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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Synthesis and field emission behaviour of well faceted In{sub 2}Se{sub 3} micro-crystals

Here in, we report synthesis of crystalline Indium Selenide (In{sub 2}Se{sub 3}) elegant microcrystals on Au coated Si substrates using one-step facile thermal evaporation route and their field emission investigations. The as-synthesized In{sub 2}Se{sub 3} micro-crystals were subjected to structural and morphological analysis prior to the field emission studies. The XRD spectrum of the as-synthesized product reveals formation of crystalline hexagonal phase of In{sub 2}Se{sub 3} under the prevailing experimental conditions. Under optimized process variables, the morphology of the as-synthesized product is characterized by presence of well facetted micron size particles of In2Se3. Furthermore, the EDAX analysis confirms the presence of In and Se in the as-synthesized sample. The field emission characteristic of the In{sub 2}Se{sub 3} micro-crystal emitter is found to be superior to the other metal chalcogenides micro-crystal based emitters. The synthesized In{sub 2}Se{sub 3} micro-crystals emitter delivers current density of ∼ 225 µA/cm{sup 2} at an applied electric field of ∼ 7.44 V/µm. The emission current stability investigated at pre-set value of ∼ 3 µA is observed to be fairly good. These observed results demonstrate potential of the In{sub 2}Se{sub 3} cathode as an electron source for practical applications in vacuum microelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Strain accommodation through facet matching in La{sub 1.85}Sr{sub 0.15}CuO{sub 4}/Nd{sub 1.85}Ce{sub 0.15}CuO{sub 4} ramp-edge junctions

Scanning nano-focused X-ray diffraction and high-angle annular dark-field scanning transmission electron microscopy are used to investigate the crystal structure of ramp-edge junctions between superconducting electron-doped Nd{sub 1.85}Ce{sub 0.15}CuO{sub 4} and superconducting hole-doped La{sub 1.85}Sr{sub 0.15}CuO{sub 4} thin films, the latter being the top layer. On the ramp, a new growth mode of La{sub 1.85}Sr{sub 0.15}CuO{sub 4} with a 3.3° tilt of the c-axis is found. We explain the tilt by developing a strain accommodation model that relies on facet matching, dictated by the ramp angle, indicating that a coherent domain boundary is formed at the interface. The possible implications of this growth mode for the creation of artificial domains in morphotropic materials are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Fast continuous tuning of terahertz quantum-cascade lasers by rear-facet illumination

GaAs-based terahertz quantum-cascade lasers (QCLs) are continuously tuned in their emission frequency by illuminating the rear facet with a near-infrared, high-power diode laser. For QCLs emitting around 3.1 THz, the maximum tuning range amounts to 2.8 GHz for continuous-wave operation at a heat sink temperature of 55 K, while in pulsed mode 9.1 and 8.0 GHz are achieved at 35 and 55 K, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Noble metal free photocatalytic H 2 generation on black TiO 2 : On the influence of crystal facets vs. crystal damage

In this study, we investigate noble metal free photocatalytic water splitting on natural anatase single crystal facets and on wafer slices of the [001] plane before and after these surfaces have been modified by high pressure hydrogenation and hydrogen ion-implantation. Here, we find that on the natural, intact low index planes, photocatalytic H 2 evolution (in the absence of a noble metal co-catalyst) can only be achieved when the hydrogenation treatment is accompanied by the introduction of crystal damage, such as simple scratching and miscut in the crystal, or by implantation damage. X-ray reflectivity, Raman, and optical reflection measurements show that plain hydrogenation leads to a ≈ 1 nm thick black titania surface layer without activity, while a colorless, density modified, and ≈7 nm thick layer with broken crystal symmetry is present on the ion implanted surface. These results demonstrate that (i) the H-treatment of an intact anatase surface needs to be combined with defect formation for catalytic activation and (ii) activation does not necessarily coincide with the presence of black color.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Surface facet dependence of competing alloying mechanisms

Metal alloys are ubiquitous in many branches of heterogeneous catalysis, and it is now fairly well established that the local atomic structure of an alloy can have a profound influence on its chemical reactivity. While these effects can be difficult to probe in nanoparticle catalysts, model studies using well defined single crystal surfaces alloyed with dopants enable these structure–function correlations to be drawn. The first step in this approach involves understanding the alloying mechanism and the type of ensembles formed. In this study, we examined the atomic structure of RhCu single-atom alloys formed on Cu(111), Cu(100), and Cu(110) surfaces. Our results show a striking difference between Rh atoms alloying in Cu(111) vs the more open Cu(100) and Cu(110) surface facets. Unlike Cu(111) on which Rh atoms preferentially place-exchange with Cu atoms in the local regions above step edges leaving the majority of the Cu surface free of Rh, highly dispersed, homogeneous alloys are formed on the Cu(100) and (110) surfaces. These dramatically different alloying mechanisms are understood by quantifying the energetic barriers for atomic hopping, exchange, swapping, and vacancy filling events for Rh atoms on different Cu surfaces through theoretical calculations. Density functional theory results indicate that the observed differences in the alloying mechanism can be attributed to a faster hopping rate, relatively high atomic exchange barriers, and stronger binding of Rh atoms in the vicinity of step edges on Cu(111) compared to Cu(110) and Cu(100). Furthermore, these model systems will serve as useful platforms for examining structure sensitive chemistry on single-atom alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Topology on a new facet of bismuth

Bismuth-based materials have been instrumental in the development of topological physics, even though bulk bismuth itself has been long thought to be topologically trivial. A recent study has, however, shown that bismuth is in fact a higher-order topological insulator featuring one-dimensional (1D) topological hinge states protected by threefold rotational and inversion symmetries. In this paper, we uncover another hidden facet of the band topology of bismuth by showing that bismuth is also a first-order topological crystalline insulator protected by a twofold rotational symmetry. As a result, its ( 1 1 ¯ 0 ) surface exhibits a pair of gapless Dirac surface states. Remarkably, these surface Dirac cones are “unpinned” in the sense that they are not restricted to locate at specific k points in the ( 1 1 ¯ 0 ) surface Brillouin zone. These unpinned 2D Dirac surface states could be probed directly via various spectroscopic techniques. Our analysis also reveals the presence of a distinct, previously uncharacterized set of 1D topological hinge states protected by the twofold rotational symmetry. Our study thus provides a comprehensive understanding of the topological band structure of bismuth.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Diffusion coefficients predicting facet-dependent crystallization in amorphous silicon nitride

Amorphous silicon nitride is a common material in microelectronics devices, which acts as an insulating barrier. Extended annealing times at elevated temperature can initiate crystallization of α-Si 3 ⁢ N 4 , which does not possess the same barrier properties. Molecular dynamics can resolve the fundamental mechanism for α-Si 3 ⁢N 4 crystallization and the influence of local environments. Here, we compare two interatomic potentials and conclude that these models predict structural features (e.g., angular distributions and densities) which span the range of experimental measurements. We confirmed these models reproduce experimental estimates of activation energy and leveraged these models to identify crystallization drivers. We conclude that near-T g , facet-dependent silicon nitride crystal growth rates can be predicted directly by either bulk or interfacial diffusion properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Sonic Lift-off of GaAs-based Solar Cells with Reduced Surface Facets

Spalling has been proposed as a promising kerfless technique for slicing thin wafers and devices, enhancing the wafer yield from an ingot by reducing kerf-losses and enabling substrate reuse for the case of costly devices. The main challenge of spalling is to control the roughness and thickness variation of the spalled wafers that can be as high as 100% of the wafer thickness. Here, we have shown previously that the thickness variations are largely influenced by the interaction of the crack front with its own reflected waves. Herein we show that through Sonic Lift-off we can offer a modification to standard spalling technologies that minimizes the interaction of reflected waves with the crack front during lift-off of GaAs(100)-based solar cells. We show that the average surface facets amplitude can be reduced by 96% while obtaining a high quality bulk with no discernible residual strain as measured by PL. The resulting spalling depth can easily be tuned from 100 µm to less than 15µm. The electrical characterization of the Sonic lift-off cell shows no degradation of the VOC and a power conversion within 99% relative of a non-spalled baseline.

42 ENGINEERING↗
DOE OSTI2019

Shape regulation of high-index facet nanoparticles by dealloying

Tetrahexahedral particles (~10 to ~500 nanometers) composed of platinum (Pt), palladium, rhodium, nickel, and cobalt, as well as a library of bimetallic compositions, were synthesized on silicon wafers and on catalytic supports by a ligand-free, solid-state reaction that used trace elements [antimony (Sb), bismuth (Bi), lead, or tellurium] to stabilize high-index facets. Both simulation and experiment confirmed that this method stabilized the {210} planes. A study of the PtSb system showed that the tetrahexahedron shape resulted from the evaporative removal of Sb from the initial alloy—a shape-regulating process fundamentally different from solution-phase, ligand-dependent processes. The current density at a fixed potential for the electro-oxidation of formic acid with a commercial Pt/carbon catalyst increased by a factor of 20 after transformation with Bi into tetrahexahedral particles.

Huang, Liliang (ORCID:0000000234740846)↗
DOE OSTI2019

Lateral Mode Discrimination in Edge-Emitting Lasers with Spatially Modulated Facet Reflectance

A post-growth technique aimed at spatial modification of facet reflectance of edge-emitting diode lasers has been proposed. It is based on the deposition of an anti-reflection coating and subsequent precise etching with a focused ion beam. The technique allowed suppressing of high-order lateral modes in 10 μm stripe lasers based on ten layers of InAs/InGaAs quantum dots.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The Roles of Oxide Growth and Sub-Surface Facets in Oxygen Evolution Activity of Iridium and Its Impact on Electrolysis

This paper combines density functional theory calculations and electrochemical testing to study activity differences among iridium (Ir) surfaces in the oxygen evolution reaction. Ir metal/hydroxide is significantly more active than Ir oxide, which may be due to oxide skins at the surface weakening O-binding relative to pure metal or oxide surfaces. Here we report a disparity in activity between Ir and Ir oxide in half-cells not observed in single-cells. Extended operation at elevated temperature and potential were found to result in oxide growth, limiting how surface differences affect electrolyzer performance. Comparisons of half- and single-cell testing were used to assess how well rotating disk electrode testing predicts membrane electrode assembly performance and durability. Although oxygen evolution activities in half-cells can translate to single-cells, standard rotating disk electrode test procedures can exaggerate the activity benefit of a metal/hydroxide surface relative to membrane electrode assembly performance under typical operating conditions; it also appears that a half-cell test cannot reasonably accelerate activity loss from continual operation. While a variety of novel catalyst approaches, including alloying, faceting, morphology, and supports can improve oxygen evolution kinetics, these results suggest that Ir surfaces at different oxide states may struggle to improve performance at the device level.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Preliminary Analysis on Linac Oscillation Data LI05-19 and Wake Field Energy Loss in FACET Commissioning 2012

In this note, preliminary analysis on linac ocsillation data in FACET linac LI05-09 plus LI11-19 is presented. Several quadrupoles are identified to possibly have different strength, compared with their designed strength in the MAD optics model. The beam energy loss due to longitudinal wake fields in the S-band linac is also analytically calculated, also by LITRACK numerical simulations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Start-2-End Simulation in FACET Linac

Start-2-end simulations are essential to evaluate various beam dynamic aspects. In this note, start-2-end simulation studies are presented for FACET electron linac accelerator, from the damping ring exit point to the final interaction point.

Accelerators↗
DOE OSTI2013

SLAC National Accelerator Laboratory FACET & TEST BEAM FACILITIES PROPOSAL: Development of Electron Radiography for Material Science

The material science community is presently limited by diagnostics in both the fabrication of materials and measuring the resulting materials characteristics of these new fabrication techniques. Because of this limitation the community is forced into an empirical mode of material fabrication, where expert judgment is used to guide manufacturing processes and the resulting materials are inspected and tested for the desired characteristics. This development approach can be time consuming and costly. The solution to this problem is to improve our fundamental understanding of materials, which requires the development of new diagnostics capable of measurement at the micron length scale, during both processing and during testing. These new measurements will enable a fundamental understanding of material characteristics allowing the development of predictive models, which will in turn enable material engineering by design rather than today’s empirical approach. Solving this problem has become a grand challenge for the materials science community. Los Alamos plans to address this challenge through the development of new diagnostics capable of measurements at the smallest length scales through the Multi-Probe Diagnostic Hall (MPDH) at the planned MaRIE (Material and Radiation In Extremes) Facility. One of the probes will be a coherent photon beam generated by an FEL driven by a multi-GeV electron beam. The photons will be used for diffraction measurements as well as radiography of relatively thin samples (nearly single grains). The same multi-GeV electron beam can be used to directly radiograph thicker systems (many grains or “bulk” material), providing high resolution measurements of the density distribution of materials during both fabrication and dynamic testing. This technique, electron radiography or eRad, that has been identified by LANL as one of the probes required to meet this grand challenge has never been demonstrated with high energy electrons. We propose to begin development of this technique with the electron beam available at FACET.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Fusion Application for Core-Edge Transport Simulations (FACETS) (Final Report)

The FACETS project over its lifetime developed the first self-consistent core-edge coupled capabilities, a new transport solver for modeling core transport in tokamak cores, developed a new code for modeling wall physics over long time scales, and significantly improved the capabilities and performance of legacy components, UEDGE, NUBEAM, GLF23, GYRO, and BOUT++. These improved capabilities leveraged the team’s expertise in applied mathematics (solvers and algorithms) and computer science (performance improvements and language interoperability). The project pioneered new methods for tackling the complexity of simulating the concomitant complexity of tokamak experiments.

core-edge simulation↗
DOE OSTI2020

FACETS Dynamical Downscaling Simulations over North America by the CAM-MPAS Variable-Resolution Model

Comprehensive assessment of climate datasets created by statistical or dynamical models is important for effectively communicating model projection and associated uncertainty to stakeholders and decision-makers. The Department of Energy FACETS project aims to foster such communication through development of metrics and their demonstration on a hierarchy of downscaled climate datasets to quantify aspects of climate change projections that are credible, particularly for supporting decisions related to the energy-water-land nexus. As a part of this effort, we have produced a regional climate dataset using the Model for Prediction Across Scales coupled to the Community Atmosphere Model (CAM-MPAS). This global modeling framework is configured with variable-resolution meshes featuring higher resolutions over North America, as well as quasi-uniform resolution meshes across the globe. The variable-resolution configurations allow fine-scale features to be better resolved inside the refinement and interact with global-scale circulations. The dataset includes multiple uniform- (240km and 120km) and variable-resolution (200-50km, 100-25km, and 46-12km) simulations that are designed to be compatible with other regional climate simulations that contribute to the hierarchy of downscaled climate datasets of the project. Furthermore, the dataset consists of simulations for both the present-day (1989-2010) and future (2079-2100) climate and post-processing of the model output has been coordinated across the project for consistency to facilitate common analysis across the hierarchy of datasets. Altogether, this CAM-MPAS model dataset provides a unique opportunity to assess the influence of resolutions and modeling framework on model credibility and climate change projection.

Sakaguchi, Koichi↗