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At least 1,117 records · Page 62

Accidental persistent spin textures in the proustite mineral family

Persistent spin textures (PSTs) in momentum space have the potential to enable spintronic devices which are currently limited by spin lifetimes in nonmagnetic spin-orbit coupled materials. We perform a first-principles study on the proustite mineral family, Ag 3 ⁢B⁢Q 3 (B = As, Sb; Q = S, Se), and show these chalcogenides exhibit nonsymmetry-protected PSTs, which we refer to as symmetry-assisted PSTs. Chemical substitution can be used to tune the PST quality and properties, e.g., spin lifetime, and we find that a Rashba anisotropy criterion correlates with the PST area and spin lifetime for two of the three proustites examined. Last, we show that a first-order effective SOC Hamiltonian, often used in two-dimensional systems, is insufficient to describe the PST state in all proustites, suggesting that higher order models are necessary to fully describe PSTs in bulk three-dimensional materials.

36 MATERIALS SCIENCE↗

Bismuth in Lead–Tin Alloy Perovskites: Effect on Material Properties and Photovoltaic Device Performance

Metal halide perovskites (MHPs) have a strong potential for optoelectronic applications, especially photovoltaics. A significant advantage offered by MHPs is their bandgap tunability via chemical substitution and alloying, with lead–tin alloys producing the narrowest reported bandgaps of ~1.2 eV. Efforts to further narrow the bandgap of MHPs by alloying in other elements, such as bismuth, have largely been unsuccessful due to the introduction of defective electronic states, which severely diminish electronic quality. Here, in this study, we examine the effects of bismuth on a lead–tin alloyed MHP, motivated by the narrow bandgap of alloyed lead–tin MHPs. We find that the defect screening observed in lead–tin MHPs is not sufficient to screen the defect level introduced by bismuth, as evidenced by quenched photoluminescence, decreased mobility, and severely reduced performance in a photovoltaic device. Density functional theory calculations suggest that midgap states are introduced by bismuth addition over a range of chemical and compositional conditions. We further observe through wavelength-dependent photoconductivity that free carriers are generated out to ~0.9 eV in bismuth-containing samples, which could be of potential interest for NIR photodetection.

14 SOLAR ENERGY↗

Magnetic anisotropy and two-dimensional short-range chemical ordering in Ba 1−𝑥 ⁢Na 𝑥 ⁢Fe 2 ⁢As 2

A true understanding of the properties of pnictide superconductors requires the development of high-quality materials and performing measurements designed to unravel their intrinsic properties and short-range nematic correlations which are often obscured by extrinsic effects such as poor crystallinity, inhomogeneity, domain formation, and twinning. Here, in this paper, we report the systematic growth of high-quality Na-substituted BaFe 2 As 2 single crystals and their characterization using pulsed magnetic fields x-ray diffraction and x-ray diffuse scattering. Analysis of the properties and compositions of the highest-quality crystals shows that their actual Na stoichiometry is about 50-60% of the nominal content and that the targeted production of crystals with specific compositions is accessible. We derived a reliable equation to estimate the Na stoichiometry based on the measured superconducting T c of these materials. Attempting to force spin reorientation and induce tetragonality, orthorhombic Ba 1-x Na x Fe 2 As 2 single crystals subjected to out-of-plane magnetic fields up to 31.4T are found to exhibit strong in-plane magnetic anisotropy demonstrated by the insufficiency of such high fields in manipulating the relative population of their twinned domains or in suppressing the orthorhombic order. Broad x-ray diffuse-intensity rods observed at temperatures between 30 and 300 K uncover short-range structural correlations. Local structure modeling together with 3D-Δ pair-distribution function mapping of real-space interatomic vectors show that the diffuse scattering arises from in-plane short-range chemical correlations of the Ba and Na atoms coupled with short-range atomic displacements within the same plane due to an effective size difference between the two atomic species.

36 MATERIALS SCIENCE↗

A complete grain-level assessment of the stress-strain evolution and associated deformation response in polycrystalline alloys

Polycrystalline alloys are used pervasively across structural applications contingent upon extensive experimental testing. A statistically representative number of tests are required to expose the variability in the material's performance, as a result of non-uniform microstructures and associated micromechanical fields. In a more direct means of capturing this pertinent information, multi-modal experimental techniques are presented to measure and track the complete micromechanical state, evolving during loading, of each and every grain within the regions of interest. Specifically, a combination of high-energy X-ray diffraction microscopy and digital image correlation coupled with electron backscatter diffraction are conducted on a specimen for each of the alloys, Haynes 282 and Ti7Al. The results of the multi-modal analysis definitively demonstrate that the degree of heterogeneity increases with deformation level and is used to assess the number of grains necessary for a representative volume element description of the stress state for each of these materials. Moreover, higher resolution imaging is used for identification of the slip system activity and subsequently used to study slip transmission events. An accurate knowledge of the resolved shear stress in adjacent grains (grain interactions) is demonstrated to be a key descriptor of the slip transmission events.

36 MATERIALS SCIENCE↗

TEAMER: Biofouling Analysis for Wave Energy Piston Design - Load Cell Data

Biofouling and corrosion are a major concern for all ocean-deployed components, especially when mechanical motion is involved. Triton has developed the concept of a biofouling mitigation seal as part of the piston sealing assembly for the Triton Wave Energy Converter (TSI-WEC). This mitigation seal has the purpose of preventing the formation of a biofilm on the inside of the piston cylinder. It is hypothesized that the prevention of a biofilm will reduce the amount of macro-biofouling that can occur in the piston assembly. The mitigation seal can also reduce the wear on the main dynamic seal, helping to maintain smooth operation and water-tightness. The cylinder is made from a thermoset composite epoxy, which is resistant to corrosion. However, no studies have researched the material's performance with biofouling. Triton placed two prototype Power Take-Off (PTO) assemblies in a PNNL biofouling tank, one with a biofouling mitigation seal and one without, allowing for an evaluation of seal effectiveness at the prevention of biofouling. In actual WEC operation, wave action would react against the piston, which would drive the linear actuator and electric generator, providing electrical power. In the test setup, this was reversed; a linear actuator was powered to drive the piston in a consistent motion within the cylinder. There are two assemblies: one has a biofouling mitigation seal, the other (control) does not. The following data encompasses a 4 month test period, with load cells being used to monitor piston friction force. Results from this testing will be used to improve seal design and material selection, mitigating risk of premature failure during open water testing and evaluation. This project is part of the TEAMER RFTS 3 (request for technical support) program.

16 TIDAL AND WAVE POWER↗

The Passive Optical Sample Assembly (POSA): I Experiment: First Flight Results and Conclusions

The Passive Optical Sample Assembly-I (POSA-I), part of the Mir Environmental Effects Payload (MEEP), was designed to study the combined effects of contamination, atomic oxygen, ultraviolet radiation, vacuum, thermal cycling, and other constituents of the space environment on spacecraft materials. The MEEP program is a Phase 1 International Space Station Risk Mitigation Experiment. SSP 30258 "Thermal Control Architectural Control Document", section 3.1.2 requires that International Space Station (ISS) external materials meet performance requirements when exposed to the external environment as defined in SSP 30426, "Space Station External Contamination Control Requirements." Contamination control documents call for less than 3 x 10(exp -7) gm/sq cm/yr of molecular contamination on a surface at 300 K at the Prime Measurement Points during quiescent periods and less than 1 x 10(exp-6) gm/sq cm/yr during non-quiescent periods. Assuming a density of 1.0 g/cu cm for the contaminant, this is roughly equivalent to 30-100 A per year. A previous Mir flight experiment (Guillaumon et al. 1991) measured 321-716 A per year. Were this to happen on ISS, the radiators would reach end-of-life properties much sooner than the planned 10 years. Therefore, POSA was proposed to expose ISS-baselined materials (such as Z93 white thermal control paint and chromic acid anodized aluminum) to the Mir environment and determine not only the level of contamination from an orbiting, active space station but also the effect of contamination on thermal optical properties. POSA-I consisted of nearly 400 samples of various candidate materials for ISS. Paint samples flown included Z-93 and YB-71 white thermal control paints and a new inorganic bright yellow paint htat can be utilized for astronaut visual aids.

Zwiener, James M.↗

Capture Instead of Release: Defect-Modulated Radionuclide Leaching Kinetics in Metal–Organic Frameworks

Comparison of defect-controlled leaching-kinetics modulation of metal–organic frameworks (MOFs) and porous functionalized silica-based materials was performed on the example of a radionuclide and radionuclide surrogate for the first time, revealing an unprecedented readsorption phenomenon. On a series of zirconium-based MOFs as model systems, we demonstrated the ability to capture and retain >99% of the transuranic 241 Am radionuclide after 1 week of storage. Here, we report the possibility of tailoring radionuclide release kinetics in MOFs through framework defects as a function of postsynthetically installed organic ligands including cation-chelating crown ether-based linkers. Based on comprehensive analysis using spectroscopy (EXAFS, UV–vis, FTIR, and NMR), X-ray crystallography (single crystal and powder), and theoretical calculations (nine kinetics models and structure simulations), we demonstrated the synergy of radionuclide integration methods, topological restrictions, postsynthetic scaffold modification, and defect engineering. This combination is inaccessible in any other material and highlights the advantages of using well-defined frameworks for gaining fundamental knowledge necessary for the advancement of actinide-based material development, providing a pathway for addressing upcoming challenges in the nuclear waste administration sector.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

The Investigation Of Carbon Contamination And Sputtering Effects Of Xenon Ion Thrusters

The Electro-Physics Branch of the NASA Glenn Research Center investigates the effect of atomic oxygen, environmental durability of high performance power materials and surfaces, and low earth orbit. One of its current projects involves the analysis of ion thrusters. Ion thrusters are devices that initiate a beam of ions to a target area. The type of ion thruster that I have been working with this Summer of 2004 emits positively charged Xenon (Xe(+)) atoms through two grids, the screen grid and the accelerator grid, after it enters an ionization chamber. Insulators are used to mechanically hold and separate these two grids. A propellant isolator, an instrument that closely resembles insulators, is placed in front of the ionization chamber. Both the insulator and isolator are made with a ceramic compound and filled with insulating beads. The main difference between the two devices is that the propellant isolator allows gas to flow through, in this case, the gas is Xe(+) and the insulators do not. In order to avoid carbon deposits and other contaminating chemicals to settle on the insulators and propellant isolator, a metal shadow shield is placed around them. These shadow shields function as a protectant and can be shaped in numerous configurations. Part of my job responsibility this summer is to investigate the effectiveness of different shadow shields that are utilized on three different ion engines: the NSTAR (NASA Solar Electric Propulsion Technology Application Readiness), JIMO (Jupiter Icy Moons Orbiter), and NEXIS (Nuclear Electric Xenon Ion System). Using calculus and other mathematical tactics, I was asked to find the total flux of carbon contamination that was able to pass the protectant shadow shield. I familiarized myself with the software program, MathCad2004, to help perform some mathematical computations such as complex integration. Another method of studying the probability of contamination is by experimental simulation. After attaining the precise parameters of the actual shadow shields, I created replicas of three types of shadow shielding to be used to undergo testing. It will be placed in a machine that produces carbon atoms at a high temperature of 200 C. or beam is aimed at a targeted material. As a result of this collision, atoms and other particles are ejected out of the target surface. Another part of my internship consisted of research on sputter ejection, or the angle distribution of sputtered material. This research entailed finding the past results of sputter ejection investigation as well as creating another type of mock simulation. Other minor projects include calculating the path of Xe(+) gas through the insulating beads of the isolators and assisting my mentor in collecting data for his paper for the Joint Propulsion Conference & Exhibit to be held July 11-14,2004 in Fort Lauderdale, Florida.

Prak, Moline K.↗

TriFrame Mount Structural Performance - Period A

Long-Term TriFrame Monitoring System (LTTFMS) data collected during Period A (13 days - 10/22/20 - 11/4/20). The central component of the Verdant Power Free Flow System is a three-bladed horizontal-axis turbine. The turbine is equipped with a composite rotor with three fixed-pitch blades that rotate at a slow and regular rate (approx. 32 rpm), well below normal water vessel propeller speeds and conventional hydropower turbine blade speeds. The TriFrame mount is the structural mount that holds the three Verdant Power three-bladed horizontal-axis turbines.

16 TIDAL AND WAVE POWER↗

Elucidating Primary Degradation Mechanisms in High-Cycling-Capacity, Compositionally Tunable High-Entropy Hydrides

The hydrogen sorption properties of single-phase bcc (TiVNb) 100–x Cr x alloys (x = 0–35) are reported. All alloys absorb hydrogen quickly at 25 °C, forming fcc hydrides with storage capacity depending on the Cr content. Here, a thermodynamic destabilization of the fcc hydride is observed with increasing Cr concentration, which agrees well with previous compositional machine learning models for metal hydride thermodynamics. The steric effect or repulsive interactions between Cr–H might be responsible for this behavior. The cycling performances of the TiVNbCr alloy show an initial decrease in capacity, which cannot be explained by a structural change. Pair distribution function analysis of the total X-ray scattering on the first and last cycled hydrides demonstrated an average random fcc structure without lattice distortion at short-range order. If the as-cast alloy contains a very low density of defects, the first hydrogen absorption introduces dislocations and vacancies that cumulate into small vacancy clusters, as revealed by positron annihilation spectroscopy. Finally, the main reason for the capacity drop seems to be due to dislocations formed during cycling, while the presence of vacancy clusters might be related to the lattice relaxation. Having identified the major contribution to the capacity loss, compositional modifications to the TiVNbCr system can now be explored that minimize defect formation and maximize material cycling performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Towards replacing physical testing of granular materials with a Topology-based Model

In the study of packed granular materials, the performance of a sample (e.g., the detonation of a high-energy explosive) often correlates to measurements of a fluid flowing through it. The “effective surface area,” the surface area accessible to the airflow, is typically measured using a permeametry apparatus that relates the flow conductance to the permeable surface area via the Carman-Kozeny equation. This equation allows calculating the flow rate of a fluid flowing through the granules packed in the sample for a given pressure drop. However, Carman-Kozeny makes inherent assumptions about tunnel shapes and flow paths that may not accurately hold in situations where the particles possess a wide distribution in shapes, sizes, and aspect ratios, as is true with many powdered systems of technological and commercial interest. To address this challenge, we replicate these measurements virtually on micro-CT images of the powdered material, introducing a new Pore Network Model based on the skeleton of the Morse-Smale complex. Pores are identified as basins of the complex, their incidence encodes adjacency, and the conductivity of the capillary between them is computed from the cross-section at their interface. We build and solve a resistive network to compute an approximate laminar fluid flow through the pore structure. Here, we provide two means of estimating flow-permeable surface area: (i) by direct computation of conductivity, and (ii) by identifying dead-ends in the flow coupled with isosurface extraction and the application of the Carman-Kozeny equation, with the aim of establishing consistency over a range of particle shapes, sizes, porosity levels, and void distribution patterns.

36 MATERIALS SCIENCE↗

Plasma Surface Functionalization of AFP Manufactured Composites for Improved Adhesive Bond Performance

Application of carbon fiber reinforced polymer (CFRP) as a high-performance structural material has widespread application in the present aerospace industry. However, as-processed composite materials require a comprehensive surface treatment prior to bonding to remove contaminants and impart surface functionality and topography to overcome their poor adhesion properties. Atmospheric pressure plasma jet treatment (APPJT) has been increasingly garnering attention as an alternate method for surface preparation of CFRP. This method has been reported to achieve success in imparting favorable polar functional groups into the composite surfaces enhancing wettability and surface energy of the bonded surfaces. In some cases, APPJT has been demonstrated to remove contaminants or, in the case of silicones, convert them to silica. In this study, an atmospheric pressure plasma jet (APPJ) system was used for surface activation of a composite laid-up by an automated fiber placement (AFP) machine. Surface modifications prior to and after treatment were characterized using water contact angle (WCA) measurements, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and atomic force microscopy (AFM). Double cantilever beam (DCB) tests were performed to quantify the bonding performance of the composites. The results show a marked enhancement of the mode I interlaminar fracture toughness with the application of APPJT.

Sarikaya, Ibrahim↗

Contrasting SnTe–NaSbTe 2 and SnTe–NaBiTe 2 Thermoelectric Alloys: High Performance Facilitated by Increased Cation Vacancies and Lattice Softening

Defect chemistry is critical to designing high performance thermoelectric materials. In SnTe, the naturally large density of cation vacancies results in excessive hole doping and frustrates the ability to control the thermoelectric properties. Yet, recent work also associates the vacancies with suppressed sound velocities and low lattice thermal conductivity, underscoring the need to understand the interplay between alloying, vacancies, and the transport properties of SnTe. Here, we report solid solutions of SnTe with NaSbTe 2 and NaBiTe 2 (NaSn m SbTe m +2 and NaSn m BiTe m +2 , respectively) and focus on the impact of the ternary alloys on the cation vacancies and thermoelectric properties. We find introduction of NaSbTe 2 , but not NaBiTe 2 , into SnTe nearly doubles the natural concentration of Sn vacancies. Furthermore, DFT calculations suggest that both NaSbTe 2 and NaBiTe 2 facilitate valence band convergence and simultaneously narrow the band gap. These effects improve the power factors but also make the alloys more prone to detrimental bipolar diffusion. Indeed, the performance of NaSn m BiTe m +2 is limited by strong bipolar transport and only exhibits modest maximum ZTs ≈ 0.85 at 900 K. In NaSn m SbTe m +2 however, the doubled vacancy concentration raises the charge carrier density and suppresses bipolar diffusion, resulting in superior power factors than those of the Bi-containing analogues. Lastly, NaSbTe 2 incorporation lowers the sound velocity of SnTe to give glasslike lattice thermal conductivities. Facilitated by the favorable impacts of band convergence, vacancy-augmented hole concentration, and lattice softening, NaSn m SbTe m +2 reaches high ZT ≈ 1.2 at 800–900 K and a competitive average ZT avg of 0.7 over 300–873 K. The difference in ZT between two chemically similar compounds underscores the importance of intrinsic defects in engineering high-performance thermoelectrics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Alternative Materials Literature Review: A Review of Alternative Materials for Xenon Capture in Comparison to AgZ-PAN

A collaborative literature review between Idaho National Laboratory (INL) and Pacific National Laboratory (PNNL) was conducted to research alternative metals/materials for xenon adsorption in gaseous effluents generated from used nuclear fuel (UNF) reprocessing. The review was conducted to research sorbents that could outperform silver mordenite (AgZ) at ambient temperature. The use of silver requires complex and expensive waste disposal processes due to it being an RCRA metal, therefore alternative materials need to be researched and evaluated. The report details two different types of sorbent material: alternative zeolite materials and non-zeolite-based materials (i.e., MOFs, COFs, etc.). This report documents a brief history of the materials, what testing has been conducted on them, and what results suggest the possibility of outperforming the silver-based materials. Sorbent performance characteristics such as durability, capacity, and operating temperatures were evaluated. The simplicity of the sorbents was also evaluated, meaning how they are acquired (synthesized vs. naturally abundant). Recommendations were made for the most promising sorbents based on available research in the subject area and these recommended sorbents will be tested in the upcoming fiscal year. The recommended sorbents that are zeolite based are CHA zeolites, ZIF-69, and Na-ETS-10. The recommended sorbents that are non-zeolite based are SBMOF-1 and CC3.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Alternative Materials Literature Review: A Review of Alternative Materials for Xenon Capture in Comparison to AgZ-PAN

A collaborative literature review between Idaho National Laboratory (INL) and Pacific National Laboratory (PNNL) was conducted to research alternative metals/materials for xenon adsorption in gaseous effluents generated from used nuclear fuel (UNF) reprocessing. The review was conducted to research sorbents that could outperform silver mordenite (AgZ) at ambient temperature. The use of silver requires complex and expensive waste disposal processes due to it being an RCRA metal, therefore alternative materials need to be researched and evaluated. The report details two different types of sorbent material: alternative zeolite materials and non-zeolite-based materials (i.e., MOFs, COFs, etc.). This report documents a brief history of the materials, what testing has been conducted on them, and what results suggest the possibility of outperforming the silver-based materials. Sorbent performance characteristics such as durability, capacity, and operating temperatures were evaluated. The simplicity of the sorbents was also evaluated, meaning how they are acquired (synthesized vs. naturally abundant). Recommendations were made for the most promising sorbents based on available research in the subject area and these recommended sorbents will be tested in the upcoming fiscal year. The recommended sorbents that are zeolite based are CHA zeolites, ZIF-69, and Na-ETS-10. The recommended sorbents that are non-zeolite based are SBMOF-1 and CC3.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Space environmental effects on spacecraft: LEO materials selection guide, part 1

This document provides performance properties on major spacecraft materials and subsystems that have been exposed to the low-Earth orbit (LEO) space environment. Spacecraft materials include metals, polymers, composites, white and black paints, thermal-control blankets, adhesives, and lubricants. Spacecraft subsystems include optical components, solar cells, and electronics. Information has been compiled from LEO short-term spaceflight experiments (e.g., space shuttle) and from retrieved satellites of longer mission durations (e.g., Long Duration Exposure Facility). Major space environment effects include atomic oxygen (AO), ultraviolet radiation, micrometeoroids and debris, contamination, and particle radiation. The main objective of this document is to provide a decision tool to designers for designing spacecraft and structures. This document identifies the space environments that will affect the performance of materials and components, e.g., thermal-optical property changes of paints due to UV exposures, AO-induced surface erosion of composites, dimensional changes due to thermal cycling, vacuum-induced moisture outgassing, and surface optical changes due to AO/UV exposures. Where appropriate, relationships between the space environment and the attendant material/system effects are identified. Part 1 covers spacecraft design considerations for the space environment; advanced composites; polymers; adhesives; metals; ceramics; protective coatings; and lubricants, greases, and seals.

Silverman, Edward M.↗

Space environmental effects on spacecraft: LEO materials selection guide, part 2

This document provides performance properties on major spacecraft materials and subsystems that have been exposed to the low-Earth orbit (LEO) space environment. Spacecraft materials include metals, polymers, composites, white and black paints, thermal-control blankets, adhesives, and lubricants. Spacecraft subsystems include optical components, solar cells, and electronics. Information has been compiled from LEO short-term spaceflight experiments (e.g., space shuttle) and from retrieved satellites of longer mission durations (e.g., Long Duration Exposure Facility). Major space environment effects include atomic oxygen (AO), ultraviolet radiation, micrometeoroids and debris, contamination, and particle radiation. The main objective of this document is to provide a decision tool to designers for designing spacecraft and structures. This document identifies the space environments that will affect the performance of materials and components, e.g., thermal-optical property changes of paints due to UV exposures, AO-induced surface erosion of composites, dimensional changes due to thermal cycling, vacuum-induced moisture outgassing, and surface optical changes due to AO/UV exposures. Where appropriate, relationships between the space environment and the attendant material/system effects are identified. Part 2 covers thermal control systems, power systems, optical components, electronic systems, and applications.

Silverman, Edward M.↗

Combined Contamination and Space Environmental Effects on Solar Cells and Thermal Control Surfaces

For spacecraft in low Earth orbit (LEO), contamination can occur from thruster fuel, sputter contamination products and from products of silicone degradation. This paper describes laboratory testing in which solar cell materials and thermal control surfaces were exposed to simulated spacecraft environmental effects including contamination, atomic oxygen, ultraviolet radiation and thermal cycling. The objective of these experiments was to determine how the interaction of the natural LEO environmental effects with contaminated spacecraft surfaces impacts the performance of these materials. Optical properties of samples were measured and solar cell performance data was obtained. In general, exposure to contamination by thruster fuel resulted in degradation of solar absorptance for fused silica and various thermal control surfaces and degradation of solar cell performance. Fused silica samples which were subsequently exposed to an atomic oxygen/vacuum ultraviolet radiation environment showed reversal of this degradation. These results imply that solar cells and thermal control surfaces which are susceptible to thruster fuel contamination and which also receive atomic oxygen exposure may not undergo significant performance degradation. Materials which were exposed to only vacuum ultraviolet radiation subsequent to contamination showed slight additional degradation in solar absorptance.

Dever, Joyce A.↗