Self-decoration effect in lithium ferrite.
Self-decoration effect in thermally etched polycrystalline lithium ferrite, discussing geometric symmetry relation to crystallographic surface orientation
CRYSTAL SURFACE↗
SEARCH · Search NASA
Results for “surface orientation”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Distributed optical proximity sensor system - HexEYE
A novel optical proximity sensor system, capable of measuring the distance to the orientation and the discontinuity at a local area of an object surface, was designed and evaluated for robotic applications. The sensor system gets its name, Hexagonal Eye, (HexEYE) from its shape where seven identical hexagonal sensing units were configured hexagonally into a compact geometric structure. The seven sensing units were grouped into multiple combinations of three sensing units to measure the surface orientation as well as surface discontinuity. The distinctive features of HexEYE are an order of magnitude increased in distance sensitivity by optimizing the curvature of a conical mirror, the enhanced measurement accuracy based on multiple levels of sensor fusion, and the compactness in size due to a sensing mechanism based on the Gaussian lens law. A prototype of single sensing unit has been built and was evaluated experimentally.
Lee, Sukhan↗
Iron surface corrosion in supercritical CO2 at atomic scale investigated by molecular dynamics simulations
Understanding the corrosion behavior of steels in supercritical carbon dioxide (S-CO2) is essential for ensuring the safe application of S-CO2 as a heat-transfer fluid in high-temperature energy systems, including advanced nuclear reactors. In this work, molecular dynamics (MD) simulations using ReaxFF potential are performed to explore the atomic-scale corrosion mechanisms of body-centered cubic iron (BCC-Fe) in S-CO2. The results show that CO2 molecules in S-CO2 decompose at the Fe surface, generating free C and O atoms that form Fe-C and Fe-O bonds and subsequently produce oxides and carbides. Concurrently, Fe atoms dissolve from the surface and diffuse into the S-CO2 region, resulting in interdiffusion of Fe, C and O atoms at the interface. The corrosion-layer thickness calculations show that high pressure and temperature induced by S-CO2 have stronger effects than surface orientation on the corrosion process. In addition, surface Fe atoms undergo substantial displacement under S-CO2 exposure, further accelerating corrosion. When a radiation-induced void is introduced near the Fe surface, the corrosion is enhanced. The void-matrix interface expands the reaction surface area and simultaneously induces corrosion reactions inside the bulk, resulting in a deeper penetration of C and O and thicker corrosion layers. All these results indicate that high-temperature, high-pressure and radiation-induced voids can seriously affect the corrosion of Fe in S-CO2, and must be considered to better use S-CO2 in nuclear facilities.
Li, Wenhua↗
Differential emissivity based evaporable particle measurement
A differential emissivity imaging device for measuring evaporable particle properties can include a heated plate, a thermal camera, a memory device, and an output interface. The heated plate can have an upper surface oriented to receive falling evaporable particles. The evaporable particles have a particle emissivity and the upper surface has a plate surface emissivity. The thermal camera can be oriented to produce a thermal image of the upper surface. A memory device can include instructions that cause the imaging device to calculate a mass of the individual evaporable particle via heat conduction using a calculated surface area and an evaporation time.
Garrett, Tim↗
Atomic‐Scale Surface Imaging of Bulk Epitaxial CsPbBr 3 Perovskite Single Crystals on Mica Using Light Assisted Scanning Tunneling Microscopy at Low‐Temperature (80 K)
Epitaxial single-crystalline CsPbBr 3 perovskite films on mica, prepared ex situ, are explored using a low-temperature scanning tunneling microscope (STM) by probing the unoccupied electronic states of their surface in ultra-high vacuum (UHV) at 80 K. Light-assisted STM measurements under a broadband illumination with visible light were employed to enhance and stabilize surface conductivity. STM imaging across the surface of macroscopic bulk CsPbBr 3 films reveals large flat terraces characterized by a specific type of surface reconstruction, consisting of parallel rows of U-shaped atomic nanostructures. These structures are spaced by 12 Å and exhibit an internal feature size of 5.1 Å. Density functional theory (DFT) calculations reproduce the experimental observations and reveal a competition between different orthorhombic CsPbBr 3 (110) surface reconstructions: a Cs-rich structure, identified as the most energetically stable, and three alternative Pb–Br-rich reconstructions, which are slightly higher in energy yet remain consistent with the STM data. Additional analyses that explicitly account for the mica substrate exclude the cubic CsPbBr 3 phase and other orthorhombic surface orientations, while showing that variations in the mica surface termination do not alter the preferred CsPbBr 3 (110) reconstruction. In conclusion, this combined approach thereby confirms our assignment and resolves previous STM interpretations of CsPbBr 3 .
36 MATERIALS SCIENCE↗
Determining the Conformation of Supported Complexes Using an 17 O TEDOR-like NMR Experiment
Dynamic nuclear polarization surface-enhanced nuclear magnetic resonance (NMR) spectroscopy has enabled the determination of the three-dimensional configuration of surface sites, in particular supported metal complexes of relevance to single-site heterogeneous catalysis. These approaches have chiefly leveraged the application of NMR double-resonance experiments that either reveal the complex conformation via point-to-point intramolecular distances between spin-labeled atoms or the complex-surface orientation via distances between the spins and the surface plane. Either method typically requires expensive isotope labeling and each reports on different structural features. The application of an experiment that simultaneously reveals both types of distances with chemical resolution would be ideal. Here, in this article, we describe an 17 O{ 1 H} pseudo-3D correlation experiment that achieves this goal. Specifically, Si–O–Si and Si–O–M oxygens are well-resolved by 17 O NMR; therefore, distances can be simultaneously measured radially, between Si– 17 O–M and the 1 H’s of the ligands, and vertically to the Si– 17 O–Si linkages of the silica support. We demonstrate the experiment using supported yttrium and zirconium complexes. Good agreement is obtained when comparing the experimental results to theoretical predictions from density functional theory calculations, highlighting the reliability of this relatively simple experiment.
alkyls↗
Structurally Driven Environmental Degradation of Friction in MoS2 Films
Abstract We report an investigation of the friction mechanisms of MoS 2 thin films under changing environments and contact conditions using a variety of computational and experimental techniques. Molecular dynamics simulations were used to study the effects of water and molecular oxygen on friction and bonding of MoS 2 lamellae during initial sliding. Characterization via photoelectron emission microscopy (PEEM) and Kelvin probe force microscopy (KPFM) were used to determine work function changes in shear modified material within the top few nanometers of MoS 2 wear scars. The work function was shown to change with contact conditions and environment, and shown by density functional theory (DFT) calculations and literature reports to be correlated with lamellae size and thickness of the basally oriented surface layer. Results from nanoscale simulations and macroscale experiments suggest that the evolution of the friction behavior of MoS 2 is linked primarily to the formation or inhibition of a basally oriented, molecularly thin surface film with long-range order.
Curry, John F.↗
Lunar surface phenomena - Solar flare track gradients, microcraters, and accretionary particles
Data are presented concerning the energy spectra of solar flare particles and the distribution of particles producing submicron diameter craters. Processes which alter the albedo and possibly the chemistry of exposed lunar surfaces are also considered. Measurements are reported of solar flare track gradients in rock 64455 which is sufficiently young to have uneroded surfaces on its sides. Attention is also given to accretionary particles adhering to host surfaces, microcraters on soil particles, and microcraters on the oriented surfaces of sample 76015 from a boulder at Station 6 of the Apollo 17 site.
Blanford, G. E.↗
The metal to metal interface and its effect on adhesion and friction
The paper considers the interface between two bulk metals and the effect of this interface on adhesive bonding, resistance to tangential displacements, friction and the interfacial transport from one surface to another. Using Auger emission spectroscopy, field ion microscopy, and low energy electron diffraction techniques, the influence of surface orientation, lattice registry, crystal lattice structure and defects, metal surface chemistry and alloying on the characteristics of the interface was studied for noble, platinum, transition, and Group 4B metals. With dissimilar metals in contact, epitaxial transfer of the cohesively weaker to the cohesively stronger metal has been observed. Surface chemical activity of the noble and platinum metals is shown to affect interfacial behavior as does a valence bonding in the transition metals, and the degree of metallic nature in the Group 4B elements. Alloying elements, e.g., Si and Fe, can alter interfacial behavior by segregation to the surface of metals or by altering bulk properties such as crystal transformation kinetics.
Buckley, D. H.↗
Sputtering and native oxide formation on (110) surfaces of Cd(1-x)Mn(x)Te
Native oxides on the surface of Cd(1-x)Mn(x)Te (X between 0 and 0.7) have been analyzed on the basis of X-ray photoemission spectroscopy measurements. Depth profile analysis revealed a significant increase in the thickness at higher Mn concentrations and a strong Mn segregation to the surface, respectively. Sputter-induced damage on cleaved (110)-oriented surfaces was analyzed by photoreflectance and photoluminescence measurements. The damage was found to be larger on CdTe than on the alloy. Thermal annealing showed nearly complete restoration for the surface of the alloy, while CdTe revealed irreversible modifications in the near-surface regime upon sputtering and post annealing.
Neff, H.↗
Mars exploration study workshop 2
A year-long NASA-wide study effort has led to the development of an innovative strategy for the human exploration of Mars. The latest Mars Exploration Study Workshop 2 advanced a design reference mission (DRM) that significantly reduces the perceived high costs, complex infrastructure, and long schedules associated with previous Mars scenarios. This surface-oriented philosophy emphasizes the development of high-leveraging surface technologies in lieu of concentrating exclusively on space transportation technologies and development strategies. As a result of the DRM's balanced approach to mission and crew risk, element commonality, and technology development, human missions to Mars can be accomplished without the need for complex assembly operations in low-Earth orbit. This report, which summarizes the Mars Exploration Study Workshop held at the Ames Research Center on May 24-25, 1993, provides an overview of the status of the Mars Exploration Study, material presented at the workshop, and discussions of open items being addressed by the study team. The workshop assembled three teams of experts to discuss cost, dual-use technology, and international involvement, and to generate a working group white paper addressing these issues. The three position papers which were generated are included in section three of this publication.
Duke, Michael B.↗
Computational theory of line drawing interpretation
The recovery of the three dimensional structure of visible surfaces depicted in an image by emphasizing the role of geometric cues present in line drawings, was studied. Three key components are line classification, line interpretation, and surface interpolation. A model for three dimensional line interpretation and surface orientation was refined and a theory for the recovery of surface shape from surface marking geometry was developed. A new approach to the classification of edges was developed and implemented signatures were deduced for each of several edge types, expressed in terms of correlational properties of the image intensities in the vicinity of the edge. A computer program was developed that evaluates image edges as compared with these prototype signatures.
Witkin, A. P.↗
Expanding the design space of stratospheric aerosol geoengineering to include precipitation-based objectives and explore trade-offs
Previous climate modeling studies demonstrate the ability of feedback-regulated, stratospheric aerosol geoengineering with injection at multiple independent latitudes to meet multiple simultaneous temperature-based objectives in the presence of anthropogenic climate change. However, the impacts of climate change are not limited to rising temperatures but also include changes in precipitation, loss of sea ice, and many more; knowing how a given geoengineering strategy will affect each of these climate metrics is vital to understanding the limits and trade-offs of geoengineering. Here, we first introduce a new method of visualizing the design space in which desired climate outcomes are represented by 2-D surfaces on a 3-D graph. Surface orientations represent how different injection choices influence that objective, and intersecting surfaces represent objectives which can be met simultaneously. Using this representation as a guide, we present simulations of two new strategies for feedback-regulated aerosol injection, using the Community Earth System Model with the Whole Atmosphere Community Climate Model – CESM1(WACCM). The first simultaneously manages global mean temperature, tropical precipitation centroid, and Arctic sea ice extent, while the second manages global mean precipitation, tropical precipitation centroid, and Arctic sea ice extent. Both simulations control the tropical precipitation centroid to within 5 % of the goal, and the latter controls global mean precipitation to within 1% of the goal. Additionally, the first simulation overcompensates sea ice, while the second undercompensates sea ice; all of these results are consistent with the expectations of our design space model. In addition to showing that precipitation-based climate metrics can be managed using feedback alongside other goals, our simulations validate the utility of our design space visualization in predicting our climate model behavior under a given geoengineering strategy, and together they help illustrate the fundamental limits and trade-offs of stratospheric aerosol geoengineering.
58 GEOSCIENCES↗
A Mechanistic Study of Nucleate Boiling Under Microgravity Conditions
The overall objective of this work is to study nucleate boiling heat transfer under microgravity conditions in such a way that while providing basic knowledge of the phenomena, it also leads to development of simulation models and correlations that can be used as design tools for a wide range of gravity levels. In the study a building block type of approach is used and both pool and low velocity flow boiling are investigated. Starting with experiments using a single bubble, the complexity of the experiments is increased to two or three inline bubbles, to five bubbles placed on a two-dimensional grid. Finally, experiments are conducted where a large number of prescribed cavities nucleate on the heater and when a commercial surface is used. So far experiments have been conducted at earth normal gravity and in the reduced gravity environment of the KC-135 aircraft whereas experiments on the space station are planned. Modeling/complete numerical simulation of the boiling process is an integral part of the total effort. Experiments conducted with single bubbles formed on a nucleation site microfabricated on a polished silicon wafer show that for gravity levels (g) varying from 1.5g(sub e) to 0.01g(sub e), the bubble diameter at departure varies approximately as (g(sub e)/g)(exp 1/2) and the growth period as (g(sub e)/g). When bubbles merge either inline or in a plane, the bubble diameter at departure is found to be smaller than that obtained for a single bubble and shows a weaker dependence on the level of gravity. The possible reason is that as the bubbles merge they create fluid circulation around the bubbles, which in turn induces a lift force that is responsible for the earlier departure of the bubbles. The verification of this proposition is being sought through numerical simulations. There is a merger of two inline, three inline, and several bubbles in a plane in the low gravity environment of the KC-135 aircraft. After merger and before departure, a mushroom type of bubble with several stems attached to the heater surface is clearly evident. Local heat fluxes during growth and departure of a single bubble were also measured. It was found that during most of the growth period of the bubble, generally the wall heat flux decreased with time because of the increased dry area under the bubble. However, the heat flux increased rapidly just prior to departure of the bubble because of the transient conduction into the cold liquid rushing to fill the space vacated by the bubble as the bubble base shrinks. The measured heat fluxes at various radial locations are found to be in qualitative agreement with the numerical predictions. Single bubble studies at earth normal gravity have also been performed on surfaces oriented at different angles to the gravitational acceleration with flow parallel to the surface. It is found that in all cases the bubbles slide along the surface before lift-off from the surface. The lift force generated as a result of the relative motion between the sliding bubbles and the imposed flow is found to play an important role when the normal force due to buoyancy is reduced. An experimental apparatus for the study of the bubble behavior with imposed flow under reduced gravity conditions has been developed and will soon be employed for experiments in the KC-135 aircraft.
Dhir, V. K.↗
Progress in Planetary Radarclinometry
Efforts have continued to improve radarclinometry in spite of the fact that the theory and algorithms still predate the development of the radiometrically calibrated radar upon which they must depend in order to achieve metric precision. Such efforts help to insure the availability of the technique for data returned by the Venus Radar Mapper. Even now, compensation for layover and production of synthesized stereo enhance geologic interpretability of radar images. The theory of radarclinometry utilizes a knowledge of the relation between pixel DN value and terrain surface orientation to produce a topographic map. The process may be conceived in terms of a surface integral which develops away from a topographic profile as available ground truth. Alternatively, in consideration of the unavailability of ground truth in extraterrestrial applications, radarclinometry may develop as a line integral developing from a single point, providing reasonable assumptions about the mathematical nature of local curvature.
Wildey, R. L.↗
Structural effects of composition tuning in A-site disordered perovskite La0.5Li0.5−xMxTiO3 (M = Na, K) nanorods for fast interfacial transport for solid composite electrolyte design
Polymer-ceramic composite electrolytes (CPE) have emerged as promising replacements for currently used liquid organic electrolytes, which pose as safety hazards, in Li-ion batteries. Limits in conductivity enhancement in CPEs is often attributed to a high resistance for Li-ion transport along the interface due to the incompatibility of the polymer and ceramic phases. A clear understanding of the interfacial structure and how this impacts interfacial Li-ion transport is needed in order to efficiently design a CPE with optimal ionic conductivity. In this study, density functional theory (DFT) calculations, in conjunction with scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS), are used to unveil the bulk and surface structure of La0.5Li0.5−xMxTiO3 (M = Na, K) (LMTO) nanorods, a newly-reported ceramic system with promising applications in CPEs, and the LMTO interactions with the poly(lithium sulfonyl (trifluoromethane sulfonyl)imide methacrylate) (p(MTFSILi)) polymerized ionic liquid. Substitution of lithium for sodium and potassium onto the A-site perovskite lattice is shown to increase the stability of the preferred pseudocubic perovskite phase because of their increased cation size which allows them to reduce the TiO6 octahedral rotations in the bulk and at the surface. STEM and EELS results show that LMTO nanorods with differing compositions have Ti-enriched (110)-oriented surfaces. Increased sodium and potassium compositions in LMTO is also shown using the DFT calculations to weaken the binding of the lithium atom to the MTFSI unit when LiMTFSI is adsorbed to the LMTO surface. This weakening of lithium binding to the polymer at the LMTO interface indicates that the lithium mobility is increased, correlating to an increase in interfacial Li-ion transport. Overall, this work provides insights into how to tune the interfacial interactions between the polymer (p(MTFSI)) and ceramic (LMTO) for optimal CPE design.
Shepard, Lauren B [Pennsylvania State University, ↗
Millimeter wave surface resistance of grain-aligned Y1Ba2Cu3O(x) bulk material
Measurements are reported of the millimeter-wave surface resistance of grain-aligned YBa2Cu3O(x) bulk material grown by a liquid-phase process. The measurements were performed by replacing the endplate of a TE(011) cylindrical copper cavity with the superconducting sample. Surface resistance was measured for samples with surfaces oriented perpendicular and parallel to the c-axis of the grains. For the parallel configuration, the surface resistance at 77 K and 80 GHz is given. For a very well-aligned sample with a very low density of Y2BaCuO(y) precipitates, measured in the perpendicular configuration, the transition width (10-90 percent) is about 2 K and the surface resistance is derived at 88 K. The effect of microstructure on surface resistance is discussed.
Wosik, J.↗
No ordinary proteins: Adsorption and molecular orientation of monoclonal antibodies
The interaction of monoclonal antibodies (mAbs) with air/water interfaces plays a crucial role in their overall stability in solution. We aim to understand this behavior using pendant bubble measurements to track the dynamic tension reduction and x-ray reflectivity to obtain the electron density profiles (EDPs) at the surface. Native immunoglobulin G mAb is a rigid molecule with a flat, “Y” shape, and simulated EDPs are obtained by rotating a homology construct at the surface. Comparing simulations with experimental EDPs, we obtain surface orientation probability maps showing mAbs transition from flat-on Y-shape configurations to side-on or end-on configurations with increasing concentration. The modeling also shows the presence of β sheets at the surface. Overall, the experiments and the homology modeling elucidate the orientational phase space during different stages of adsorption of mAbs at the air/water interface. These finding will help define new strategies for the manufacture and storage of antibody-based therapeutics.
59 BASIC BIOLOGICAL SCIENCES↗