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At least 829 records · Page 46

Dynamics of electromechanical flow structures.

Free-surface gravity flows and capillary wicking provide examples of flow structures with fluid partially ducted at free surfaces by external forces. Wall-less electromechanical flow structures are developed which have a similar nature, but with polarization forces providing the orientation at free surfaces. Like their mechanical counterparts, these have the ability to ingest liquid or expel vapor through their walls. The structures consist of electrodes running in the flow direction z with slowly varying cross sections in a plane transverse to the flow. A formulation is given of the long-wave nonlinear (principal mode) dynamics, with use made of energy functions to represent a broad class of possible mechanical and electrical structure geometries.

Jones, T. B., Jr.↗

Analytical Simulations of Energy-Absorbing Impact Spheres for a Mars Sample Return Earth Entry Vehicle

Nonlinear dynamic finite element simulations were performed to aid in the design of an energy-absorbing impact sphere for a passive Earth Entry Vehicle (EEV) that is a possible architecture for the Mars Sample Return (MSR) mission. The MSR EEV concept uses an entry capsule and energy-absorbing impact sphere designed to contain and limit the acceleration of collected samples during Earth impact without a parachute. The spherical shaped impact sphere is composed of solid hexagonal and pentagonal foam-filled cells with hybrid composite, graphite-epoxy/Kevlar cell walls. Collected Martian samples will fit inside a smaller spherical sample container at the center of the EEV's cellular structure. Comparisons were made of analytical results obtained using MSC.Dytran with test results obtained from impact tests performed at NASA Langley Research Center for impact velocities from 30 to 40 m/s. Acceleration, velocity, and deformation results compared well with the test results. The correlated finite element model was then used for simulations of various off-nominal impact scenarios. Off-nominal simulations at an impact velocity of 40 m/s included a rotated cellular structure impact onto a flat surface, a cellular structure impact onto an angled surface, and a cellular structure impact onto the corner of a step.

Billings, Marcus Dwight↗

Structural disorder-driven topological phase transition in noncentrosymmetric BiTeI

In this work, we investigate using local structural disorder to induce a topologically nontrivial phase in a solid state system. Using first-principles calculations, we introduce structural disorder in the trivial insulator BiTeI and observe the emergence of a topological insulating phase. By modifying the bonding environments, the crystal-field splitting is enhanced, with spin-orbit interactions producing a band inversion in the bulk electronic structure. Analysis of the Wannier charge centers and the surface electronic structure reveals a strong topological insulator with Dirac surface states. Finally, we propose a prescription for inducing topological states from disorder in crystalline materials. Understanding how local environments produce topological phases is a key step for predicting disordered and amorphous topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

BEAST DB: Grand-Canonical Database of Electrocatalyst Properties

We present BEAST DB, an open-source database comprised of ab initio electrochemical data computed using grand-canonical density functional theory in implicit solvent at consistent calculation parameters. The database contains over 20,000 surface calculations and covers a broad set of heterogeneous catalyst materials and electrochemical reactions. Calculations were performed at self-consistent fixed potential as well as constant charge to facilitate comparisons to the computational hydrogen electrode. This article presents common use cases of the database to rationalize trends in catalyst activity, screen catalyst material spaces, understand elementary mechanistic steps, analyze the electronic structure, and train machine learning models to predict higher fidelity properties. Users can interact graphically with the database by querying for individual calculations to gain a granular understanding of reaction steps or by querying for an entire reaction pathway on a given material using an interactive reaction pathway tool. BEAST DB will be periodically updated, with planned future updates to include advanced electronic structure data, surface speciation studies, and greater reaction coverage.

database↗

Valence transition and termination-dependent surface states in the topological Kondo semimetal YbPtBi

Here, the Yb-terminated and Bi-terminated (111) surface electronic structure of topological Kondo semimetal YbPtBi is investigated using both density-functional-theory (DFT) -based calculations and angle-resolved photoemission spectroscopy (ARPES). The cleavage plane is found to be between Yb-layers and Bi-layers in both experiment and theory, and the broken inversion symmetry ensures the Yb-terminated surface does not mix with the Bi-terminated surface. The ARPES results at the Bi-terminated surface are similar to those reported for YPtBi or LuPtBi, and they can be well explained using DFT calculations assuming trivalent Yb atoms. In contrast, at the Yb-terminated surface, a trivalent to divalent transition and reduced hybridization with conduction electrons for the topmost Yb atoms are observed, as a result of reduced bonding with Bi-atoms. In addition, the Fermi arc features induced by the triply degenerate-points, which are missing at the Bi-terminated surface, can be identified at the Yb-terminated surface. Our study demonstrates unambiguously the reconstruction of surface electronic structure due to the valence transition of the lanthanide element in a Kondo lattice system.

36 MATERIALS SCIENCE↗

Enhancing Low-Temperature Syngas Production via Surface Tailoring of Supported Intermetallic Nanocatalysts

An active and coke-resistant silica-encapsulated intermetallic Ni 3 Zn nanoparticle catalyst was developed for low-temperature (450 °C) dry reforming of methane (DRM). The catalyst exhibited a remarkable 4-fold increase in activity (4.5 s –1 ) with over 99% CO selectivity and 3 orders of magnitude less carbonaceous species and demonstrated remarkable stability (70 h) compared to that of a monometallic Ni catalyst. Here, the key is the combined effect of surface ensemble structure and electronic interaction modulation through the surface composition tailoring achieved by off-stoichiometric Ni and Zn loading in controlling surface chemistry for achieving different activities and H 2 /CO ratios. Characterized by ion spectroscopy, X-ray photoelectron spectroscopy, and the neutron pair distribution function, it was revealed that paired Ni δ – –Zn δ+ active sites are crucial for DRM. Transient infrared spectroscopy and isotopic analysis uncovered the synergistic effect of Ni δ – –Zn δ+ sites in activating C–H bonds and dissociating CO 2 to prevent coke formation under low-temperature conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Absence of a Dirac gap in ferromagnetic Cr x (Bi 0.1 Sb 0.9 ) 2-x Te 3

Magnetism breaks the time-reversal symmetry expected to open a Dirac gap in 3D topological insulators that consequently leads to the quantum anomalous Hall effect. The most common approach of inducing a ferromagnetic state is by doping magnetic 3d elements into the bulk of 3D topological insulators. In Cr 0.15 (Bi 0.1 Sb 0.9 ) 1.85 Te 3 , the material where the quantum anomalous Hall effect was initially discovered at temperatures much lower than the ferromagnetic transition, T C , the scanning tunneling microscopy studies have reported a large Dirac gap of ~20–100 meV. The discrepancy between the low temperature of quantum anomalous Hall effect (< C ) and large spectroscopic Dirac gaps (>>T C ) found in magnetic topological insulators remains puzzling. Here, we used angle-resolved photoemission spectroscopy to study the surface electronic structure of the pristine and potassium doped surface of Cr 0.15 (Bi 0.1 Sb 0.9 ) 1.85 Te 3 . Upon potassium deposition, the p-type surface state of the pristine sample was turned into an n-type, allowing the spectroscopic observation of Dirac point. Finally, we find a gapless surface state, with no evidence of a large Dirac gap reported in tunneling studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Characterizing the Small Scale Structure in Clusters of Galaxies

We have applied a wavelet transform analysis to quantify the small-scale (less than a few arcminutes) X-ray structure of clusters of galaxies to several clusters. Three of these clusters show interesting structure. In addition to the small scale structure in surface brightness, we have searched for temperature structure using Advanced Satellite for Cosmology and Astrophysics (ASCA) observations. For A754, we find a filamentary structure, similar to that previously detected in A85. For A119, we find small scale structure associated with both cool and hot regions with a hot filament extending to the northeast. For A1750, one of the first clusters to show substructure from Einstein, we have a rederived the substructure from the ROSAT observations. The ASCA observations show a hot region between the two small scale features - sub-clusters. The hot region shows that the two subclusters are merging and producing a shock wave at the leading edge of the interaction. This analysis had been applied to a sample of 17 clusters to determine the radial distribution of substructure in a sample. The number of detected substructures was rather small and it was decided to select a different cluster sample at larger redshift. This provided a larger radial range over which substructure could be detected. This new cluster sample also includes about 20 clusters and is being analyzed. Finally, we are considering how to compare the substructure parameters of nearby clusters with a more distant sample to see if one can extract cosmological information. Since substructure frequency should depend on the cosmological density parameter, it may be possible to derive new constraints by comparing nearby and distant clusters.

Forman, William R.↗

Giant Undulations Driven by Pitch‐Angle Scattering of Time Domain Structures Modulated by Plasmapause Surface Wave

Abstract Plasmapause surface waves (PSWs) near the plasmapause boundary are regarded to be the magnetospheric source of ionospheric auroral giant undulations (GUs) located at the equatorward boundary of diffuse aurora. However, the observational evidence of wave‐particle interaction connecting PSWs and GUs is absent. In this letter, we demonstrate GUs are driven by pitch‐angle scattering of time domain structures modulated by the PSWs, based on the conjugated ionospheric and magnetospheric observations. Specifically, ionospheric GUs are lighted by the pitch‐angle scattering of <1 keV thermal electron and ions and energetic ions with energy up to dozens of keV near the plasmapause. Further, the total fluxes during one PSW period and energy of scattered electron and ions determine the size and luminosity of GUs. Our research provides observational evidence that PSWs cause periodic electron precipitation via modulating the time domain structures rather than the previously predicted chorus or electron cyclotron harmonic waves.

Zhou, Yi‐Jia [Weihai Institute for Interdisciplina↗

Structure and functions of fungal cell surfaces

A review with 24 references on the biochemistry, molecular structure, and function of cell surfaces of fungi, especially dermatophytes: the chemistry and structure of the cell wall, the effect of polyene antibiotics on the morphology and function of cytoplasmic membranes, and the chemical structure and function of pigments produced by various fungi are discussed.

Nozawa, Y.↗

Laser Surface Preparation and Bonding of Aerospace Structural Composites

Adhesive bonds are critical to the integrity of built-up structures. Disbonds can often be detected but the strength of adhesion between surfaces in contact is not obtainable without destructive testing. Typically the number one problem in a bonded structure is surface contamination, and by extension, surface preparation. Standard surface preparation techniques, including grit blasting, manual abrasion, and peel ply, are not ideal because of variations in their application. Etching of carbon fiber reinforced plastic (CFRP) panels using a neodymium-doped yttrium aluminum garnet (Nd:YAG) laser appears to be a highly precise and promising way to both clean a composite surface prior to bonding and provide a bond-promoting patterned surface akin to peel ply without the inherent drawbacks from the same (i.e., debris and curvature). CFRP surfaces prepared using laser patterns conducive to adhesive bonding were compared to typical prebonding surface treatments through optical microscopy, contact angle goniometry, and post-bonding mechanical testing.

Belcher, M. A.↗

Peptide Control of Electrocatalyst Surface Environment and Catalyst Structure: A Design Platform to Enable Mechanistic Understanding and Synthesis of Active and Selective N2 Reduction Catalysts

Low-temperature electrochemical ammonia synthesis with heterogeneous catalysts suffers from extremely low Faradaic efficiencies (< 1%). The hydrogen evolution reaction (HER) is predicted and experimentally demonstrated to outcompete the nitrogen reduction reaction (N2RR). Meanwhile, the nitrogenase enzymes found in nature enable selective N2RR at Fe/Mo metal centers. Montoya and co-authors suggest that a successful transition metal N2RR catalyst will deviate from or completely circumvent current linear scaling relationships. We propose an approach where short-chain peptides (3-20 amino acids) will be used to control the local surface environment of catalysts. This peptide-based design strategy will be used to overcome HER selectivity and the limitations of *NxHy adsorbate scaling.

08 HYDROGEN↗

Heat pipe and surface mass transfer cooling of hypersonic vehicle structures

The problem of determining the feasibility of cooling hypersonic vehicle leading-edge structures exposed to severe aerodynamic surface heating using heat pipe and mass transfer cooling techniques is addressed. A description is presented of a numerical finite-difference-based hypersonic leading-edge cooling model incorporating poststartup liquid metal heat pipe cooling with surface transpiration and film cooling to predict the transient structural temperature distributions and maximum surface temperatures of hypersonic vehicle leading edge. An application of this model to the transient cooling of a typical aerospace plane wing leading-edge section. The results of this application indicated that liquid metal heat pipe cooling alone is insufficient to maintain surface temperatures below an assumed maximum level of 1800 K for about one-third of a typical aerospace plane ascent trajectory through the earth's atmosphere.

Colwell, Gene T.↗

Directed Illumination of Sunlight Collimated and Observed Beneath A Lunar Lander (DISCOBaLL): Structured Illumination for a Lunar Surface Photogrammetry System

A lighting system has been developed to provide structured illumination allowing photogrammetry to be performed during and after landing on extraterrestrial bodies. The system, known as Directed Illumination of Sunlight Collimated and Observed Beneath a Lunar Lander (DISCOBaLL), provides patterned lighting suitable for two- and multiple-camera photogrammetry, allowing several different measurements to be obtained including pre-landing terrain shape, visualization and localization of the ejecta sheet during landing, and post-landing terrain shape enabling quantitative measurement of plume-induced cratering. The paper explains the methodology of designing the DISCOBaLL, describes multiple prototypes, and shows the performance of these prototypes using actual solar radiation in a laboratory setting.

Plume-Surface Interaction↗

Directed Illumination of Sunlight Collimated and Observed Beneath a Lunar Lander (DISCOBaLL): Structured Illumination For a Lunar Surface Photogrammetry System

A lighting system has been developed to provide structured illumination allowing photogrammetry to be performed during and after landing on extraterrestrial bodies. The system, known as Directed Illumination of Sunlight Collimated and Observed Beneath a Lunar Lander (DISCOBaLL), provides patterned lighting suitable for two- and multiple-camera photogrammetry, allowing several different measurements to be obtained including pre-landing terrain shape, visualization and localization of the ejecta sheet during landing, and post-landing terrain shape enabling quantitative measurement of plume-induced cratering. The paper explains the methodology of designing the DISCOBaLL, describes multiple prototypes, and shows the performance of these prototypes using actual solar radiation in a laboratory setting.

Lunar Regolith↗

Reliability Sensitivity Analysis and Design Optimization of Composite Structures Based on Response Surface Methodology

This report discusses the development and application of two alternative strategies in the form of global and sequential local response surface (RS) techniques for the solution of reliability-based optimization (RBO) problems. The problem of a thin-walled composite circular cylinder under axial buckling instability is used as a demonstrative example. In this case, the global technique uses a single second-order RS model to estimate the axial buckling load over the entire feasible design space (FDS) whereas the local technique uses multiple first-order RS models with each applied to a small subregion of FDS. Alternative methods for the calculation of unknown coefficients in each RS model are explored prior to the solution of the optimization problem. The example RBO problem is formulated as a function of 23 uncorrelated random variables that include material properties, thickness and orientation angle of each ply, cylinder diameter and length, as well as the applied load. The mean values of the 8 ply thicknesses are treated as independent design variables. While the coefficients of variation of all random variables are held fixed, the standard deviations of ply thicknesses can vary during the optimization process as a result of changes in the design variables. The structural reliability analysis is based on the first-order reliability method with reliability index treated as the design constraint. In addition to the probabilistic sensitivity analysis of reliability index, the results of the RBO problem are presented for different combinations of cylinder length and diameter and laminate ply patterns. The two strategies are found to produce similar results in terms of accuracy with the sequential local RS technique having a considerably better computational efficiency.

Rais-Rohani, Masoud↗