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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Modelling directional solidification

The long range goal is to develop an improved understanding of phenomena of importance to directional solidification, to enable explanation and prediction of differences in behavior between solidification on Earth and in space. Emphasis during the period of this grant was on experimentally determining the influence of convection and freezing rate fluctuations on compositional homogeneity and crystalline perfection in the vertical Bridgman-Stockbarger technique. Heater temperature profiles, buoyancy-driven convection, and doping inhomogeneties were correlated using naphthalene doped with azulene. In addition the influence of spin-up/spin-down on compositional homogeneity and microstructure of indium gallium antimonide and the effect of imposed melting-freezing cycles on indium gallium antimonide are discussed.

Wilcox, William R.↗
NASA NTRS2011

Metallization for Yb14MnSb11-Based Thermoelectric Materials

Thermoelectric materials provide a means for converting heat into electrical power using a fully solid-state device. Power-generating devices (which include individual couples as well as multicouple modules) require the use of ntype and p-type thermoelectric materials, typically comprising highly doped narrow band-gap semiconductors which are connected to a heat collector and electrodes. To achieve greater device efficiency and greater specific power will require using new thermoelectric materials, in more complex combinations. One such material is the p-type compound semiconductor Yb14MnSb11 (YMS), which has been demonstrated to have one of the highest ZT values at 1,000 C, the desired operational temperature of many space-based radioisotope thermoelectric generators (RTGs). Despite the favorable attributes of the bulk YMS material, it must ultimately be incorporated into a power-generating device using a suitable joining technology. Typically, processes such as diffusion bonding and/or brazing are used to join thermoelectric materials to the heat collector and electrodes, with the goal of providing a stable, ohmic contact with high thermal conductivity at the required operating temperature. Since YMS is an inorganic compound featuring chemical bonds with a mixture of covalent and ionic character, simple metallurgical diffusion bonding is difficult to implement. Furthermore, the Sb within YMS readily reacts with most metals to form antimonide compounds with a wide range of stoichiometries. Although choosing metals that react to form high-melting-point antimonides could be employed to form a stable reaction bond, it is difficult to limit the reactivity of Sb in YMS such that the electrode is not completely consumed at an operating temperature of 1,000 C. Previous attempts to form suitable metallization layers resulted in poor bonding, complete consumption of the metallization layer or fracture within the YMS thermoelement (or leg).

Firdosy, Samad↗
DOE OSTI2025

A theoretical study of the bonding properties of R 4 Sb 3 compounds

Here, this study investigates the electronic structure and bonding properties of rare-earth antimonide compounds, specifically Yb 4 Sb 3 and La 4 Sb 3 , utilizing density functional theory calculations. The analysis reveals that Yb 4 Sb 3 exhibits a predominantly ionic character whereas La 4 Sb 3 displays a greater degree of covalent bonding. Moreover, the presence of divalent ytterbium leads to p-type conduction at high temperatures in Yb 4 Sb 3 . Conversely, La 4 Sb 3 displays n-type conduction because of a larger electronic transfer from the rare-earth metal towards antimony. These findings provide valuable insights into the structural and electronic properties that govern the performance of R 4 Sb 3 compounds, contributing to the development of advanced materials for thermoelectric energy conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electronic Structure and Epitaxy of CdTe Shells on InSb Nanowires

Abstract Indium antimonide (InSb) nanowires are used as building blocks for quantum devices because of their unique properties, that is, strong spin‐orbit interaction and large Landé g‐factor. Integrating InSb nanowires with other materials could potentially unfold novel devices with distinctive functionality. A prominent example is the combination of InSb nanowires with superconductors for the emerging topological particles research. Here, the combination of the II–VI cadmium telluride (CdTe) with the III–V InSb in the form of core–shell (InSb–CdTe) nanowires is investigated and potential applications based on the electronic structure of the InSb–CdTe interface and the epitaxy of CdTe on the InSb nanowires are explored. The electronic structure of the InSb–CdTe interface using density functional theory is determined and a type‐I band alignment is extracted with a small conduction band offset ( ⩽0.3 eV). These results indicate the potential application of these shells for surface passivation or as tunnel barriers in combination with superconductors. In terms of structural quality, it is demonstrated that the lattice‐matched CdTe can be grown epitaxially on the InSb nanowires without interfacial strain or defects. These shells do not introduce disorder to the InSb nanowires as indicated by the comparable field‐effect mobility measured for both uncapped and CdTe‐capped nanowires.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Underlying mechanism of structural transformation between GaSb and GaAs response to intense electronic excitation

Ion irradiation of semiconductors has emerged as a promising approach for fabricating self-organized nanosystems with high atomic precision, despite often being accompanied by undesirable phenomena. Exploring the mechanisms underlying structural transformations is crucial for assessing nanostructure array types under complex irradiation environments. By quantitatively calculating the thermodynamically driven processes and analyzing the impact of intrinsic structural parameters, distinct structural transformations in response to intense electronic excitation are systematically investigated in gallium antimonide (GaSb) and gallium arsenide (GaAs) systems. In high-energy regimes, the nanofibers layer of GaSb exhibits intriguing structural discrepancy, characterized by partial nanofibers with coherent boundaries, interspersed nanopores accompanied by antisite defects and Ga precipitates, distinguishing to a series of discontinuous latent tracks that emerged within cylindrical trajectories in GaAs. Furthermore, significant diffusion behaviors of the nanohillocks are discovered in GaAs, with higher average roughness than GaSb, driven by the gradient stress distribution influenced by the free-surface effects. The deposition energy for melting phase formation, Gibbs free energy, and Ga diffusion coefficients contribute to the distinctive structural features, evidencing relatively stable morphological configurations and higher irradiation resistance in GaAs. Consequently, special optoelectronic properties associated with structural discrepancies facilitate the design and optimization of material functionalities by irradiation technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Generation and characterization of magnetized electron beam from a DC high voltage photogun for electron beam cooling application

One of the most challenging requirements for the proposed Electron-Ion Collider is the strong cooling of the proton beam, which is key to achieving the collider’s desired luminosity of order 10 33 -10 34 cm -2 s -1 . Magnetized bunched-beam electron cooling could be a means to achieve the required high luminosity, where strong cooling is accomplished inside a cooling solenoid where the ions co-propagate with an electron beam generated from a source immersed in a magnetic field. To increase the cooling efficiency, a bunched electron beam with high bunch charge and high repetition rate is required. This work describes the production and characterization of magnetized electron beam using a compact 300 kV DC high voltage photogun and bi-alkali antimonide photocathode. Beam magnetization was studied using a diagnostic beamline that includes viewer screens for measuring the shearing angle of the electron beamlet passing through a narrow upstream slit. Simulations and corresponding measurements of beam magnetization are presented as a function of laser spot size and magnetic field strength. Correlated beam emittance with magnetic field (0–0.15 T) at the photocathode was measured for various laser spot sizes. Measurements of photocathode lifetime were carried out at different magnetized electron beam currents up to 28 mA, and bunch charge up to 0.7 nC (not simultaneously).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

High-efficiency solar thermophotovoltaic system using a nanostructure-based selective emitter

Herein, we present the design, fabrication, optimization, and experimental results of a high-efficiency planar solar thermophotovoltaic (STPV) system utilizing a micro-textured absorber and a nanostructure multilayer metal-dielectric coated selective emitter fabricated on a tungsten (W) substrate. Light absorptance of more than 90% was achieved at visible and near-infrared wavelengths using the microtextured absorbing surface. The nanostructure selective emitter consists of two thin-film optical coatings of silicon nitride (Si3N4) and a layer of W in between to increase the surface emissivity in spectral regimes matching the quantum efficiency of the thermophotovoltaic (TPV) cells. Gallium antimonide (GaSb)-based TPV cells are used in our STPV design. The experiment was conducted at different operating temperatures using a high-power continuous wave laser diode stack as a simulated source of concentrated incident radiation. Our experimental setup measured a maximum electrical output power density of 1.71 W/cm 2 at 1676 K STPV temperature, and the overall power conversion efficiency of 8.4% after normalizing the output power density to the emitter area. This is the highest STPV system efficiency reported so far for any experimental STPV device. The incident optical laser power on the absorber side was 131 W. This is equivalent to a solar concentration factor of ~2100, which is within the practical limit and readily achievable with Fresnel lens setup.

14 SOLAR ENERGY↗
DOE OSTI2019

Bismuth as a Reactive Solvent in the Synthesis of Multicomponent Transition-Metal-Bearing Bismuthides

Employment of liquid bismuth (Bi) allows the facile single-crystal growth of compounds containing elements with high melting points, provided that these elements have reasonably high solubility in Bi. Utilization of the Bi flux approach yielded two new ternary bismuthides, SrNi 0.17(1) Bi 2 [a defect variant of the BaCuSn 2 type, space group Cmcm , α = 4.879(2) Å, b = 17.580(6) Å, and c = 4.696(2) Å] and CaTi 3 Bi 4 [NdTi 3 (Sn 0.1 Sb 0.9 ) 4 structure type, space group Fmmm , a = 5.6295(7) Å, b = 9.8389(1) Å, and c = 23.905(3) Å]. In addition, the ternary antimonide CaV3Sb4, isostructural with CaTi 3 Bi 4 , was synthesized from antimony (Sb) flux, and analyzed with the goal of validating structural assessment of the bismuthide analogue, where the X-ray crystallographic work proved to be very challenging. All synthesized compounds exhibit complex crystal structures featuring quasi-two-dimensional building blocks of different topologies. First-principle calculations reveal hypervalent bonding in the homoatomic Bi subunits. Lastly, physical property measurements indicate metallic conductivity and the absence of localized magnetism in the studied compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evanescent Mode Photoemission

Photoemission of electrons from solid surfaces into vacuum is routinely used in two configurations: reflection mode, in which light is incident on the emitting surface, and transmission mode, in which light illuminates the photoemissive material from behind. Here, using silicon nitride waveguides integrated beneath a high quantum efficiency cesium antimonide thin film, we demonstrate a new photoemission regime─the evanescent mode photoemission─in which light travels parallel to the surface in the waveguide while evanescently coupling into the thin film to excite and emit photoelectrons. Furthermore, our experiments show that this configuration enables direct visualization of guided optical modes over an unprecedented range (∼100 nm to 1 mm) and allows electron beam shaping at the source with transverse features well below ∼600 nm, establishing evanescent mode photoemission as a new platform for nanoscale optical field mapping and precise generation of electron beams.

Electron Sources↗
DOE OSTI2024

Anharmonic strong-coupling effects at the origin of the charge density wave in CsV 3 Sb 5

The formation of charge density waves is a long-standing open problem, particularly in dimensions higher than one. Various observations in the vanadium antimonides discovered recently further underpin this notion. Here, we study the Kagome metal CsV3Sb5 using polarized inelastic light scattering and density functional theory calculations. We observe a significant gap anisotropy with 2Δ max /κ B T CDW ≈ 20, far beyond the prediction of mean-field theory. The analysis of the A 1g and E 2g phonons, including those emerging below T CDW , indicates strong phonon-phonon coupling, presumably mediated by a strong electron-phonon interaction. Similarly, the asymmetric Fano-type lineshape of the A 1g amplitude mode suggests strong electron-phonon coupling below T CDW . The large electronic gap, the enhanced anharmonic phonon-phonon coupling, and the Fano shape of the amplitude mode combined are more supportive of a strong-coupling phonon-driven charge density wave transition than of a Fermi surface instability or an exotic mechanism in CsV 3 Sb 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Twofold van Hove singularity and origin of charge order in topological kagome superconductor CsV 3 Sb 5

The layered vanadium antimonides AV 3 Sb 5 (A = K, Rb, Cs) are a recently discovered family of topological kagome metals that exhibit a range of strongly correlated electronic phases including charge order and superconductivity. However, it is not yet understood how the distinctive electronic structure of the kagome lattice is linked to the observed many-body phenomena. Here we combine angle-resolved photoemission spectroscopy and density functional theory to reveal multiple kagome-derived van Hove singularities (vHS) coexisting near the Fermi level of CsV 3 Sb 5 and analyse their contribution to electronic symmetry breaking. The vHS are characterized by two distinct sublattice flavours (p-type and m-type), which originate, respectively, from their pure and mixed sublattice characters. These twofold vHS flavours of the kagome lattice critically determine the pairing symmetry and unconventional ground states emerging in the AV 3 Sb 5 series. We establish that, among the multiple vHS in CsV 3 Sb 5 , the m-type vHS of the d xz /d yz kagome band and the p-type vHS of the d xy /d x2–y2 kagome band are located very close to the Fermi level, setting the stage for electronic symmetry breaking. The former band is characterized by pronounced Fermi surface nesting, while the latter exhibits a higher-order vHS. Furthermore, our work reveals the essential role of kagome-derived vHS for the collective phenomena realized in the AV 3 Sb 5 family.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Rugged bialkali photocathodes encapsulated with graphene and thin metal film

Protection of free-electron sources has been technically challenging due to lack of materials that transmit electrons while preventing corrosive gas molecules. Two-dimensional materials uniquely possess both of required properties. Here, we report three orders of magnitude increase in active pressure and factor of two enhancement in the lifetime of high quantum efficiency (QE) bialkali photocathodes (cesium potassium antimonide (CsK 2 Sb)) by encapsulating them in graphene and thin nickel (Ni) film. The photoelectrons were extracted through the graphene protection layer in a reflection mode, and we achieved QE of ~ 0.17% at ~ 3.4 eV, 1/e lifetime of 188 h with average current of 8.6 nA under continuous illumination, and no decrease of QE at the pressure of as high as ~ 1 × 10 –3 Pa. In comparison, the QE decreased drastically at 10 –6 Pa for bare, non-protected CsK 2 Sb photocathodes and their 1/e lifetime under continuous illumination was ~ 48 h. We attributed the improvements to the gas impermeability and photoelectron transparency of graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Graphene as reusable substrate for bialkali photocathodes

Bialkali photocathodes, such as cesium potassium antimonide (CsK 2 Sb), can generate a high-brightness electron beam using a high-power green laser. These photocathode materials have potential applications in advanced accelerators and electron microscopes. It is known that the quantum efficiency (QE) of these photocathodes is affected severely by their substrates; however, reusability of the substrates is not well known. Here, we use graphene, silicon (Si), and molybdenum (Mo) substrates to evaluate the effects of substrates on the QE of redeposited CsK 2 Sb photocathodes after thermal cleanings. We found the QE of CsK 2 Sb photocathodes redeposited on a graphene substrate after a thermal cleaning at 500 °C remained largely unchanged. On the other hand, the QE of redeposited photocathodes on Si and Mo substrates after thermal cleaning at the same temperature decreased drastically. We used X-ray photoelectron spectroscopy (XPS) to quantitatively evaluate the residues of photocathodes after thermal cleaning at 400 °C and 500 °C. We found that the Sb, K, and Cs are removed by thermal cleaning at 500 °C for the graphene substrate, but all or the majority of these elements remained on the Si and Mo substrates. The results were consistent with our density functional theory (DFT) calculations for the case of Si, which we investigated. Furthermore, our angle-resolved photoemission spectroscopy (ARPES) on graphene indicated that its intrinsic electronic structure is preserved after photocathode deposition and thermal cleaning at 500 °C. Hence, we attributed the difference in amount of photocathode residue to the unique dangling-bond- free surface of inert graphene. Our results provide a foundation for graphene-based reusable substrates for high-QE semiconductor photocathodes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Near-field photonic thermal diode based on hBN and InSb films

A thermal diode is a two-terminal device that allows heat to transfer more easily in one direction (forward bias) than in the opposite direction (reverse bias). A photonic thermal diode operates in a contactless mode and may afford a large operating temperature range. Here, a near-field photonic thermal diode based on hexagonal boron nitride (hBN) and indium antimonide (InSb) films is theoretically demonstrated. In this work, the temperature dependence of the interband absorption of InSb is used to couple (or decouple) with the hyperbolic phonon polaritons in hBN. The numerical analysis predicts a rectification ratio greater than 17 for a 10 nm vacuum gap, when operating at an average temperature of 300 K and a temperature difference of 200 K. The calculated rectification ratio exceeds 35 at higher average temperatures with larger temperature differences.

77 NANOSCIENCE AND NANOTECHNOLOGY↗