) technology for repeatable substrate reuse in gallium arsenide (GaAs)–based photovoltaics (PVs), offering a pathway toward cost effective production for terrestrial PV applications. Single-junction GaAs solar cells fabricated on acoustically spalled substrates achieved performance metrics comparable with those grown on standard commercial substrates, exhibiting short-circuit current densities (J sc ) of approximately 26.2–26.4 mA/cm 2 , open-circuit voltages (V oc ) around 1001 mV, fill factors (FFs) of 84%, and AM1.5G efficiencies near 22%. These results confirm that one reuse cycle can be realized without a performance penalty, offering a direct pathway to reducing substrate cost in fabrication. Furthermore, subsequent reuse of the substrates highlighted critical challenges, as devices fabricated from reused substrates showed significant degradation in performance (J sc of 15.5 mA/cm 2 , V oc of 748 mV, FF of 72%, and efficiency of 8%), primarily due to degradation of the epitaxial structure resulting from repeated spalling cycles.

Acoustic Spalling↗
DOE OSTI2023

Quantum Enhanced Probes of Magnetic Circular Dichroism

Magneto-optical microscopies, including optical measurements of magnetic circular dichroism, are increasingly ubiquitous tools for probing spin-orbit coupling, charge-carrier g-factors, and chiral excitations in matter, but the minimum detectable signal in classical magnetic circular dichroism measurements is fundamentally limited by the shot-noise limit of the optical readout field. Here, a two-mode squeezed light source is used to improve the minimum detectable signal in magnetic circular dichroism measurements by 3 decibels compared with state-of-the-art classical measurements, even with relatively lossy samples like terbium gallium garnet. Furthermore, these results provide a framework for new quantum-enhanced magneto-optical microscopies that are particularly critical for environmentally sensitive materials and for low temperature measurements where increased optical power can introduce unacceptable thermal perturbations.

42 ENGINEERING↗
DOE OSTI2022

Quantitative XPS of plutonium: Evaluation of the Pu4f peak shape, relative sensitivity factors and estimated detection limits

We report that high-resolution X-ray photoelectron spectra have been acquired from sputter cleaned and in situ oxidized samples of α-plutonium and a face-centred cubic δ-plutonium–gallium alloy. The differences in the Pu4f peak shape in these two materials have been investigated, and the poorly screened satellite peaks have been quantified. Curve fitting parameters for the Pu4p 3/2 , Pu4d 5/2 , Pu4f and Pu6p 3/2 photoelectron peaks are reported, and relative sensitivity factors have been determined. The Pu4f curve fit model has been applied to data acquired using different spectrometers and alloys. Examples of quantification of the plutonium spectra are provided and minimum detection limits are calculated for common impurities in plutonium metal.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spectral Effects on the Energy Harvesting Efficiency of Two- and Four-Terminal Tandem Photovoltaics

In this work, the effect of a varying spectral irradiance and top cell bandgap on the energy harvesting efficiency of two-terminal (2T) and four-terminal (4T) perovskite//silicon tandem solar cells under outdoor operating conditions is investigated. For the comparison, an optoelectronic model employing a 1 year outdoor data set for a 4T mechanical stacked gallium arsenide (GaAs) on crystalline silicon (Si) tandem device is first validated. Then, the verified model is used to simulate perovskite//silicon tandem devices with a varying perovskite top cell bandgap for a location in Golden, Colorado, USA. Here, a spectral binning method to efficiently reduce and improve the visualization of the 1 min-resolved environmental data while maintaining the simulation accuracy is introduced. The findings reveal that, for a device that is current matched under standard testing conditions, the annual spectral deviation reduces the energy harvesting efficiency by only 2% rel . When additional realistic losses for the 4T are taken into account, 2T devices are shown to have an energy-harvesting efficiency that is at parity or higher. Deviations in the top cell bandgap are more than 0.1 eV from current matching result in a reduced energy harvesting efficiency of more than 5% rel for the 2T tandem device.

14 SOLAR ENERGY↗
DOE OSTI2026

Toward memory-efficient melt pool monitoring: a classification framework using event-based imaging and sparse sensing technique

Vision sensors like CMOS and CCD cameras are often used for in-process monitoring of melt pools in laser-based additive and welding processes, but they require transferring large amounts of data and computational processing resources. Event-based neuromorphic imagery, on the other hand, detects only the change in pixel intensity, thus potentially reducing the data amount and latency. With an event imager, this study develops a framework for melt pool condition classification, including image construction, time scale selection, optimal pixel selection, and sparse classification, to achieve a highly memory-efficient scheme. These are based on sparse sensing techniques with singular value decomposition (SVD) and QR pivoting, the two fundamental matrix transformations for linear dimensionality reduction. The framework is then validated by classifying a controlled experiment by exciting various mode shapes of liquid gallium pools of varying depths (3, 6, and 8 mm). At 200 pixels, the classifier can reach overall accuracy of 75%, while at 2000 pixels (0.013% of the total possible pixels), the accuracy is nearly 90% (89.86%). At the same number of pixels, random selection can only achieve 46% and 67%, respectively. The memory savings of the sparsely sampled event data compared to a conventional imager is about 500 times. In addition to performance, implementation and limitations of the framework are also discussed.

42 ENGINEERING↗
DOE OSTI2023

Nonreciprocal spin-wave propagation in YIG/GGG: a limit on the DMI parameter

Materials with low damping, such as Yttrium Iron Garnet (YIG), are of interest in connection with spintronic devices. A promising structure for information storage is the Skyrmion, a domain wall quasi-particle. It has been shown that the stabilization of a Skyrmion can be energetically favorable with the addition of spin-orbit coupling (SOC) through the Dzyaloshinsky-Moriya Interaction (DMI). This interaction should be largest in metals, but still present in insulators. In order to produce spintronic devices using YIG, we must evaluate the DMI interaction inherent in the substrate used to grow the YIG, which is generally Gadolinium Gallium Garnet (GGG). In this study, we measure nonreciprocal spin wave propagation in a thick YIG film in order to place a limit on the DMI parameter in a YIG/GGG bilayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Corrosion in Other Liquid Metals (Li, PbLi, Hg, Sn, Ga)

A wide range of liquid metals have been considered for application in nuclear fission and fusion reactors. Liquid mercury (Hg) was tested as a coolant and working fluid for nuclear fission reactors and as a neutron source target. Liquid lithium and lead lithium eutectic (Li and PbLi) have been extensively studied for fusion reactor designs including plasma facing components (PFCs). Liquid tin and gallium (Sn and Ga) have recently gained attention as alternative PFCs due to their low vapor pressure and chemical stability. To enable successful application of these less common liquid metals, corrosion compatibility with containment materials needs to be investigated. For this purpose, this article reviews corrosion behavior and structural material compatibility, including ferrous alloys, refractory metals, and ceramics, by liquid Li, PbLi, Sn, Ga, and Hg.

Jun, Jiheon↗
DOE OSTI2022

First principles thermal transport modeling in GaN and related materials

Gallium nitride is a wide bandgap material utilized in a variety of technologies, including high-power electronics and light-emitting diodes, partly due to its favorable thermal properties. This chapter describes modern first-principles-based modeling of phonons and lattice thermal conductivity (k) of GaN, III-nitrides and related materials. In particular, we describe the theoretical underpinnings of calculating phonon dispersions, intrinsic phonon interactions, and other lattice dynamical properties from quantum perturbation theory and density functional theory (DFT) methods. Description of how these methods are then coupled with the Peierls-Boltzmann transport (PBT) equation to determine phonon distributions and lifetimes relevant for thermal transport is given. These theoretical and numerical methods have demonstrated quantitative accuracy and predictive power for calculating pristine k and defect-limited k from first principles for a variety of materials. We present a review of the literature utilizing DFT-PBT methods to understand novel k behaviors in III-nitrides and related materials.

Lindsay, Lucas↗
DOE OSTI2024

Separation of gold from irradiated actinide material utilizing a 2- thenoyltrifluoroacetone extraction resin

Post-detonation nuclear forensics capabilities depend on the ability to rapidly isolate radionuclides to improve measurement quality. In this work an extraction chromatography resin was developed utilizing the extractants thenoyltrifluoroacetone and 1-octanol supported on Eichrom prefilter resin. Here the resin was tested in nitric and hydrochloric acid matrices. In nitric acid matrices the resin is able to extract zirconium, while in hydrochloric acid matrices it is possible to extract iron and gallium. In all acid conditions tested gold is retained but can be removed from the column with a 10% thiourea rinse.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Ultra-high aspect ratio pores milled in diamond via laser, ion and electron beam mediated processes

Microfabrication techniques are critical for the rapid prototyping and development of applications for cutting edge materials. Recently diamond has gained considerable interest for quantum photonic, biosensing, inertial confinement fusion and magnetometer applications. In this article, ultra-high aspect ratio milling of diamond micropores by photon, ion and electron based methods is reported. A multiphoton absorption laser ablation approach is revealed to rapidly produce sub-10 μm diameter micropores in diamond with an aspect ratio of 14:1 and a tapered profile at the surface interface. Chemically active, oxygen focused ion beam milling produces high-aspect ratio pores in diamond with an aspect ratio of 65:1 and minimal tapering over the length of the pore, overcoming the physical interaction volume limitations imposed in conventional gallium based focused ion beam milling and laser ablation methods. Oxygen-mediated electron beam induced etching is revealed to negate the limitations imposed by physical sputtering mechanisms utilized in focused ion beam milling via the direct initiation of chemical reactions at the receding surface, producing aspect ratios on the order of 200:1. Numerical simulations reveal the physical basis for the superior aspect-ratio pore milling of the oxygen focused ion beam milling and electron beam induced etching methods. Our results demonstrate direct-write methods for the fabrication of ultra-high aspect micropores in diamond and provide insight into the underlying mechanisms of these physical processes. The three methods demonstrated here can be interchanged for applications based on the desired characteristic aspect ratio and process throughput.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thermovelocimetric characterization of liquid metal convection in a rotating slender cylinder

Rotating turbulent convection occurs ubiquitously in natural convective systems encompassing planetary cores, oceans and atmospheres, as well as in many industrial applications. While the global heat and mass transfer of water-like rotating Rayleigh–Bénard convection is well-documented, the dynamics in low-Prandtl-number liquid metals remain less understood. In this study, we experimentally investigate rotating Rayleigh-Bénard convection in liquid gallium (Prandtl number Pr ≈ 0.027) within a slender cylinder (diameter-to-height aspect ratio Γ = D/H =1/2) using novel thermovelocimetric diagnostic techniques that integrate simultaneous multi-point thermometry and ultrasonic Doppler velocity measurements. Our results reveal the formation of a stable, global-scale azimuthal wavenumber m = 2 quadrupolar vortex at low supercriticality. We propose that enhanced wall modes facilitated by the slender cylinder geometry interact with the bulk flow to create these large-scale axialized vortices. Furthermore, our findings imply a distinct scaling behavior for the wall-mode precession frequency in liquid metals, extending previous results obtained for moderate-Pr fluids. In conclusion, this provides new insights into wall-bulk coupling mechanisms of low-Pr rotating convective turbulence.

Magnetohydrodynamics↗
DOE OSTI2021

Borderline first-order magnetic phase transition in AlFe 2 B 2

The thermal evolution of lattice parameters coupled with heat capacity data provide insight into tailorable magnetism-structure attributes in the orthorhombic compound AlFe 2 B 2 that was synthesized with and without small additions of gallium. Temperature-dependent X-ray powder diffraction experiments conducted through the magnetic phase transition reveal that the a- and b-parameters of both samples increase with increasing temperature while the c-parameter decreases. While a weak volumetric thermal expansion is noted over a range of temperatures well below and above the magnetic phase transition, anomalous behavior was observed within the phase transition region itself to reveal a magnetostructural phase transition with borderline first-order character in the Ga-modified sample but of more second-order character in the Ga-free sample. It is established that the nearest-neighbor Fe-Fe interatomic distance within the (ab)-plane plays a dominant role in influencing the magneto-functional response of these compounds. The magnetocaloric properties are discussed in the context of temperature-induced changes of the interatomic bonding that are influenced by the hypothesized presence of iron antisite defects in the AlFe 2 B 2 lattice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Compositional screening of Ce-doped (Gd,Lu,Y) 3 (Al,Ga) 5 O 12 ceramics prepared by quenching from melt and their luminescence properties

Quenching from the melt using an Optical Floating Zone furnace was investigated as a possible high-throughput preparation method in order to screen novel scintillating materials. To validate this method, polycrystalline rare-earth aluminum garnets and yttrium gallium aluminum garnets were synthesized and characterized by X-ray diffraction, photoluminescence and radioluminescence emission spectra as well as radioluminescence imaging and compared to the previously reported properties of those materials. In order to achieve rapid, but quantitative comparison of the materials, pellets fabricated from the synthesized powders were sintered; two different sintering conditions were investigated and compared. Therefore, a simplistic energy deposition and light absorption model for brightness of opaque samples under X-ray irradiation was developed to estimate the relative scintillation efficiency of the materials. Based on the results, Y 3 Al 5 O 12 , LuY 2 Al 5 O 12 and GdY 2 Al 5 O 12 seem to have the highest scintillation efficiency among the prepared samples.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High stability of flexible perovskite transparent conductive oxide film via van der Waals heteroepitaxy

Transparent conducting oxides (TCOs), such as indium-tin oxide (ITO) and indium gallium zinc oxide (IGZO), are essential components in the design of flexible optoelectronic devices. However, it is still a challenge to prepare low-cost flexible transparent conductive film for achieving the flexible functionality together with high optical transparency and electrical conductivity. Herein, fluorphlogopite (mica) is selected as the bendable and transparent substrate for the fabrication of low-cost perovskite CaVO 3 TCO epitaxial film. Benefitting from thin mica substrate with high Young’s modulus of 200 GPa, flexible CaVO 3 TCO epitaxial film exhibits high mechanical stability in terms of electrical conductivity and optical transparency after bending up to 10 5 cycles. The change of resistance can reflect the bending curvature and strain state. Finally, our results provide a new pathway to design superior mechanical flexibility and stability CaVO 3 TCO films for application in flexible, light-weight, and portable smart optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Carbon and silicon background impurity control in undoped GaN layers grown with trimethylgallium and triethylgallium via metalorganic chemical vapor deposition

The unintentional impurity incorporation in GaN epitaxial layers impacts the electrical conductivity and optical properties of the films grown by metalorganic chemical vapor deposition (MOCVD). It is critical to control impurity-related states for device structure development. The aim of this work is to contribute to the understanding of the reasons for the presence of certain background impurities. In this paper, the unintentional impurity incorporation of carbon, hydrogen, oxygen, and silicon in undoped (u-) GaN films grown by low-pressure MOCVD were studied. Background impurity concentrations were evaluated by secondary ion mass spectroscopy (SIMS) to optimize growth parameters including V/III ratio, growth temperature (T g ), growth pressure (P g ), and gallium (Ga) precursors of trimethylgallium (TMG) or triethylgallium (TEG). Unintentional [C] and [Si] incorporations are found to be highly dependent on the growth parameters. Further, for the same growth conditions, u-GaN films grown with a TEG precursor exhibited a lower background concentration of C compared to that of GaN grown with TMG. However, the lowest background [C] achieved was grown with TMG using optimized conditions and exhibited [C]<4×10 15 cm -3 which was at the detection limit of the SIMS measurement. These results were measured for a u-GaN layer grown with TMG at 200 Torr, 1030°C, and a V/III of 3700. The lowest background [Si] of 4×10 15 cm -3 was achieved by growing with TMG at 200 Torr, 1000°C, and V/III of 650.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Functional properties of Yttrium Iron Garnett thin films on graphene-coated Gd 3 Ga 5 O 12 for remote epitaxial transfer

Remote epitaxial growth via a graphene interlayer and subsequent mechanical exfoliation of a free-standing membrane is a recently developed technique used to transfer complex oxide thin films onto non-native substrates to form heterogeneously integrated structures for various device applications. One such oxide is Yttrium Iron Garnet (YIG), a material of choice for a wide range of magnetoelectric and spintronic devices owing to its strong magnetic properties and low microwave losses. YIG is predominantly grown on lattice matched Gadolinium Gallium Garnet (GGG) substrates, but by utilizing the remote epitaxy technique, high quality YIG films can be transferred from GGG onto another substrate such as piezoelectric Lithium Niobate (LN). Mechanical strain coupling between the layers and magnetostrictive nature of YIG would allow for the investigation of the interplay in YIG/LN structures leading to the design of novel frequency agile magneto-acoustic devices. In this study functional properties of a YIG film grown using PLD on graphene-coated GGG substrate were investigated and compared to traditional YIG on GGG. Both materials were characterized in terms of crystal structure, surface morphology, FMR and Gilbert damping, and Raman and XAS spectroscopy. Further, it was found that YIG on graphene-coated GGG exhibits significantly higher microwave losses than standard YIG on GGG (FMR linewidth 30.9 vs 2.1 Oe at 10 GHz, and Gilbert damping coefficient 15.4x10 -4 vs 3.4x10 -4 respectively), which was attributed to increased concentration of Fe 2+ cations in YIG/Graphene/GGG. While the damping is higher in these studied films compared to YIG grown directly on GGG, the resulting properties are still very favorable compared to many other competing materials which can be grown without the need for lattice matched substrates, such as metallic ferromagnets.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of atomic ordering and cerium doping on magnetostrictive Fe-Al alloys

Magnetostrictive iron-aluminum alloys can be a low-cost, mechanically stable alternative to iron-gallium and rare earth-iron alloys. The magnetostrictive performance of polycrystalline Fe-Al (alfenol) with 13–24 at. % Al was investigated, studying the role of compositional variation and thermal history. It was found that rapid cooling enhances the magnetostrictive response, and peak magnetostriction was found in Fe 78 Al 22 by high temperature annealing followed by quenching. Synchrotron diffraction enabled a direct correlation of magnetostrictive behavior and the transition from short-range order to long-range ordered cluster domains in the material which can be suppressed by rapid cooling. Following recent success of doping Fe-Ga with rare earth elements, we investigated the influence of Ce doping on improving magnetostriction and found that Fe-Al shows negligible solubility for cerium, inhibiting potential magnetostriction enhancement. In conclusion, our results illustrate the complex interplay between phase stability, ordering, and optimized magnetostrictive response.

36 MATERIALS SCIENCE↗