Efficient structural reliability including the effects of crystallographic texture on engineering-scale performance.
Abstract not provided.
Emery, John M↗
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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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Large crystal local-field effects in the dynamical structure factor of rutile TiO 2
Abstract not provided
Gurtubay, I. G.↗
Mechanistic Effects of Porosity on Structural Composite Materials.
Abstract not provided.
Siver, Andrew J.↗
Hyperfine effects in hole GaAs/AlGaAs structures probed by EDSR measurements in a double quantum dot device.
Abstract not provided.
Studenikin, Sergei↗
Effect of Pressure on Structure and Extinction of Counterflow Premixed Ammonia/Air Flames
With the growing interest in ammonia as a carbon-free fuel, numerous recent research efforts on fundamental combustion characteristics of ammonia have been reported. Despite this attention, there remain fundamental aspects that lack experimental investigation or validated chemical kinetic models. Specifically, the understanding of ammonia flame structure and the quantification of extinction limits at elevated pressures are incomplete. Furthermore, the chemistry of NOx in relation to ammonia flames has not been thoroughly examined, especially at pressure, and it is useful to explore the operating conditions that exhibit favorable flame stability with minimal NOx formation. In the current work, key characteristics of ammonia/air combustion, including strain-induced extinction limits and NO* chemiluminescence, are experimentally investigated over a wide range of equivalence ratios and pressures. This paper presents initial results in a study directed to improved comprehension of ammonia combustion chemistry, and acquisition of new datasets under elevated pressure and temperature conditions, to better refine rate expressions for important reactions in ammonia combustion.
08 HYDROGEN↗
Neutron Irradiation Effects on the Graphitic Structure of a Fine-Grain Graphite
Multiple programs are being performed worldwide that investigate the neutron irradiation-induced property changes in graphite. Similar programs have been performed for over 60 years, and still there is little understanding about why different graphite grades respond differently to the same irradiation conditions. The current thought is that there are multiple microstructural features that evolve during neutron irradiation and different features control the different physical property evolutions. Multiple neutron irradiation campaigns are underway at Oak Ridge National Laboratory (ORNL) in the High Flux Isotope Reactor (HFIR). All of these campaigns utilize a comprehensive irradiation matrix that will allow investigation of the physical and microstructure changes, and will provide insight into which microstructure changes are controlling different physical property changes. (authors)
36 MATERIALS SCIENCE↗
Effect of Fuel Chemical Structure on Soot Formation in Sustainable Aviation Fuels
Explore the source record for details and available documents.
Yi, Junghwa↗
Effect of the oxide layer on current-induced spin-orbit torques in Hf|CoFeB|MgO and Hf|CoFeB|TaO{sub x} structures
We study the effect of the oxide layer on the current-induced spin-orbit torques (SOTs) in perpendicularly magnetized Hf|CoFeB|MgO (MgO-capped) or Hf|CoFeB|TaO{sub x} (TaO{sub x}-capped) structures. The effective fields corresponding to both the field-like and damping-like current-induced SOTs are characterized using electric transport measurements. Both torques are found to be significantly stronger in MgO-capped structures than those in TaO{sub x}-capped structures. The difference in field-like and damping-like SOTs in the different structures may be attributed to the different Rashba-like Hamiltonian, arising from the difference in the electric potential profiles across the oxide|ferromagnet interfaces in the two cases, as well as possible structural and oxidation differences in the underlying CoFeB and Hf layers. Our results show that the oxide layer in heavy-metal|ferromagnet|oxide trilayer structures has a very significant effect on the generated SOTs for manipulation of ferromagnetic layers. These findings could potentially be used to engineer SOT devices with enhanced current-induced switching efficiency.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Revisit the VEC criterion in high entropy alloys (HEAs) with high-throughput ab initio calculations: A case study with Al-Co-Cr-Fe-Ni system
Valence electron concentration (VEC) was treated as a useful parameter to predict the stability of solid solution phases. However, the available experimental data to support this criterion is far from enough. In the current study, the high-throughput ab initio modeling is applied to investigate the relative stability of FCC and BCC single crystals of the Al-Co-Cr-Fe-Ni high entropy alloys (HEAs) by using the special quasi-random structure (SQS) approach. Furthermore, the predictions start with pure elements of the Al-Co-Cr-Fe-Ni system and are continued with binaries, ternaries, and quaternary compositions, which come up with 180 compositions (360 structures). After that, the reliability of the VEC criterion is testified. The results show that the VEC criterion not only works for the stable structure but also works effectively for metastable structure when both FCC and BCC are not thermodynamic stable. However, it is found that the old VEC criterion proposed by Guo et al. fails to work effectively for compositions containing high concentrations of light-weight metals such as Al at VEC<5. To solve this problem, the present work proposes a new VEC rule to define the stability of FCC and BCC structures at the ground state. With the implementation of the new VEC rule, the effectiveness of the VEC rule (EVEC) of both FCC and BCC structures is enhanced, especially for pure elements and binary compositions, indicating that this rule does not only work effectively for multicomponent systems but also works for low-order systems.
36 MATERIALS SCIENCE↗
Partial strain relaxation effects on polarization anisotropy of semipolar (112{sup ¯}2) InGaN/GaN quantum well structures
Partial strain relaxation effects on polarization anisotropy of semipolar (112{sup ¯}2) InGaN/GaN quantum well (QW) structures were investigated using the multiband effective-mass theory. In the case of strain relaxation of ϵ{sub x′x′} along x′-axis, the polarization ratio gradually decreases with increasing strain relaxation. Also, with the strain relaxation by the same amount, the variation of the polarization ratio along x′-axis is shown to be much larger than that along y′-axis. However, the polarization switching is not observed even at a high In composition of 0.4 due to a small strain component (ϵ{sub x′x′}{sup 0}) with no strain relaxation. On the other hand, in the case of strain relaxation of ϵ{sub y′y′} along y′-axis, the polarization switching is observed, and the optical anisotropy is found to change from positive to negative with increasing strain relaxation. Also, the absolute value of the polarization ratio gradually decreases with increasing carrier density. However, the polarization switching due to the carrier density is not observed. Thus, the polarization switching observed at high carrier density may be attributed to inhomogeneous strain distribution in the InGaN layer.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Effect of Preparation Conditions on the Structure and Magnetic Properties of Metal-Doped Magnesium Ferrites Synthesized From Laterite Leaching Solutions
In this paper, metal-doped magnesium ferrites (MgFe{sub 2}O{sub 4}) were synthesized from laterite leaching solutions using a coprecipitation-calcination method. The as-synthesized samples were characterized by x-ray diffraction (XRD), Fourier transform infrared spectrometer (FTIR), and physical property measurement system (PPMS) to determine the structure and magnetic properties. The effects of preparation conditions including precipitant reagents and metal ion concentrations in the laterite leaching solutions on the as-prepared spinel ferrites were investigated systematically. It is indicated that Ni–Co–Mn-doped MgFe{sub 2}O{sub 4} and Mn–Al–Cr-doped MgFe{sub 2}O{sub 4} could be synthesized from laterite leaching solutions by using sodium hydroxide (NaOH) and ammonia solution (NH{sub 3}⋅H{sub 2}O) as precipitant reagent, respectively. By adjusting the metal ion concentrations in the laterite leaching solutions, Ni–Co–Mn-doped MgFe{sub 2}O{sub 4} with different substitution contents were obtained. With the Ni and Mn substitution content increasing, the lattice constant and average grain size decreased, while x-ray density increased correspondingly. Magnetic property tests indicated that all the as-prepared samples exhibited typical ferrimagnetic behavior at room temperature, and the saturation magnetization (Ms) depended on the Ni, Co, and Mn substitution content. Specifically, the Ms and Hc values of the as-prepared metal-doped MgFe{sub 2}O{sub 4} sample with optimum substitution content of 0.185 could reach 33.22 emu g{sup −1} and 53 Oe, respectively.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
The effects of stress, temperature and facet structure on growth of { 10 1 ¯ 2 } twins in Mg: a molecular dynamics and phase field study
The present study focuses on the roles of structure, stress and temperature on the mobility of facets bounding twin domains and on the overall impact on the growth kinetics of { 10 1 ¯ 2 } twins in Mg. We first use molecular dynamics simulations (MD) to study the relationship between interface structures, stress, temperature and mobility. As facets can exhibit distinct atomic scale structures, we also quantify the effect of stress relaxation mediated by misfit dislocations on the mobility of the basal-prismatic interface. The information gathered for ten different facets is used to calibrate an anisotropic phase field model predicting the effects of temperature and stress on the kinetics and shape of a growing { 10 1 ¯ 2 } 3D twin, by comparison with MD data. The comparative analysis suggests that, as compared to simulations of individual facets, the effective mobility of facets can be significantly different during growth of a 3D twin. This can be attributed to the complex three-dimensional internal stress state of the twin and to coupling in facet motion triggered by facet junctions. As such, by directly fitting both the twin growth kinetics and morphology as predicted by MD for different stresses and temperatures, we can identify a limited set of rate-limiting facets that control twin growth and morphology, and measure their effective mobility.
36 MATERIALS SCIENCE↗
Effect of the Hydrofluoroether Cosolvent Structure in Acetonitrile-Based Solvate Electrolytes on the Li+ Solvation Structure and Li-S Battery Performance.
We evaluate hydrofluoroether (HFE) cosolvents with varying degrees of fluorination in the acetonitrile-based solvate electrolyte to determine the effect of the HFE structure on the electrochemical performance of the Li-S battery. Solvates or sparingly solvating electrolytes are an interesting electrolyte choice for the Li-S battery due to their low polysulfide solubility. The solvate electrolyte with a stoichiometric ratio of LiTFSI salt in acetonitrile, (MeCN)(2)-LiTFSI, exhibits limited polysulfide solubility due to the high concentration of LiTFSI. We demonstrate that the addition of highly fluorinated HFEs to the solvate yields better capacity retention compared to that of less fluorinated HFE cosolvents. Raman and NMR spectroscopy coupled with ab initio molecular dynamics simulations show that HFEs exhibiting a higher degree of fluorination coordinate to Li+ at the expense of MeCN coordination, resulting in higher free MeCN content in solution. However, the polysulfide solubility remains low, and no crossover of polysulfides from the S cathode to the Li anode is observed.
hydrofluoroether cosolvent↗
Effects of channel thickness on structure and transport properties of AlGaN/InGaN heterostructures grown by pulsed metal organic chemical vapor deposition
Highlights: • High quality AlGaN/InGaN heterostructures are grown and the effects of InGaN channel thickness on the structural and transport properties are investigated in detailed. • A high electron mobility of 1712 cm{sup 2}/Vis achieved for the heterostructures with an optimum channel thickness of 21 nm, indicating the huge potential of InGaN channel heterostructures in high frequency and high power applications. • The analyze method in this work can be generalized to both the studies of InGaN channel heterostructures with arbitrary component and all the heterostructures with inserted channel. - Abstract: High-quality AlGaN/InGaN heterostructures are grown and the effects of InGaN channel thickness on the structure and transport properties are investigated. With the increase of InGaN channel thickness from 7 nm to 28 nm, the two-dimensional electron gas density decreases continuously, while the mobility shows a trend of increasing at first, and then decreasing. The optimum thickness of 21 nm is obtained for the In{sub 0.05}Ga{sub 0.95}N channel, achieving a high electron mobility of 1712 cm{sup 2}/V, which indicates the huge potential for InGaN channel heterostructures in high-frequency and high-power applications. The variation in transport properties is studied by analyzing the structure formation, material quality, and interface characteristic in detail. The results are not only beneficial for the further study of the InGaN channel heterostructures, but also instructive for the other inserted channel system.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effects of the preparation processes on structural, electronic, and optical properties of LaHoO{sub 3}
Highlights: • The preparation of LaHoO{sub 3} by combustion and hydrothermal techniques was performed. • The crystal structure and characterization of the synthesized oxides were carried out. • The lattice distortions have effects on Raman, luminescence and optical band gap. • Electronic properties and band structure have been carried out by DFT method. • Sample prepared by hydrothermal process gives higher emission intensities. - ABSTRACT: Lanthanum holmium oxide (LaHoO{sub 3}) was synthesized using combustion and hydrothermal processes in order to compare the effects of preparation method on structural, electronic, and optical properties. For this purpose, the as-prepared samples were characterized with infrared spectroscopy, Raman scattering, X-ray diffraction, and scanning electronic microscopy. The Rietveld refinements structure of as-prepared samples show that lattice distortions and volume expansion were obtained for LaHoO{sub 3} synthesized with hydrothermal method compared to combustion process. The luminescence properties were investigated upon 488 and 750 nm laser excitations. The emission curves show the presence of characteristic Ho{sup 3+} transitions with a higher emission intensity for a sample prepared by hydrothermal method than the one obtained by combustion process. The structures properties effects on the band structure and the density of states were realized via generalized gradient approximation functional with Hubbard correction. The lattice distortions were found to have effects on Raman, luminescence and optical band gap.
36 MATERIALS SCIENCE↗
Effect of sintering time on structural, microstructural and chemical composition of Ni-doped lanthanum gallate perovskites
This work reports the effect of two different sintering times, 6 and 48 h on the structural, microstructural, and chemical features of Ni-doped La{sub 0.90}Sr{sub 0.10}GaO{sub 3.00−δ}. Independently of the sintering time, La{sub 0.90}Sr{sub 0.10}Ga{sub 1−x}Ni{sub x}O{sub 3.00−δ} (where x=0.10, and 0.20 (mol)) presents a rhombohedral symmetry with a lattice volume that decreases when NiO dopant increases. Besides the perovskite, LaSrGa{sub 3.00}O{sub 7.00} (nominal composition) is present as second phase in all cases. When the samples are doped with NiO, the peaks of this second phase are shifted with respect to the peaks of the pure phase. These shifts suggest that this second phase could admit some Ni ions in its structure. According to the XRD patterns, the amount of the latter phase is larger when sintering time is increased. Electron probe microanalysis (EPMA) indicated that the matrix of the samples sintered for 6 h is constituted by a perovskite with an experimental composition very close to the nominal one. However, when the samples are sintered for 48 h the matrix of each sample is constituted by two perovskites; both with compositional deviations with respect to their nominal one. In particular, a significant Sr depletion compensated by a La increment in the A site is observed. Those compositional deviations could be mainly due to the diffusion of the cations in the bulk and/or from the bulk to the surface of the samples. That diffusion can favour the formation, not only, of a second perovskite with a different composition in relation with the first one formed, but also, the formation of second phases. In addition, a very slight broadening of Bragg peaks of the perovskites sintered for 48 h is observed by XRD and can be related to the presence of two different perovskites in each sample according to EPMA results. By BSEM and EPMA analyses La{sub 4.00}Ga{sub 2.00}O{sub 9.00} (nominal composition) is also observed as second phase when samples are treated for 48 h. - Graphical abstract: Typical microstructures, observed by FEG-SEM, of La{sub 0.90}Sr{sub 0.10}Ga{sub 1−x}Ni{sub x}O{sub 3.00−δ} materials with x=0.00 and 0.10 (nominal compositions) and sintered at 1450 °C for 48 h after polishing and thermal etching are shown. Lighter grey grains with a bimodal grain size are observed and according to XEDS analysis correspond to two perovskites with different experimental compositions (labelled as 1 and 2 for x=0.00 and labelled as 4 and 5 for x=0.10, respectively), meanwhile the darker grey phases correspond to LaSrGa{sub 3.00}O{sub 7.00} (labelled as 3 for x=0.00) and LaSr(Ga{sub 1−y′},Ni{sub y′}){sub 3.00}O{sub 7.00} (labelled as 6 for x=0.10), respectively. - Highlights: • When NiO is introduced into La{sub 0.90}Sr{sub 0.10}GaO{sub 3.00−δ} a change in symmetry is produced. • A significant Sr depletion in the A-site of perovskites treated for 48 h is observed. • Compositional deviations could be due to a thermally-activated diffusional process. • The phase purity of these materials is deteriorated when the sintering time is extended.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗