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At least 1,747 records · Page 97

The appearance of plasticity on the blocks surfaces in geological media

In present the elasticity and plasticity are absolutely different models of solids, which are not relate to each other. The experimental observations show, that the plasticity arrives and localizes on the surfaces of structures, which contain solid samples. The transition in special state, where a small part of solid volume is in plastic state, while the main part of volume is in elastic state not be describe by classical continuum Cauchy and Poisson model. This classical model requires two alternative states. Either is elastic state in the all volume or plastic one for all elementary volume too. However, the structured model of space gives us a possibility to describe this complicate state. In this paper shown that the sliding surfaces divided to each other by distances equal to the average sizes of microstructures, in the contrary of classical plasticity, where they have not characteristic distance. The energy of plastic transition is very small, because the main part of volume is elastic body. This description means the smooth transition from elasticity to plasticity in vicinity of sliding surfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High-pressure studies with x-rays using diamond anvil cells

Pressure profoundly alters all states of matter. The symbiotic development of ultrahigh-pressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials' properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and magnetic properties of materials over a wide range of pressure-temperature conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Finite-Difference Simulation for Infrasound Generated by Finite-Extent Ground Motions

Underground explosions can produce infrasound in the atmosphere, and the wavefield characteristics are often governed by the ground surface motions. Finite-difference methods are popular for infrasound simulation as their generality and robustness allow for complex atmospheric structures and surface topography. A simple point-source approximation is often used because infrasound wavelengths tend to be large relative to the source dimensions. However, this assumption may not be able to capture the complexity of explosion-induced ground motions if the surface area is not compact, and appropriate source models must be incorporated into the finite-difference simulations for accurate infrasound prediction. In this study, we develop a point source representation of the complex ground motions for infrasound sources. Instead of a single point source, we use a series of point sources distributed over the source area. These distributed point sources can be equivalent to air volume changes produced by the ground motions in the atmosphere. Further, we apply the distributed point-source method to a series of buried chemical explosions conducted during the Source Physics Experiment Phase I. Epicentral ground-motion measurements during the experiments provide a way to calculate accurate distributed point sources. We validate and evaluate the accuracy of distributed point source approach for infrasound simulations by direct comparison with acoustic observations in the field experiment.

58 GEOSCIENCES↗

Unstructured Grid Viscous Flow Simulation Over High-Speed Research Technology Concept Airplane at High-Lift Conditions

Numerical viscous solutions based on an unstructured grid methodology are presented for a candidate high-speed civil transport configuration, designated as the Technology Concept Airplane (TCA), within the High-Speed Research (HSR) program. The numerical results are obtained on a representative TCA high-lift configuration that consisted of the fuselage and the wing, with deflected full-span leading-edge and trailing-edge flaps. Typical on-and off-surface flow structures, computed at high-lift conditions appropriate for the takeoff and landing, indicated features that are generally plausible. Reasonable surface pressure correlations between the numerical results and the experimental data are obtained at free-stream Mach number M(sub infinity) = 0.25 and Reynolds number based on bar-c R(sub c) = 8 x 10(exp 6) for moderate angles of attack of 9.7 deg. and 13.5 deg. However, above and below this angle-of-attack range, the correlation between computed and measured pressure distributions starts to deteriorate over the examined angle-of-attack range. The predicted longitudinal aerodynamic characteristics are shown to correlate very well with existing experimental data across the examined angle-of-attack range. An excellent agreement is also obtained between the predicted lift-to-drag ratio and the experimental data over the examined range of flow conditions.

Ghaffari, Farhad↗

Femtosecond laser structuring of silver-containing glass: Silver redistribution, selective etching, and surface topology engineering

Femtosecond direct laser writing in silver-containing phosphate glasses allows for the three-dimensional (3D) implementation of complex photonic structures. Sample translation along or perpendicular to the direction of the beam propagation has been performed, which led to the permanent formation of fluorescent structures, either corresponding to a tubular shape or to two parallel planes at the vicinity of the interaction voxel, respectively. These optical features are related to significant modifications of the local material chemistry. Indeed, silver depletion areas with a diameter below 200 nm were evidenced at the center of the photo-produced structures while photo-produced luminescence properties are attributed to the formation of silver clusters around the multiphoton interaction voxel. The laser-triggered oxidation-reduction processes and the associated photo-induced silver redistribution are proposed to be at the origin of the observed original 3D luminescent structures. Thanks to such material structuring, surface engineering has been also demonstrated. Selective surface chemical etching of the glass has been obtained subsequently to laser writing at the location of the photo-produced structures, revealing features with nanometric depth profiles and radial dimensions strongly related to the spatial distributions of the silver clusters.

36 MATERIALS SCIENCE↗

Modified silica-based heterogeneous catalysts for etherification of glycerol

The advent of mesoporous silicas such as MCM-41 has provided new opportunities for research into supported metal catalysis. The loading of metals into framework structures and particularly into the pores of porous molecular sieves, has long been of interest because of their potential catalytic activity. Stable heterogeneous mesoporous basic catalysts were synthesized by wet impregnation of MCM-41 with calcium nitrate and lanthanum nitrate. The surface and structural properties of the prepared catalysts were characterized using BET surface analysis, SEM and TEM. MCM-41 and modified MCM-41 were used in the solventless etherification of glycerol to produce diglycerol as the desired product. The reaction was performed at 250 °C for 8 h, and catalyst activity was evaluated. Catalytic etherification over the 20%Ca{sub 1.6}La{sub 0.6}/MCM-41 catalyst resulted in the highest glycerol conversion of 91% and diglycerol yield of 43%.

36 MATERIALS SCIENCE↗

Hydrothermal synthesis of a novel non-stoichiometric cubic bismuth phosphate (Bi{sub 12}(Bi{sub 4/5–5x}P{sub 5x})O{sub 19.2+5x}) crystal and the coexistence of multilevel Kink-Terrace-Step structures on Kossel (1 0 0) surface

- Highlights: • Pure cubic phase could be synthesized at high alkalinity. • The height of the lowest kinked [0 1 0] steps was about half of the unit cell. • Multilevel Kink-Terrace-Step structures coexisted on Kossel (1 0 0) surface. • Multilevel growth units are PO{sub 4}{sup −} incorporating into the channels of Bi–O frameworks. - Abstract: Nonstoichiometric cubic bismuth phosphate crystals were synthesized and grown by hydrothermal method. Under high alkalinity condition, three dimensional nuclei were generated and combined into cubic plates. The cubic bismuth phosphate crystals were combined by the corresponding cubic plates with various defects and rough surfaces. The cubic plates made (1 0 0) surface of the crystal cleavage face. Additionally, multilevel Kink-Terrace-Step structures on Kossel (1 0 0) surface were characterized through scanning electron microscopy and atomic force microscope techniques, respectively. It revealed that the lowest level Kink-Terrace-Step structure was in nano-scale, and the height of the elemental kinked [0 1 0] steps was about half of the unit cell. The elemental kinked [0 1 0] steps could bunch together and consequently constructed a higher level of Kink-Terrace-Step structures. As a result, multilevel Kink-Terrace-Step structures coexisted on the Kossel (1 0 0) surface of bismuth phosphate crystal, which were owing to the coexistence of multilevel growth units in crystal growth system.

36 MATERIALS SCIENCE↗

Effect of solvent ratio on the optoelectronic properties of fluorine doped tin oxide thin films

Fluorine doped tin oxide (FTO) thin films were deposited on to the well cleaned microscopic glass substrates using nebulized-spray pyrolysis (n-SP) technique by varying the water to ethanol solvent proportion. The deposited thin films were characterized by X-ray diffraction (XRD), UV-Vis-NIR spectroscopy, field emission scanning electron microscopy and Hall measurements to study the structural, optical, surface morphological and electrical properties of the films, respectively. Results of the analyzes show that the films are polycrystalline, having tetragonal structure with the preferred orientation along (110) plane. The grain size varies between 7 to 20 nm. The optimized films exhibit the optical transparency of 85 % at the wavelength of 580 nm. The optical bandgap lies in the range of 3.94 to 4 eV. The optimized films, deposited with 40 % of ethanol proportion are having the mean resistivity 4.72×10{sup −3} Ω-cm, carrier concentration 1.79×10{sup 20} cm{sup 3} and the mobility 7 cm{sup 2}/Vs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spaceborne imaging radar - Geologic and oceanographic applications

Synoptic, large-area radar images of the earth's land and ocean surface, obtained from the Seasat orbiting spacecraft, show the potential for geologic mapping and for monitoring of ocean surface patterns. Structural and topographic features such as lineaments, anticlines, folds and domes, drainage patterns, stratification, and roughness units can be mapped. Ocean surface waves, internal waves, current boundaries, and large-scale eddies have been observed in numerous images taken by the Seasat imaging radar. This article gives an illustrated overview of these applications.

Elachi, C.↗

Impact ionization of excitons in Ge/Si structures with Ge quantum dots grown on the oxidized Si(100) surfaces

Photoconductivity (PC) of Si/Ge structures with Ge quantum dots (QDs) grown on the Si(100) surfaces covered with the ultrathin, about 0.3–0.5 nm thick, SiO{sub 2} films is studied as a function of the interband light intensity under various lateral voltages. The structures exhibit PC with steps and a step with a peak at the step edge for low- and high-temperature grown structures, respectively. These PC features are associated with the impact ionization of QD-related excitons. The PC at step edges increases by several orders of magnitude for a certain value which is governed by the balance between rates of photo-generation, recombination, and impact ionization of excitons. The electron localization deeper in Si from the Ge QD layer in conjunction with a narrow binding-energy distribution of excitons is suggested to be the main reason that provides the sharpness of PC steps. The PC appears to be very sensitive to the impact ionization and QD preparation conditions. This allows revealing the specific characteristics of QD structures, related to their electronic and structural properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Off-Stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane

Boron-containing materials, such as hexagonal boron nitride (h-BN), recently shown to be active and selective catalysts for the oxidative dehydrogenation of propane (ODHP), have been shown to undergo significant surface oxyfunctionalization and restructuring. Although experimental ex situ studies have probed the change in chemical environment on the surface, the structural evolution of it under varying reaction conditions has not been established. Herein, we perform global optimization structure search with a grand canonical genetic algorithm to explore the chemical space of off-stoichiometric restructuring of the h-BN surface under ambient as well as ODHP-relevant conditions. A grand canonical ensemble representation of the surface is established, and the predicted 11B solid-state NMR spectra are consistent with previous experimental reports. In addition, we investigated the relative sliding of h-BN sheets and how it influences the surface chemistry with ab initio molecular dynamics simulations. Furthermore, the B–O linkages on the edges are found to be significantly strained during the sliding, causing the metastable sliding configurations to have higher reactivity toward the activation of propane and water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ab initio density functional theory study of non-polar (101{sup ¯}0), (112{sup ¯}0) and semipolar (202{sup ¯}1) GaN surfaces

The atomic structures of non-polar GaN(101{sup ¯}0), (112{sup ¯}0) and semipolar GaN(202{sup ¯}1), (202{sup ¯}1{sup ¯}) surfaces were studied using ab initio calculations within density functional theory. The bulk-like truncated (1 × 1) structure with buckled Ga-N or Ga-Ga dimers was found stable on the non-polar GaN(101{sup ¯}0) surface in agreement with previous works. Ga-N heterodimers were found energetically stable on the GaN(112{sup ¯}0)-(1 × 1) surface. The formation of vacancies and substitution site defects was found unfavorable for non-polar GaN surfaces. Semipolar GaN(202{sup ¯}1)-(1 × 1) surface unit cells consist of non-polar (101{sup ¯}0) and semipolar (101{sup ¯}1) nano-facets. The (101{sup ¯}1) nano-facets consist of two-fold coordinated atoms, which form N-N dimers within a (2 × 1) surface unit cell on a GaN(202{sup ¯}1) surface. Dimers are not formed on the GaN(202{sup ¯}1{sup ¯}) surface. The stability of the surfaces with single (101{sup ¯}0) or (101{sup ¯}1) nano-facets was analyzed. A single non-polar (101{sup ¯}0)-(1 × 1) nano-facet was found stable on the GaN(202{sup ¯}1) surface, but unstable on the GaN(202{sup ¯}1{sup ¯}) surface. A single (101{sup ¯}1) nano-facet was found unstable. Semipolar GaN surfaces with (202{sup ¯}1) and (202{sup ¯}1{sup ¯}) polarity can be stabilized with a Ga overlayer at Ga-rich experimental conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multifunctional Effect of Fe Substitution in Na Layered Cathode Materials for Enhanced Storage Stability

In this study, developing stable cathode materials that are resistant to storage degradation is essential for practical development and industrial processing of Na-ion batteries, as many sodium layered oxide materials are susceptible to hygroscopicity and instability when exposed to ambient air. Among the various layered compounds, Fe-substituted O 3 -type Na(Ni 1/2 Mn 1/2 ) 1-x Fe x O 2 materials have emerged as a promising option for high-performance and low-cost cathodes. While previous reports have noted the decent air-storage stability of these materials, the role and origin of Fe substitution in improving storage stability remain unclear. In this study, we investigate the air resistant effect of Fe substitution in O 3 -Na(Ni 1/2 Mn 1/2 ) 1-x Fe x O 2 cathode materials by performing systematic surface and structural characterizations. We find that the improved storage stability can be attributed to the multifunctional effect of Fe substitution, which forms a surface protective layer containing an Fe-incorporated spinel phase and decreases the thermodynamical driving force for bulk chemical sodium extraction. With these mechanisms, the Fe-containing cathodes can suppress the cascades of cathode degradation processes and better retain the electrochemical performance after air storage.

25 ENERGY STORAGE↗

Optimization of Triply Periodic Minimal Surface Heat Exchanger to Achieve Compactness, High Efficiency, and Low-Pressure Drop

With advancements in additive manufacturing (AM) techniques, high-quality triply periodic minimal surface (TPMS) structures can now be produced. TPMS walled heat exchangers (HX) hold significant potential for industrial applications and are receiving increasing attention. This paper explores the impact of various TPMS design variables on flow and thermal performance to optimize TPMS heat exchangers for compactness, high efficiency, and low pressure drop. The design variables examined include the type of TPMS lattice, unit cell size, wall thickness, aspect ratio, TPMS orientation, and equivalent thickness. The study reveals that the flow and heat transfer performance of TPMS structures are significantly affected by these design variables. For the Gyroid, Diamond, and SplitP lattices, performance is nearly identical when the surface-to-volume ratio is kept constant. The average velocity of the fluid in the TPMS HX should be 0.3 m/s. The corresponding Re is between 300~800. Thin wall thickness, small equivalent thickness, and flat lattice configurations can significantly reduce pressure drop while maintaining the overall heat transfer coefficient. Additionally, the angle between the flow direction and TPMS orientation can increase pressure drop. Three aluminum heat exchangers were successfully printed using an AM machine, and testing results are comparable with theoretical prediction.

42 ENGINEERING↗

Seismoball: A Small Europa Orbiter Drop-Off Probe for Early Exploration of the Europan Surface

Recent magnetometry data received from Galileo indicate that the most likely explanation for the magnetic signature there is indeed a global conducting layer below the surface. This conducting layer is well matched by a salty, mineral rich strata beneath the Europan ice crust or a salt water ocean. Galileo imaging results show a variety of terrain types thought to contain young material; for example, lineaments, chaotic terrain, and eruption features. Additionally, Galileo images have shown indications of areas of up-welling where subsurface material periodically gets pushed to the surface due to the forces of fracturing, butting, and refreezing of the ice sheet. While Europa Orbiter will provide close-flyby high resolution images, as well as magnetometry, spectroscopy and other remote sensing data of the surface, it will not be able to provide essential engineering data like surface hardness and surface ice structure needed to support eventual landed missions. Additionally, ice chemical composition at microscopic scales can only be studied in detail through in situ instrumentation. Seismoball is a small probe designed to be injected into a surface intersect orbit around Europa. Using small reverse thrusters, the probe will be capable of nulling the high horizontal injection velocity as it approaches the 2 km surface injection altitude, thus allowing it to fall to the surface at an impact velocity of < 100m/sec (much less than the DS-2 impact velocities). The external breakaway thruster structure and crushable exterior shell absorb the impact energy while allowing the science instrument suite to remain intact. JPL has already started analyzing the entry dynamics and designing/building a small, low mass probe which will withstand the impact g-forces and fit as a 'carry-on' on board the Europa Orbiter. The probe will carry a suite of 5-6 micro-instruments for imaging the surface (both microscopic and far-field), surface and shallow subsurface ice temperatures, surface hardness, crustal dynamics and periodicity, and compositional chemistry. If selected, this flight development activity will provide a unique science opportunity and adjunct to the primary Orbiter science mission. The final flight system will be designed to accommodate orbiter mass, volume, and power interface constraints, as well as entry dynamics, g-load mitigation, and arbitrary landing orientation.

Tamppari, L.↗

The role of SO{sub 4}{sup 2−} surface distribution in arsenic removal by iron oxy-hydroxides

This study investigates the contribution of chemisorbed SO{sub 4}{sup 2−} in improving arsenic removal properties of iron oxy-hydroxides through an ion-exchange mechanism. An analytical methodology was developed for the accurate quantification of sulfate ion (SO{sub 4}{sup 2−}) distribution onto the surface and structural compartments of iron oxy-hydroxides synthesized by FeSO{sub 4} precipitation. The procedure is based on the sequential determination of SO{sub 4}{sup 2−} presence in the diffuse and Stern layers, and the structure of these materials as defined by the sulfate-rich environments during the reaction and the variation in acidity (pH 3–12). Physically sorbed SO{sub 4}{sup 2−}, extracted in distilled water, and physically/chemically adsorbed ions on the oxy-hydroxide's surface leached by a 5 mM NaOH solution, were determined using ion chromatography. Total sulfate content was gravimetrically measured by precipitation as BaSO{sub 4}. To validate the suggested method, results were verified by X-ray photoelectron and Fourier-transformed infrared spectroscopy. Results showed that low precipitation pH-values favor the incorporation of sulfate ions into the structure and the inner double layer, while under alkaline conditions ions shift to the diffuse layer. - Graphical abstract: An analytical methodology for the accurate quantification of sulfate ions (SO{sub 4}{sup 2−}) distribution onto the diffuse layer, the Stern layer and the structure of iron oxy-hydroxides used as arsenic removal agents. - Highlights: • Quantification of sulfate ions presence in FeOOH surface compartments. • Preparation pH defines the distribution of sulfates. • XPS and FTIR verify the presence of SO{sub 4}{sup 2−} in the structure, the Stern layer the diffuse layer of FeOOH. • Chemically adsorbed sulfates control the arsenic removal efficiency of iron oxyhydroxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Direct simulation Monte Carlo and Navier-Stokes simulations of blunt body wake flows

Numerical results obtained with direct simulation Monte Carlo and Navier-Stokes methods are presented for a Mach-20 nitrogen flow about a 70-deg blunted cone. The flow conditions simulated are those that can be obtained in existing low-density hypersonic wind tunnels. Three sets of flow conditions are considered with freestream Knudsen numbers ranging from 0.03 to 0.001. The focus is on the wake structure: how the wake structure changes as a function of rare faction, what the afterbody levels of heating are, and to what limits the continuum models are realistic as rarefunction in the wake is progressively increased. Calculations are made with and without an afterbody sting. Results for the afterbody sting are emphasized in anticipation of an experimental study for the current flow conditions and model configuration. The Navier-Stokes calculations were made with and without slip boundary conditions. Comparisons of the results obtained with the two simulation methodologies are made for both flowfield structure and surface quantities.

WAKE STRUCTURE↗

Evolution Of Lattice Structure And Chemical Composition Of The Surface Reconstruction Layer In Li1.2Ni0.2Mn0.6O2 Cathode Material For Lithium Ion Batteries

Voltage and capacity fading of layer structured lithium and manganese rich (LMR) transition metal oxide is directly related to the structural and composition evolution of the material during the cycling of the battery. However, understanding such evolution at atomic level remains elusive. Based on atomic level structural imaging, elemental mapping of the pristine and cycled samples and density functional theory calculations, it is found that accompanying the hoping of Li ions is the simultaneous migration of Ni ions towards the surface from the bulk lattice, leading to the gradual depletion of Ni in the bulk lattice and thickening of a Ni enriched surface reconstruction layer (SRL). Furthermore, Ni and Mn also exhibit concentration partitions within the thin layer of SRL in the cycled samples where Ni is almost depleted at the very surface of the SRL, indicating the preferential dissolution of Ni ions in the electrolyte. Accompanying the elemental composition evolution, significant structural evolution is also observed and identified as a sequential phase transition of C2/m →I41→Spinel. For the first time, it is found that the surface facet terminated with pure cation is more stable than that with a mixture of cation and anion. These findings firmly established how the elemental species in the lattice of LMR cathode transfer from the bulk lattice to surface layer and further into the electrolyte, clarifying the long standing confusion and debate on the structure and chemistry of the surface layer and their correlation with the voltage fading and capacity decaying of LMR cathode. Therefore, this work provides critical insights for designing of cathode materials with both high capacity and voltage stability during cycling.

Environmental Molecular Sciences Laboratory↗