The role of copper crystallization and segregation toward enhanced methanol synthesis via CO[subscri
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Marcos, Francielle C.F.↗
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Nanocomposite Materials for Radionuclide Sequestration from Groundwater Environments
The half-lives of radionuclides range from fractions of a second to billions of years. Since no practical method of altering radioactive decay exists, and since exposure to either the energy emitted from radioactive decay or chemical properties of radionuclides poses dire health risks, radioactive materials must be segregated and controlled. The capture, treatment, and disposition of radioactive materials remain an extraordinary challenge. In here, we focus our attention on the synthesis and characterization of a unique class of nanocomposite materials that have potential for removal of radionuclide contamination. Specifically, we report a simple approach to decorate the surface of iron-based (Fe/FexOy) material with various nano-catalysts. Specifically, copper (Cu), tin (Sn), and silver (Ag) nanoparticles were prepared through two different reduction approaches, namely, citrate and cetyltrimethylammonium bromide (CTAB) methods, on the iron-based material surface. All samples were characterized by a variety of analytical tools, which included scanning electron microscopy (SEM), electron-dispersive X-ray microanalysis (EDS), and EDS mapping to elucidate materials’ morphology as well as nano-catalysts’ loading and location on the iron-based structures.
Hunyadi Murph, Simona E.↗
Achieving a high open-circuit voltage in inverted wide-bandgap perovskite solar cells with a graded perovskite homojunction
Wide-bandgap (~1.7-1.8 eV) perovskite solar cells have attracted substantial research interest in recent years due to their great potential to fabricate efficient tandem solar cells via combining with a lower bandgap (1.1-1.3 eV) absorber (e.g., Si, copper indium gallium diselenide, or low-bandgap perovskite). However, wide-bandgap perovskite solar cells usually suffer from large open circuit voltage (V oc ) deficits caused by small grain sizes and photoinduced phase segregation. Here, we demonstrate that in addition to large grain sizes and passivated grain boundaries, controlling interface properties is critical for achieving high V oc 's in the inverted wide-bandgap perovskite solar cells. We adopt guanidinium bromide solution to tune the effective doping and electronic properties of the surface layer of perovskite thin films, leading to the formation of a graded perovskite homojunction. The enhanced electric field at the perovskite homojunction is revealed by Kelvin probe force microscopy measurements. This advance enables an increase in the V oc of the inverted perovskite solar cells from an initial 1.12 V to 1.24 V. With the optimization of the device fabrication process, the champion inverted wide-bandgap cell delivers a power conversion efficiency of 18.19% and sustains more than 72% of its initial efficiency after continuous illumination for 70 h without encapsulation. Additionally, a semitransparent device with an indium tin oxide back contact retains more than 88% of its initial efficiency after 100 h maximum power point tracking.
14 SOLAR ENERGY↗
The Strata-1 Regolith Dynamics Experiment: Class 1E Science on ISS
The Strata-1 experiment studies the evolution of small body regolith through long-duration exposure of simulant materials to the microgravity environment on the International Space Station (ISS). This study will record segregation and mechanical dynamics of regolith simulants in a microgravity and vibration environment similar to that experienced by regolith on small Solar System bodies. Strata-1 will help us understand regolith dynamics and will inform design and procedures for landing and setting anchors, safely sampling and moving material on asteroidal surfaces, processing large volumes of material for in situ resource utilization (ISRU) purposes, and, in general, predicting the behavior of large and small particles on disturbed asteroid surfaces. This experiment is providing new insights into small body surface evolution.
Fries, Marc↗
High temperature aircraft research furnace facilities
Focus is on the design, fabrication, and development of the High Temperature Aircraft Research Furnace Facilities (HTARFF). The HTARFF was developed to process electrically conductive materials with high melting points in a low gravity environment. The basic principle of operation is to accurately translate a high temperature arc-plasma gas front as it orbits around a cylindrical sample, thereby making it possible to precisely traverse the entire surface of a sample. The furnace utilizes the gas-tungsten-arc-welding (GTAW) process, also commonly referred to as Tungsten-Inert-Gas (TIG). The HTARFF was developed to further research efforts in the areas of directional solidification, float-zone processing, welding in a low-gravity environment, and segregation effects in metals. The furnace is intended for use aboard the NASA-JSC Reduced Gravity Program KC-135A Aircraft.
Smith, James E., Jr.↗
Landslide hazard mapping with selected dominant factors: A study case of Penang Island, Malaysia
Landslide is one of the destructive natural geohazards in Malaysia. In addition to rainfall as triggering factos for landslide in Malaysia, topographical and geological factors play important role in the landslide susceptibility analysis. Conventional topographic factors such as elevation, slope angle, slope aspect, plan curvature and profile curvature have been considered as landslide causative factors in many research works. However, other topographic factors such as diagonal length, surface area, surface roughness and rugosity have not been considered, especially for the research work in landslide hazard analysis in Malaysia. This paper presents landslide hazard mapping using Frequency Ratio (FR) and the study area is Penang Island of Malaysia. Frequency ratio approach is a variant of probabilistic method that is based on the observed relationships between the distribution of landslides and each landslide-causative factor. Landslide hazard map of Penang Island is produced by considering twenty-two (22) landslide causative factors. Among these twenty-two (22) factors, fourteen (14) factors are topographic factors. They are elevation, slope gradient, slope aspect, plan curvature, profile curvature, general curvature, tangential curvature, longitudinal curvature, cross section curvature, total curvature, diagonal length, surface area, surface roughness and rugosity. These topographic factors are extracted from the digital elevation model of Penang Island. The other eight (8) non-topographic factors considered are land cover, vegetation cover, distance from road, distance from stream, distance from fault line, geology, soil texture and rainfall precipitation. After considering all twenty-two factors for landslide hazard mapping, the analysis is repeated with fourteen dominant factors which are selected from the twenty-two factors. Landslide hazard map was segregated into four categories of risks, i.e. Highly hazardous area, Hazardous area, Moderately hazardous area and Not hazardous area. The maps was assessed using ROC (Rate of Curve) based on the area under the curve method (AUC). The result indicates an increase of accuracy from 77.76% (with all 22 factors) to 79.00% (with 14 dominant factors) in the prediction of landslide occurrence.
58 GEOSCIENCES↗
A primer on selecting grain boundary sets for comparison of interfacial fracture properties in molecular dynamics simulations
In this study, all grain boundaries are not equal in their predisposition for fracture due to the complex coupling between lattice geometry, interfacial structure, and mechanical properties. The ability to understand these relationships is crucial to engineer materials resilient to grain boundary fracture. Here, a methodology is presented to isolate the role of grain boundary structure on interfacial fracture properties, such as the tensile strength and work of separation, using atomistic simulations. Instead of constructing sets of grain boundary models within the misorientation/structure space by simply varying the misorientation angle around a fixed misorientation axis, the proposed method creates sets of grain boundary models by means of isocurves associated with important fracture-related properties of the adjoining lattices. Such properties may include anisotropic elastic moduli, the Schmid factor for primary slip, and the propensity for simultaneous slip on multiple slip systems. This approach eliminates the effect of lattice properties from the comparative analysis of interfacial fracture properties and thus enables the identification of structure-property relationships for grain boundaries. As an example, this methodology is implemented to study crack propagation along Ni grain boundaries. Segregated H is used as a means to emphasize differences in the selected grain boundary structures while keeping lattice properties fixed.
36 MATERIALS SCIENCE↗
Evolution of A-Type Macrosegregation in Large Size Steel Ingot After Multistep Forging and Heat Treatment
A-type macrosegregation refers to the channel chemical heterogeneities that can be formed during solidification in large size steel ingots. In this research, a combination of experiment and simulation was used to study the influence of open die forging parameters on the evolution of A-type macrosegregation patterns during a multistep forging of a 40 metric ton (MT) cast, high-strength steel ingot. Macrosegregation patterns were determined experimentally by macroetch along the longitudinal axis of the forged and heat-treated ingot. Mass spectroscopy, on more than 900 samples, was used to determine the chemical composition map of the entire longitudinal sectioned surface. FORGE NxT 1.1 finite element modeling code was used to predict the effect of forging sequences on the morphology evolution of A-type macrosegregation patterns. For this purpose, grain flow variables were defined and implemented in a large scale finite element modeling code to describe oriented grains and A-type segregation patterns. Examination of the A-type macrosegregation showed four to five parallel continuous channels located nearly symmetrical to the axis of the forged ingot. In some regions, the A-type patterns became curved or obtained a wavy form in contrast to their straight shape in the as-cast state. Mass spectrometry analysis of the main alloying elements (C, Mn, Ni, Cr, Mo, Cu, P, and S) revealed that carbon, manganese, and chromium were the most segregated alloying elements in A-type macrosegregation patterns. The observed differences were analyzed using thermodynamic calculations, which indicated that changes in the chemical composition of the liquid metal can affect the primary solidification mode and the segregation intensity of the alloying elements. Finite element modeling simulation results showed very good agreement with the experimental observations, thereby allowing for the quantification of the influence of temperature and deformation on the evolution of the shape of the macrosegregation channels during the open die forging process.
36 MATERIALS SCIENCE↗
GeSn alloys with ∼21% Sn grown by effusion cell molecular beam epitaxy
We report the epitaxial growth of high quality GeSn alloys with Sn compositions up to 21.25 ± 1% by effusion-cell molecular beam epitaxy (MBE). Achieving such a high Sn content with effusion cells is particularly significant, since these sources typically impose stronger radiative heating on the substrate, which is a factor long considered a major obstacle to high-Sn GeSn epitaxy. Contrary to the prevailing assumption that high growth rates are good for suppressing Sn segregation, we demonstrate that carefully controlled low fluxes, combined with stable ultra-low substrate temperatures, enable significant Sn incorporation even under effusion-cell conditions. Structural analyses by high-resolution x-ray diffraction, reciprocal space mapping, atomic force microscopy, and transmission electron microscopy confirm sharp interfaces, high crystallinity, and smooth surfaces at high Sn contents. Furthermore, these findings establish the feasibility of MBE-grown high-Sn GeSn even under diffusion cells, thereby broadening opportunities for Si-compatible photonic and quantum devices.
Alloys↗
Understanding the influence of strain-modified oxygen vacancies and surface chemistry on the oxygen reduction reaction of epitaxial La0.8Sr0.2CoO3-δ thin films
Not Available
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Non-uniform solute segregation at semi-coherent metal/oxide interfaces
The properties and performance of metal/oxide nanocomposites are governed by the structure and chemistry of the metal/oxide interfaces. Here we report an integrated theoretical and experimental study examining the role of interfacial structure, particularly misfit dislocations, on solute segregation at a metal/oxide interface. We find that the local oxygen environment, which varies significantly between the misfit dislocations and the coherent terraces, dictates the segregation tendency of solutes to the interface. Depending on the nature of the solute and local oxygen content, segregation to misfit dislocations can change from attraction to repulsion, revealing the complex interplay between chemistry and structure at metal/oxide interfaces. These findings indicate that the solute chemistry at misfit dislocations is controlled by the dislocation density and oxygen content. As a result, fundamental thermodynamic concepts – the Hume-Rothery rules and the Ellingham diagram – qualitatively predict the segregation behavior of solutes to such interfaces, providing design rules for novel interfacial chemistries.
36 MATERIALS SCIENCE↗
Microstructure, fatigue, and impact toughness properties of additively manufactured nickel alloy 718
A complete understanding of processing-structure-property-performance relationship of additively manufactured (AM) components are critical from an application standpoint. Therefore, in the current investigation, a comprehensive microstructural characterization and mechanical properties (tensile, fatigue and impact toughness) evaluation of nickel alloy 718 AM by the laser powder bed fusion (L-PBF) technique have been performed. AM builds were made from powders manufactured via different atomization conditions. Although the standard post-heat treatment procedure led to the removal of severe interdendritic segregation both grain boundary and intra-grain precipitation of d phase occurred. Regardless of d phase presence, axial fatigue properties of both the AM builds were similar to design handbook wrought fatigue data. However, due to the d phase, impact toughness properties were comparable to the wrought material conditions that exhibited d phase. Fractured surfaces of Charpy impact samples exhibited crack propagation extensively along the boundaries decorated by d precipitates.
Komarasamy, Mageshwari↗
New Determination of Fundamental Properties of Palomar 5 Using Deep DESI Imaging Data
The legacy imaging surveys for the Dark Energy Spectroscopic Instrument project provides multiple-color photometric data, which are about 2 mag deeper than those from the SDSS. In this study, we redetermine the fundamental properties for an old halo globular cluster of Palomar 5 based on these new imaging data, including structure parameters, stellar population parameters, and luminosity and mass functions. These characteristics, together with its tidal tails, are key for dynamical studies of the cluster and constraining the mass model of the Milky Way. By fitting the King model to the radial surface density profile of Palomar 5, we derive the core radius of [[Formula]], tidal radius of [[Formula]], and concentration parameter of c = 0.78 ± 0.04. We apply a Bayesian analysis method to derive the stellar population properties and get an age of 11.508 ± 0.027 Gyr, metallicity of [Fe/H] = −1.798 ± 0.014, reddening of E(B − V) = 0.0552 ± 0.0005, and distance modulus of (m−M){sub 0} = 16.835±0.006. The main-sequence luminosity and mass functions for both the cluster center and tidal tails are investigated. The luminosity and mass functions at different distances from the cluster center suggest that there is obvious spatial mass segregation. Many faint low-mass stars have been evaporated at the cluster center, and the tidal tails are enhanced by low-mass stars. Both the concentration and relaxation times suggest that Palomar 5 is a totally relaxed system.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Solidification Using a Baffle in Sealed Ampoules (SUBSA)
Solidification Using a Baffle in Sealed Ampoules (SUBSA) will be the first materials science experiment conducted in the Microgravity Science Glovebox (MSG) Facility at the International Space Station (ISS) Alpha. The launch is schedule for May 31, 2002. Using the specially developed furnace, 10 Te and Zn-doped single crystals of InSb will be directionally solidified in microgravity. A key goal of the SUBSA investigation is to (i) clarify the origin of the melt motion in space laboratories and (ii) to reduce the magnitude of the melt motion to the point that it does not interfere with the transport phenomena. These goals will be accomplished through a special ampoule and furnace design. A disk-shaped baffle, positioned close to the freezing front, is used to reduce melt motion. Furthermore, the solidification will be visualized by using a transparent furnace, with a video camera, continuously sending images to the earth. This allows detection of bubbles and melt de-wetting that could cause surface tension driven convection. In preparation for the space experiments, 30 ground-based experiments were conducted. The results of ground based tests and numerical modeling will be presented. Based on numerical modeling, 12 mm 1D silica ampoules were selected. The small diameter ampoule favors closer placement of the baffle to the interface, without excessive radial segregation caused by forced convection while providing more damping of natural convection. The parts in the silica ampoule include 2 carbon springs made by Energy Science Laboratories, Inc., a pyrocarbon-coated graphite cylinder, pyrocarbon-coated graphite a baffle with the shaft and the InSb charge with the seed crystal grown by W.A. Bonner of Crystallod Inc.
Marin, C.↗
Connector adapter
An adapter for installing a connector to a terminal post, wherein the connector is attached to a cable, is presented. In an embodiment, the adapter is comprised of an elongated collet member having a longitudinal axis comprised of a first collet member end, a second collet member end, an outer collet member surface, and an inner collet member surface. The inner collet member surface at the first collet member end is used to engage the connector. The outer collet member surface at the first collet member end is tapered for a predetermined first length at a predetermined taper angle. The collet includes a longitudinal slot that extends along the longitudinal axis initiating at the first collet member end for a predetermined second length. The first collet member end is formed of a predetermined number of sections segregated by a predetermined number of channels and the longitudinal slot.
Hacker, Scott C.↗
Cation-Exchange Synthesis of Highly Monodisperse PbS Quantum Dots from ZnS Nanorods for Efficient Infrared Solar Cells
Infrared solar cells that utilize low-bandgap colloidal quantum dots (QDs) are promising devices to enhance the utilization of solar energy by expanding the harvested photons of common photovoltaics into the infrared region. However, the present synthesis of PbS QDs cannot produce highly efficient infrared solar cells. Here in this paper, a general synthesis is developed for low-bandgap PbS QDs (0.65-1 eV) via cation exchange from ZnS nanorods (NRs). First, ZnS NRs are converted to superlattices with segregated PbS domains within each rod. Then, sulfur precursors are released via the dissolution of the ZnS NRs during the cation exchange, which promotes size focusing of PbS QDs. PbS QDs synthesized through this new method have the advantages of high monodispersity, ease-of-size control, in situ passivation of chloride, high stability, and a 'clean' surface. Infrared solar cells based on these PbS QDs with different bandgaps are fabricated, using conventional ligand exchange and device structure. All of the devices produced in this manner show excellent performance, showcasing the high quality of the PbS QDs. The highest performance of infrared solar cells is achieved using ≈0.95 eV PbS QDs, exhibiting an efficiency of 10.0% under AM 1.5 solar illumination, a perovskite-filtered efficiency of 4.2%, and a silicon-filtered efficiency of 1.1%.
14 SOLAR ENERGY↗
In Situ Characterization of Mesoporous Co/CeO 2 Catalysts for the High-Temperature Water-Gas Shift
Here, mesoporous Co/CeO 2 catalysts were found to exhibit significant activity for the high-temperature water-gas shift (WGS) reaction with cobalt loadings as low as 1 wt %. The catalysts feature a uniform dispersion of cobalt within the CeO 2 fluorite type lattice with no evidence of discrete cobalt phase segregation. In situ XANES and ambient pressure XPS experiments were used to elucidate the active state of the catalysts as partially reduced cerium oxide doped with oxidized cobalt atoms. In situ XRD and DRIFTS experiments suggest facile cerium reduction and oxygen vacancy formation, particularly with lower cobalt loadings. In situ DRIFTS analysis also revealed the presence of surface carbonate and bidentate formate species under reaction conditions, which may be associated with additional mechanistic pathways for the WGS reaction. Deactivation behavior was observed with higher cobalt loadings. XANES data suggest the formation of small metallic cobalt clusters at temperatures above 400 °C may be responsible. Notably, this deactivation was not observed for the 1% cobalt loaded catalyst, which exhibited the highest activity per unit of cobalt.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗