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At least 865 records · Page 48

Surface reconstructions in molecular beam epitaxy of SrTiO{sub 3}

We show that reflection high-energy electron diffraction (RHEED) can be used as a highly sensitive tool to track surface and resulting film stoichiometry in adsorption-limited molecular beam epitaxy of (001) SrTiO{sub 3} thin films. Even under growth conditions that yield films with a lattice parameter that is identical to that of stoichiometric bulk crystals within the detection limit of high-resolution x-ray diffraction (XRD), changes in surface reconstruction occur from (1 × 1) to (2 × 1) to c(4 × 4) as the equivalent beam pressure of the Ti metalorganic source is increased. These surface reconstructions are correlated with a shift from mixed SrO/TiO{sub 2} termination to pure TiO{sub 2} termination. The crossover to TiO{sub 2} surface termination is also apparent in a phase shift in RHEED oscillations observed at the beginning of growth. Comparison with prior results for carrier mobilities of doped films shows that the best films are grown under conditions of a TiO{sub 2}-saturated surface [c(4 × 4) reconstruction] within the XRD growth window.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Air transparent soundproof window

A soundproof window or wall which is transparent to airflow is presented. The design is based on two wave theories: the theory of diffraction and the theory of acoustic metamaterials. It consists of a three-dimensional array of strong diffraction-type resonators with many holes centered on each individual resonator. The negative effective bulk modulus of the resonators produces evanescent wave, and at the same time the air holes with subwavelength diameter existed on the surfaces of the window for macroscopic air ventilation. The acoustic performance levels of two soundproof windows with air holes of 20mm and 50mm diameters were measured. The sound level was reduced by about 30 - 35dB in the frequency range of 400 - 5,000Hz with the 20mm window, and by about 20 - 35dB in the frequency range of 700 - 2,200Hz with the 50mm window. Multi stop-band was created by the multi-layers of the window. The attenuation length or the thickness of the window was limited by background noise. The effectiveness of the soundproof window with airflow was demonstrated by a real installation.

36 MATERIALS SCIENCE↗

In situ potassium and hydrogen ion exchange into a cubic zirconium silicate microporous material

The selective separation of ions from aqueous systems, and even in the human body, is a crucial to overall environmental management and health. Nanoporous materials are widely known for their selective removal of cations from aqueous media, and therefore have been targeted for use as a pharmaceutical to treat hyperkalemia. This study investigated the detailed crystallographic molecular mechanisms that control the potassium ion selectivity in the nanoporous cubic zirconium silicate (CZS) related materials. Using time-resolved in situ Raman spectroscopy and time-resolved in situ X-ray diffraction, the selectivity mechanisms were determined to involve a synchronous cation-cation repulsion process that serves to open a favorable coordination bonding environment for potassium, not unlike the ion selectivity filter process found in potassium ion channels in proteins. Enhancement of ion exchange was observed when the CZS material was in a partial protonated state (≈3:1 Na:H), causing an expansion of the unit-cell volume, enlargement of the 7 member-ring window, and distortion of framework polyhedra, which allowed increased accessibility to the cage structures and resulted in rapid irreversible potassium ion exchange.

59 BASIC BIOLOGICAL SCIENCES↗

Machine Learning-Based Identification of the Interface Regions for Coupling Local and Nonlocal Models

Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. However, the coupling process can be challenging, requiring expertise to identify the interface between local and nonlocal regions. Here, this study introduces a machine learning-based approach to automatically detect the regions in which the local and nonlocal models should be used. The method uses loading functions evaluated at grid points to decide the model selection at those points. Training of the networks is based on datasets provided by classes of loading functions for which reference coupling configurations are computed using accurate coupled solutions, where accuracy is measured in terms of the relative error between the solution to the coupling approach and the solution to the nonlocal model. We study two approaches that vary in data structure. The first, the full-domain input data approach, uses the entire load vector and outputs a complete label vector, performing a global classification. The second, a window-based approach, processes loads into windows and addresses the problem as a node-wise classification where each window's central point is classified individually. The classification problems are solved via deep learning algorithms based on convolutional neural networks. The performance of these approaches is studied on one-dimensional numerical examples using F1-scores and accuracy metrics. Notably, the windowing approach achieves an accuracy of 0.96 and an F1-score of 0.97, highlighting its potential to automate coupling processes effectively and enhance computational efficiency in material science applications.

97 MATHEMATICS AND COMPUTING↗

Mosaic Transparent Armor System Final Report CRADA No. TC02162.0

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and The Protective Group, Inc. (TPG) to improve the performance of the mosaic transparent armor system (MTAS) for transparent armor applications, military and civilian. LLNL was to provide the unique MTAS technology and designs to TPG for innovative construction and ballistic testing of improvements needed for current and near future application of the armor windows on vehicles and aircraft. The goal of the project was to advance the technology of MTAS to the point that these mosaic transparent windows would be introduced and commercially manufactured for military vehicles and aircraft.

36 MATERIALS SCIENCE↗

PSIDD3: Post-Scan Ultrasonic Data Display System for the Windows-Based PC Including Fuzzy Logic Analysis

Post-Scan Interactive Data Display (PSIDD) III is a user-oriented Windows-based system that facilitates the display and comparison of ultrasonic contact data. The system is optimized to compare ultrasonic measurements made at different locations within a material or at different stages of material degradation. PSIDD III provides complete analysis of the primary wave forms in the time and frequency domains along with the calculation of several frequency dependent properties including Phase Velocity and Attenuation Coefficient and several frequency independent properties, like the Cross Correlation Velocity. The system allows image generation on all of the frequency dependent properties at any available frequency (limited by the bandwidth used in the scans) and on any of the frequency independent properties. From ultrasonic contact scans, areas of interest on an image can be studied with regard to underlying raw waveforms and derived ultrasonic properties by simply selecting the point on the image. The system offers various modes of in-depth comparison between scan points. Up to five scan points can be selected for comparative analysis at once. The system was developed with Borland Delphi software (Visual Pascal) and is based on a SQL database. It is ideal for classification of material properties, or location of microstructure variations in materials.

Lovelace, Jeffrey J.↗

Universal Responses of Cyclic-Oxidation Models Studied

Oxidation is an important degradation process for materials operating in the high-temperature air or oxygen environments typical of jet turbine or rocket engines. Reaction of the combustion gases with the component material forms surface layer scales during these oxidative exposures. Typically, the instantaneous rate of reaction is inversely proportional to the existing scale thickness, giving rise to parabolic kinetics. However, more realistic applications entail periodic startup and shutdown. Some scale spallation may occur upon cooling, resulting in loss of the protective diffusion barrier provided by a fully intact scale. Upon reheating, the component will experience accelerated oxidation due to this spallation. Cyclic-oxidation testing has, therefore, been a mainstay of characterization and performance ranking for high-temperature materials. Models simulate this process by calculating how a scale spalls upon cooling and regrows upon heating (refs. 1 to 3). Recently released NASA software (COSP for Windows) allows researchers to specify a uniform layer or discrete segments of spallation (ref. 4). Families of model curves exhibit consistent regularity and trends with input parameters, and characteristic features have been empirically described in terms of these parameters. Although much insight has been gained from experimental and model curves, no equation has been derived that can describe this behavior explicitly as functions of the key oxidation parameters.

Smialek, James L.↗

Development of Field-Controlled Smart Optic Materials (ScN, AlN) with Rare Earth Dopants

The purpose of this investigation is to develop the fundamental materials and fabrication technology for field-controlled spectrally active optics that are essential for industry, NASA, and DOD applications such as: membrane optics, filters for LIDARs, windows for sensors, telescopes, spectroscopes, cameras, flat-panel displays, etc. ScN and AlN thin films were fabricated on c-axis Sapphire (0001) or quartz substrate with the RF and DC magnetron sputtering. The crystal structure of AlN in fcc (rocksalt) and hcp (wurtzite) were controlled. Advanced electrical characterizations were performed, including I-V and Hall Effect Measurement. ScN film has a free carrier density of 5.8 x 10(exp 20)/per cubic centimeter and a conductivity of 1.1 x 10(exp 3) per centimeter. The background ntype conductivity of as-grown ScN has enough free electrons that can readily interact with the photons. The high density of free electrons and relatively low mobility indicate that these films contain a high level of shallow donors as well as deep levels. Also, the UV-Vis spectrum of ScN and AlN thin films with rare earth elements (Er or Ho) were measured at room temperature. Their optical band gaps were estimated to be about 2.33eV and 2.24eV, respectively, which are obviously smaller than that of undoped thin film ScN (2.4eV). The red-shifted absorption onset gives direct evidence for the decrease of band gap (Eg) and the energy broadening of valence band states are attributable to the doping. As the doped elements enter the ScN crystal lattices, the localized band edge states form at the doped sites with a reduction of Eg. Using a variable angle spectroscopic ellipsometer, the decrease in refractive index with applied field is observed with a smaller shift in absorption coefficient.

Kim, Hyun-Jung↗

Composition and Petrology of HED Polymict Breccias: The Regolith of (4) Vesta

The polymict breccias of the howardite, eucrite and diogenite (HED) clan of meteorites preserve records of regolith processes that occur on Vesta, their putative home world. These breccias -- howardites, polymict eucrites and polymict diogenites -- are impact-engendered mixtures of diogenites and eucrites. The compositions of polymict breccias can be used to constrain the lithologic diversity of the vestan crust and the excavation depths of these materials. We have done petrological and compositional studies of multiple samples of 5 polymict eucrites and 28 howardites to investigate these issues. Older analyses were done on samples of approx 0.5 gram mass by INAA; newer analyses on samples of approx 5 gram mass by XRF and ICP-MS. We estimate the percentage of eucritic material (POEM) of polymict breccias by comparing their Al and/or Ca contents to those of average basaltic eucrite and diogenite. Our samples have POEM ranging from 28 to 98; adding two polymict diogenites from extends the range to POEM 10. One hypothesis is that ancient, well-mixed vestan regolith has POEM approx 67 and has a higher content of admixed impactor material. Several of our howardites have POEM of 59-74 (Al and/or Ca contents +/- 10% of POEM 67); about a third have Ni contents >300 micro g/g suggesting they contain >2% chondritic material (CM and/or CR). These may be regolithic howardites. Only one (LEW 85313) contains Ne dominated by a solar wind (SW) component. PCA 02066 is dominated by impact-melt material of polymict parentage and petrologically appears to be a mature regolith breccia, yet it does not contain SW-Ne. GRO 95602 falls within the POEM window, contains SW-Ne], yet has a Ni content of 193 micro g/g. Its petrologic characteristics suggest it was formed from immature regolith (no polymict breccia clasts; no glass). Trace element characteristics of the polymict breccias demonstrate the dominance of main-group eucrites as the basaltic component. Mixing diagrams of Zr, Nb, Ba, Hf and Ta with Al show no evidence for a significant contribution from Stannern-trend eucrites. An exception is polymict eucrite LEW 86001 (POEM 92), which is dominated by Stannern-trend basaltic debris. Howardite LAP 04838 (POEM 84) has higher incompatible trace concentrations than other polymict breccias (excluding LEW 86001), and either contains a Stannern-trend basaltic component, or has a significant contributions from evolved eucrites like Nuevo Laredo.

Mittlefehldt, David W.↗

Mineralogical, Elemental, and Tomographic Reconnaissance Investigation for CLPS (METRIC): A Proposed Mission to the Lunar South Pole-Aitken Basin

The global Lunar Magma Ocean (LMO) hypothesis is based on analyses of ferroan anorthosites (FAN), magnesian plutonic rocks (Mg-suite), and KREEPy (Potassium - K; Rare Earth Elements - REE; Phosphorous - P) material present at the Apollo landing sites and the assumed global distribution of these lithologies. However, orbital spacecraft data over the last two decades have highlighted that the location of the Apollo missions within and near the Procellarum KREEP Terrane (PKT) is compositionally anomalous and not representative of the entire lunar surface and suggests that Apollo samples provide a biased view of the Moon. Further, meteorites, which originate from random areas on the lunar surface, including those not visited by Apollo, Luna, or Chang’E-5, provide complementary datasets that reveal a more complex lunar formation and evolution than the simple LMO onion skin model. While many recent investigations support and refine the LMO model, other recent studies have questioned whether this mechanism alone is responsible for the primordial differentiation of the Moon. Thus, relating the distinct and asymmetrically distributed geochemical terranes on the Moon, especially KREEP which is a predicted global LMO product, to lunar formation and differentiation remains a fundamental goal of lunar science. The South Pole-Aitken (SPA) impact carved a two-and-a-half thousand-kilometer basin into the Moon’s ancient crust, excavating material from as deep as the upper mantle. Orbital remote sensing of the basin indicates compositions with elevated thorium (Th) contents and unique mineralogies that provide a window into early lunar structure and LMO processes. We propose to land a powerful characterization laboratory at Birkeland crater on the far side of the Moon–where Th-rich SPA ejecta have been re-exposed near the surface–in order to address outstanding questions about the evolution of the Moon.

K M Cannon↗

Hybrid semiconductor-piezoacoustic radiofrequency device

An amplifying radiofrequency device includes a piezoelectric film and a semiconductor amplifier layer. The piezoelectric film is conformed as an acoustic waveguide. The piezoelectric film has a principal acoustic propagation direction parallel to the principal conduction direction of the amplifier layer. Interdigitated transducers are positioned on the piezoelectric film to respectively launch an acoustic wave in response to an input RF signal, and transduce the acoustic wave back to an output RF signal. There is a distance of less than the acoustic wavelength between the semiconductor amplifier layer and the piezoelectric film. The piezoelectric film has a thickness of less than the acoustic wavelength. According to a method for making such a device, a stack of III-V layers is epitaxially grown on a III-V substrate, wherein the stack comprises a first etch stop layer, a second etch stop layer, an amplifier layer, and a contact layer. The stack is bonded to a lithium niobate film. The III-V substrate is removed by etching down to the first etch stop layer. Deposition windows are opened by etching from the first etch stop layer down to the contact layer. Metal contact electrodes are deposited in the deposition windows.

36 MATERIALS SCIENCE↗

Effect of Tritium on Cracking Threshold in 7075 Aluminum

The effect of long-term exposure to tritium gas on the cracking threshold (K TH ) of 7075 Aluminum Alloy was investigated. The alloy is the material of construction for a cell used to contain tritium in an accelerator at Jefferson Laboratory designed for inelastic scattering experiments on nucleons. The primary safety concerns for the Jefferson Laboratory tritium cell is a tritium leak due to mechanical failure of windows from hydrogen isotope embrittlement, radiation damage, or loss of target integrity from accidental excessive beam heating due to failure of the raster or grossly mis-steered beam. Experiments were conducted to investigate the potential for embrittlement of the 7075 Aluminum alloy from tritium gas.

36 MATERIALS SCIENCE↗

Microstructure and mechanical behavior of a TiC nanoprecipitate strengthened V Alloy

The V-4Cr-4Ti (V44) alloys have been proposed as the prime candidate structural material for self-cooled liquid Li blanket and other designs for fusion energy applications. However, the applications of the V44 alloy are limited to a narrow operation temperature window, due to reduction in creep strength at or above 700 °C and susceptibility to irradiation hardening and embrittlement when irradiated below 400 °C. Here, in this work, we explore the feasibility of designing a novel V alloy to form a high number density of TiC nanoprecipitates, in order to simultaneously improve creep strength and provide defect sinks to mitigate irradiation hardening. Computational thermodynamics was used to design a new alloy (V44C) to achieve our goal of high TiC nanoprecipitates density within the alloy V44 matrix. To ensure scalability, the new alloy was made through arc-melting and ingot-casting followed by hot forging, cold rolling and heat treatments of homogenization and precipitation aging. The microstructure was characterized by SEM, TEM, XRD and APT, confirming the existence of nanoprecipitates predicted in the thermodynamic calculations. In addition to microstructural evaluation tensile properties at room temperature and 700 °C, and Charpy impact energy at room temperature were measured. The microstructure and mechanical properties were then compared with those from a historic reference V44 alloy. The tensile strength improvement in V44C was rationalized based on particle and solid solution strengthening mechanism. The fracture behavior was discussed based on the fractography results and necking deformation behavior.

Alloys development↗

Crystallographic Oxide Phase Identification of Char Deposits Obtained from Space Shuttle Columbia Window Debris

Analyzing the remains of Space Shuttle Columbia has proven technically beneficial years after the vehicle breakup. This investigation focused on charred deposits on fragments of Columbia overhead windowpanes. Results were unexpected relative to the engineering understanding of material performance in a reentry environment. The TEM analysis demonstrated that the oxides of aluminum and titanium mixed with silicon oxides to preserve a history of thermal conditions to which portions of the vehicle were exposed. The presence of Ti during the beginning of the deposition process, along with the thermodynamic phase precipitation upon cool down, indicate that temperatures well above the Ti melt point were experienced. The stratified observations implied that additional exothermic reaction, expectedly metal combustion of a Ti structure, had to be present for oxide formation. Results are significant for aerospace vehicles where thermal protection system (TPS) breaches cause substructures to be in direct path with the reentry plasma. 1

Olivas, J. D.↗

Testing with the Laser-Enhanced Arc Jet Facility (LEAF) at NASA Ames Research Center

NASA's new Laser-Enhanced Arcjet Facility (LEAF) employs 200 kilowatts of continuous-wave fiber lasers, combined with a 60-megawatt arc plasma jet, to simulate the combined radiative and convective heating is now operational and Orion heat-shield material is undergoing testing. This upgrade to the existing Interaction Heating Facility (IHF) involves the addition of high-power fiber lasers that project 1070nm radiative energy into the existing vacuum chamber. The optically expanded laser beam enters a side window of the test chamber to form either a uniform 150 x 150 mm or a 425 x 425 mm square spot on a wedge-shaped model holder. Combined heating levels of up to 180 W/cm2 convective with either 300 W/cm2 or 100 W/cm2 are achievable. This allows the arc jet and lasers to simulate dynamic entry-heating profiles encountered during entry by the Orion crew capsule for the lunar return conditions. New computational investigations are underway to explore testing with the objective of defining ablative material failure limit. Typical arc-jet testing is performed with test article that are stagnation or wedge geometries. The existing convective heating test facility combined with test article design limits how high a combined shear, heat-flux and pressure conditions can be achieved. With the addition of laser power of 200 kW, much higher combined conditions of high heat-flux, pressure and shear is achievable on a wedge or a swept-cylinder article. Such testing possibilities will allow us to progressively increase the combined conditions and explore when an ablative TPS material may fail. The presentation provides an overview of the LEAF and present results from the on-going Orion Testing.

Venkatapathy, Ethiraj↗

In-situ/operando X-ray characterization of metal hydrides

Here in this article, the capabilities of soft and hard X-ray techniques, including X-ray absorption (XAS), soft X-ray emission spectroscopy (XES), resonant inelastic soft X-ray scattering (RIXS), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD), and their application to solid-state hydrogen storage materials are presented. These characterization tools are indispensable for interrogating hydrogen storage materials at the relevant length scales of fundamental interest, which range from the micron scale to nanometer dimensions.Since nanostructuring is now well established as an avenue to improve the thermodynamics and kinetics of hydrogen release and uptake, due to properties such as reduced mean free paths of transport and increased surface-to-volume ratio, it becomes of critical importance to explicitly identify structure-property relationships on the nanometer scale. X-ray diffraction and spectroscopy are effective tools for probing size-, shape-, and structure-dependent material properties at the nanoscale. This article also discusses the recent development of in-situ soft X-ray spectroscopy cells, which enable investigation of critical solid/liquid or solid/gas interfaces under more practical conditions. These unique tools are providing a window into the thermodynamics and kinetics of hydrogenation and dehydrogenation reactions and informing a quantitative understanding of the fundamental energetics of hydrogen storage processes at the microscopic level. In particular, in-situ soft X-ray spectroscopies can be utilized to probe the formation of intermediate species, byproducts, as well as the changes in morphology and effect of additives, which all can greatly affect the hydrogen storage capacity, kinetics, thermodynamics, and reversibility.A few examples using soft X-ray spectroscopies to study these materials are discussed to demonstrate how these powerful characterization tools could be helpful to further understand the hydrogen storage systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chemical heterogeneity modulated zero thermal expansion alloy over super-wide temperature range

Chemical heterogeneity is usually avoided in solution chemistry, but it may still occur with sometimes dramatic effects on target materials and their properties. Here, we propose chemical heterogeneity as a counterintuitive strategy to design high-performance zero thermal expansion (ZTE) alloys. We apply this approach in a Hf-Ti-Fe alloy with excess Fe in the Hf/Ti sublattice and produce Hf/Ti concentration alternations at the micro level. Such chemical heterogeneity regulates local magnetic interactions in alloy and triggers a dispersed magnetic phase transition that modulates the thermal expansions at the micro level and hence results in a remarkable ZTE behavior over a super-wide temperature window from 10 to 480 K. This mechanism is supported by comprehensive studies on morphological microstructures, crystal and magnetic structures, and theoretical calculations. The strategy of local chemical heterogeneity opens up an avenue to design ZTE and the related functional materials directly via microstructure engineering.

36 MATERIALS SCIENCE↗