Molecular Dynamics Modeling of Thermal Conductance at Atomically Clean and Disordered Silicon/Aluminum Interfaces
Abstract not provided
36 MATERIALS SCIENCE↗
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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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Calculation of the Schottky barrier and current–voltage characteristics of metal–alloy structures based on silicon carbide
A simple but nonlinear model of the defect density at a metal–semiconductor interface, when a Schottky barrier is formed by surface defects states localized at the interface, is developed. It is shown that taking the nonlinear dependence of the Fermi level on the defect density into account leads to a Schottky barrier increase by 15–25%. The calculated barrier heights are used to analyze the current–voltage characteristics of n-M/p-(SiC){sub 1–x}(AlN){sub x} structures. The results of calculations are compared to experimental data.
36 MATERIALS SCIENCE↗
Modeling Arctic seafloor biogeochemistry in E3SM for InteRFACE
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Earth Sciences↗
Particle Engulfment and Pushing by Solidifying Interfaces LMS Mission Results
Results of the directional solidification experiments on Particle Engulfment and Pushing by Solidifying Interfaces (PEP) conducted on the space shuttle Columbia are reported. The experiment was manifested as part of The Life and Microgravity Science Mission. Two pure aluminum (99.999%) 9 mm cylindrical rods, loaded with about 2 vol.% 500 microns diameter zirconia particles were melted and directionally solidified in the microgravity (micro-g) environment of the shuttle. The particles were non-reactive with the matrices within the temperature range of interest. The experiments were conducted such as to insure a planar solid/liquid interface during solidification. Two different cartridge - crucible - sample designs were used: a spring-piston and expansion void. Both resulted in sound samples. Samples were evaluated post-flight for soundness by X-ray computer tomography (XCT).
Juretzko, Frank R.↗
Optimum high temperature strength of two-dimensional nanocomposites
High-temperature nanoindentation was used to reveal nano-layer size effects on the hardness of two-dimensional metallic nanocomposites. We report the existence of a critical layer thickness at which strength achieves optimal thermal stability. Transmission electron microscopy and theoretical bicrystal calculations show that this optimum arises due to a transition from thermally activated glide within the layers to dislocation transmission across the layers. We demonstrate experimentally that the atomic-scale properties of the interfaces profoundly affect this critical transition. The strong implications are that interfaces can be tuned to achieve an optimum in high temperature strength in layered nanocomposite structures.
36 MATERIALS SCIENCE↗
How orbital angular momentum affects beam shifts in optical reflection
It is well known that reflection of a Gaussian light beam (TEM{sub 00}) by a planar dielectric interface leads to four beam shifts when compared to the geometrical-optics prediction. These are the spatial Goos-Haenchen (GH) shift, the angular GH shift, the spatial Imbert-Fedorov (IF) shift, and the angular IF shift. We report here, theoretically and experimentally, that endowing the beam with orbital angular momentum leads to coupling of these four shifts; this is described by a 4x4 mixing matrix.
36 MATERIALS SCIENCE↗
Insight into the epitaxial growth of high optical quality GaAs{sub 1–x}Bi{sub x}
The ternary alloy GaAs{sub 1–x}Bi{sub x} is a potentially important material for infrared light emitting devices, but its use has been limited by poor optical quality. We report on the synthesis of GaAs{sub 1–x}Bi{sub x} epi-layers that exhibit narrow, band edge photoluminescence similar to other ternary GaAs based alloys, e.g., In{sub y}Ga{sub 1–y}As. The measured spectral linewidths are as low as 14 meV and 37 meV at low temperature (6 K) and room temperature, respectively, and are less than half of previously reported values. The improved optical quality is attributed to the use of incident UV irradiation of the epitaxial surface and the presence of a partial surface coverage of bismuth in a surfactant layer during epitaxy. Comparisons of samples grown under illuminated and dark conditions provide insight into possible surface processes that may be altered by the incident UV light. The improved optical quality now opens up possibilities for the practical use of GaAs{sub 1–x}Bi{sub x} in optoelectronic devices.
36 MATERIALS SCIENCE↗
NASA GIBS and Worldview: Bringing 20 Years of Terra Data into View
For nearly 10 years, the NASA Global Imagery Browse Services (GIBS) and Worldview interactive mapping site have provided users full resolution visualizations of Terra land, cryosphere, ocean, and atmosphere science parameters available within hours of acquisition. Over that time, GIBS and Worldview have expanded their Terra visualization suite to include even more parameters covering the entire mission of science data. Users can now view daily visualizations of nearly 50 near-real time and over 125 science quality science parameters from Terra instruments. These visualizations provide a unique capability for a broad user base to interact and discover the wealth of information sense by instruments on the Terra platform. By viewing Terra-based visualizations in a single location, users can correlate retrievals across instruments. Additionally, GIBS and Worldview include visualizations from many other platforms, allowing for an even greater data discovery capability.The GIBS and Worldview teams continue to work with Terra instrument science teams to add more visualized layers, as well as supporting visualization updates as the data is continually improved. Additionally, the GIBS interfaces and Worldview site are actively working on improved visualization functionality, including vector- and granule/swath-based products, to better address the expanding needs of its user community. This presentation will focus on an overview of existing and future visualization products and capabilities that have supported, and will support, a broad use of Terra data in science, media, and application communities.
Cechini, Matthew↗
Interfacial characteristics of diamond/aluminum composites with high thermal conductivity fabricated by squeeze-casting method
In this work, aluminum matrix composites reinforced with diamond particles (diamond/aluminum composites) were fabricated by squeeze casting method. The material exhibited a thermal conductivity as high as 613 W / (m · K). The obtained composites were investigated by scanning electron microscope and transmission electron microscope in terms of the (100) and (111) facets of diamond particles. The diamond particles were observed to be homogeneously distributed in the aluminum matrix. The diamond{sub (111)}/Al interface was found to be devoid of reaction products. While at the diamond{sub (100)}/Al interface, large-sized aluminum carbides (Al{sub 4}C{sub 3}) with twin-crystal structure were identified. The interfacial characteristics were believed to be responsible for the excellent thermal conductivity of the material. - Graphical abstract: Display Omitted - Highlights: • Squeeze casting method was introduced to fabricate diamond/Al composite. • Sound interfacial bonding with excellent thermal conductivity was produced. • Diamond{sub (111)}/ aluminum interface was firstly characterized by TEM/HRTEM. • Physical combination was the controlling bonding for diamond{sub (111)}/aluminum. • The growth mechanism of Al{sub 4}C{sub 3} was analyzed by crystallography theory.
36 MATERIALS SCIENCE↗
(001) textured L1{sub 0}-FePt pseudo spin valve with TiN spacer
TiN was investigated as a potential spacer material in L1{sub 0}-FePt based pseudo spin valves (PSV). PSVs with the structure MgO/L1{sub 0}-Fe{sub 50}Pt{sub 50} (20 nm)/TiN (5 nm)/L1{sub 0}-Fe{sub 50}Pt{sub 50} (x nm) were fabricated, where x was varied from 5 to 20 nm. The highest giant magnetoresistance (GMR) ratio of 0.61% was obtained for the PSV with a top L1{sub 0}-FePt thickness of 20 nm. Contributions to the GMR arose from both the spin dependent scattering at the FePt/TiN interfaces and domain wall resistivity. Magnon magnetoresistance was also observed in the fabricated PSVs.
36 MATERIALS SCIENCE↗
Ultrafast low-temperature metal–insulator interface phonon dynamics and heat transport in a Pt/Gd 3 Fe 5 O 12 heterostructure
Interfacial thermal and acoustic phenomena have an important role in quantum science and technology, including in spintronic and spincaloritronic materials and devices. Simultaneous measurements of the low-temperature thermal and acoustic properties of a metal/insulator heterostructure reveal distinct dynamics in the characteristic phonon frequency ranges of acoustic and thermal transport. The measurements probed a heterostructure consisting of a thin film of Pt on the ferrimagnetic insulator gadolinium iron garnet (Gd 3 Fe 5 O 12 , GdIG) grown epitaxially on a gadolinium gallium garnet substrate. Ultrafast structural dynamics within the Pt layer were tracked using time-resolved ultrafast x-ray diffraction and analyzed to probe interfacial acoustic and thermal properties. The rapid heating of the Pt layer by a 400 nm wavelength femtosecond-duration optical pulse produced transient structural changes that provided the stimulus for these measurements. Rapid heating produced a broadband acoustic pulse that was partially reflected by the Pt/GdIG interface. Temporal frequencies up to 740 GHz, corresponding to angular frequencies of several THz, were detected in a wavelet analysis of the acoustic oscillations of the strain in the Pt layer. The structural results were analyzed to determine (i) the acoustic damping coefficient and phonon mean free path in Pt at frequencies of hundreds of GHz and (ii) the Grüneisen anharmonicity parameter. The thermal conductance of the Pt/GdIG interface was tracked using the slower, tens-of-picosecond-scale, dynamics of the initial cooling of the heated Pt layer. Analysis using a model based on the Boltzmann transport equation shows that the phonon transmission is lower at the phonon frequencies relevant to thermal transport than for subterahertz regime acoustics.
Acoustic phenomena↗
Perovskite evolution on La modified Mn 1.5 Co 1.5 O 4 spinel through thermal ageing with enhanced oxidation activity: Is sintering always an issue?
Non-precious metal oxides have great potential in catalytic deep oxidation of emitted hydrocarbons to help address various environmental pollution concerns. However, sintering issue is a stumbling block in practical application upon long-term high-temperature operation or thermal shock experience. Herein, La was applied to modify Mn 1.5 Co 1.5 O 4 spinel to get a highly active oxidation catalyst with exceptional stability against high-temperature thermal ageing treatment. With thermal ageing at 750 °C for 100 h, the La modified Mn–Co composite reached 90 % conversion in toluene oxidation at 265 °C under the high WHSV of 120,000 mL g -1 h -1 , while this value increased to 312 °C over blank Mn–Co spinel. The addition of La not only inhibited the growth of spinel nanocrystals, but also brought about perovskite formation through sintering, generating perovskite-spinel interfaces, thus enhancing both activity and stability. Meanwhile, the La modified Mn–Co spinel exhibited superior performance in presence of water or sulfur dioxide after thermal ageing treatment. In conclusion, this work offers a versatile strategy to design anti-sintering and active oxidation nanocatalysts based on non-precious metal oxides for industrial applications.
36 MATERIALS SCIENCE↗
Electrical and photoelectric properties of Si-based metal–insulator–semiconductor structures with Au nanoparticles at the insulator–semiconductor interface
It is shown that the formation of Au nanoparticles at the insulator–silicon interface in structures with a high density of surface states results in a shift of the Fermi-level pinning energy at this interface towards the valence-band ceiling in silicon and in increasing the surface-state density at energies close to the Fermi level. In this case, a band with a peak at 0.85 eV arises on the photosensivity curves of the capacitor photovoltage, which is explained by the photoemission of electrons from the formed Au-nanoparticle electron states near the valence-band ceiling in silicon.
36 MATERIALS SCIENCE↗
Ultraviolet light-emitting diodes grown by plasma-assisted molecular beam epitaxy on semipolar GaN (2021) substrates
Multi-quantum well (MQW) structures and light emitting diodes (LEDs) were grown on semipolar (2021) and polar (0001) GaN substrates by plasma-assisted molecular beam epitaxy. The In incorporation efficiency was found to be significantly lower for the semipolar plane as compared to the polar one. The semipolar MQWs exhibit a smooth surface morphology, abrupt interfaces, and a high photoluminescence intensity. The electroluminescence of semipolar (2021) and polar (0001) LEDs fabricated in the same growth run peaks at 387 and 462 nm, respectively. Semipolar LEDs with additional (Al,Ga)N cladding layers exhibit a higher optical output power but simultaneously a higher turn-on voltage.
36 MATERIALS SCIENCE↗
Selection and Assessment of Phenomenological Models of Tumor Growth
We address general approaches to the rational selection and validation of mathematical and computational models of tumor growth using methods of Bayesian inference. The model classes are derived from a general diffuse-interface, continuum mixture theory and focus on mass conservation of mixtures with up to four species. Synthetic data are generated using higher-order base models. We discuss general approaches to model calibration, validation, plausibility, and selection based on Bayesian-based methods, information theory, and maximum information entropy. We also address computational issues and provide numerical experiments based on Markov chain Monte Carlo algorithms and high performance computing implementations.
59 BASIC BIOLOGICAL SCIENCES↗
Constructing hierarchical interfaces: TiO 2 -supported PtFe-FeO x nanowires for room temperature CO oxidation
This is a report of a facile approach to constructing catalytic active hierarchical interfaces in one-dimensional (1D) nanostructure, exemplified by the synthesis of TiO 2 -supported PtFe–FeO x nanowires (NWs). The hierarchical interface, constituting atomic level interactions between PtFe and FeO x within each NW and the interactions between NWs and support (TiO 2 ), enables CO oxidation with 100% conversion at room temperature. We identify the role of the two interfaces by probing the CO oxidation reaction with isotopic labeling experiments. Both the oxygen atoms (Os) in FeO x and TiO 2 participate in the initial CO oxidation, facilitating the reaction through a redox pathway. Moreover, the intact 1D structure leads to the high stability of the catalyst. After 30 h in the reaction stream, the PtFe–FeO x /TiO2 catalyst exhibits no activity decay. These results provide a general approach and new insights into the construction of hierarchical interfaces for advanced catalysis.
36 MATERIALS SCIENCE↗
Coherency strain enhanced dielectric-temperature property of rare-earth doped BaTiO{sub 3}
Core/shell-grained BaTiO{sub 3} samples were prepared with addition of rare earth elements. The core/shell interface was semi-coherent, and many misfit dislocations formed in Dy-doped samples. In contrast, a coherent interface and few dislocations were observed in Ho- and Er-doped samples. Dy-doped samples exhibited poor temperature stability, showing a peak with no frequency dispersion. Ho- and Er-doped samples exhibited a broad curve with frequency dispersion. This improved temperature stability is attributed to the coherency strain, which leads to the formation of polar nano-regions in the shell. Coherency at the core/shell interface is critical to improve the temperature stability of core/shell-structured BaTiO{sub 3}.
36 MATERIALS SCIENCE↗