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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.

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At least 847 records · Page 47

Effect of Zero Valent Iron Pre-treatments on Reductive Removal of Aqueous Tc-99 - 19379

Zero-valent iron (ZVI) is being investigated as a potential material for technetium-99 (Tc-99) reductive separation from the secondary liquid waste, i.e. off-gas condensate that will be generated during vitrification of the law activity waste (LAW) at the Hanford site. In this work, we performed a comparative analysis of Tc(VII) removal kinetics via its reduction with the commercially available ZVI materials varying in particle size (granules, filings, and 200 mesh). In addition to particle size differences, reduction removal potential was also evaluated as a function of as-received ZVI material versus a surface treatment. ZVI treatment experiments with 0.4 M HCl and 1 M NaCl were conducted to study the effect of iron oxide/oxyhydroxide formation on its reductive efficiency for aqueous Tc(VII) removal. Scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) analyses were conducted for all ZVI materials in the presence and absence of treatments to evaluate morphological differences (SEM) and chemical composition (EDS) of the materials. Reductive removal of Tc(VII) was also analyzed using a first-order kinetic model. The results of the study indicated that rate constants did not change with increased oxide/oxyhydroxide content in large ZVI materials (granules and filings), but decreased significantly for the relatively small ZVI (200 mesh), treated with 0.4 M HCl and 1 M NaCl. This study demonstrates that the commercial ZVI material 200 mesh, used as received, is a promising candidate for the removal of Tc from liquid secondary waste generated during Hanford LAW vitrification. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Triple and Quadruple Junctions Thermophotovoltaic Devices Lattice Matched to InP

Thermophotovoltaic (TPV) conversion of IR radiation emanating from a radioisotope heat source is under consideration for deep space exploration. Ideally, for radiator temperatures of interest, the TPV cell must convert efficiently photons in the 0.4-0.7 eV spectral range. Best experimental data for single junction cells are obtained for lattice-mismatched 0.55 eV InGaAs based devices. It was suggested, that a tandem InGaAs based TPV cell made by monolithically combining two or more lattice mismatched InGaAs subcells on InP would result in a sizeable efficiency improvement. However, from a practical standpoint the implementation of more than two subcells with lattice mismatch systems will require extremely thick graded layers (defect filtering systems) to accommodate the lattice mismatch between the sub-cells and could detrimentally affect the recycling of the unused IR energy to the emitter. A buffer structure, consisting of various InPAs layers, is incorporated to accommodate the lattice mismatch between the high and low bandgap subcells. There are evidences that the presence of the buffer structure may generate defects, which could extend down to the underlying InGaAs layer. The unusual large band gap lowering observed in GaAs(1-x)N(x) with low nitrogen fraction [1] has sparked a new interest in the development of dilute nitrogen containing III-V semiconductors for long-wavelength optoelectronic devices (e.g. IR lasers, detector, solar cells) [2-7]. Lattice matched Ga1-yInyNxAs1-x on InP has recently been investigated for the potential use in the mid-infrared device applications [8], and it could be a strong candidate for the applications in TPV devices. This novel quaternary alloy allows the tuning of the band gap from 1.42 eV to below 1 eV on GaAs and band gap as low as 0.6eV when strained to InP, but it has its own limitations. To achieve such a low band gap using the quaternary Ga1-yInyNxAs1-x, either it needs to be strained on InP, which creates further complications due to the creation of defects and short life of the device or to introduce high content of indium, which again is found problematic due to the difficulties in diluting nitrogen in the presence of high indium [9]. An availability of material of proper band gap and lattice matching on InP are important issues for the development of TPV devices to perform better. To address those issues, recently we have shown that by adjusting the thickness of individual sublayers and the nitrogen composition, strain balanced GaAs(1-x)N(x)/InAs(1-y)N(y) superlattice can be designed to be both lattice matched to InP and have an effective bandgap in the desirable 0.4- 0.7eV range [10,11]. Theoretically the already reduced band gap of GaAs(1-x)N(x), due to the nitrogen effects, can be further reduced by subjecting it to a biaxial tensile strain, for example, by fabricating pseudomorphically strained layers on commonly available InP substrates. While such an approach in principle could allow access to smaller band gap (longer wavelength), only a few atomic monolayers of the material can be grown due to the large lattice mismatch between GaAs(1-x)N(x) and InP (approx.3.8-4.8 % for x<0.05, 300K). This limitation can be avoided using the principle of strain balancing [12], by introducing the alternating layers of InAs(1-y)N(y) with opposite strain (approx.2.4-3.1% for x<0.05, 300K) in combination with GaAs(1-x)N(x). Therefore, even an infinite pseudomorphically strained superlattice thickness can be realized from a sequence of GaAs(1-x)N(x) and InAs(1-y)N(y) layers if the thickness of each layer is kept below the threshold for its lattice relaxation

Bhusal, L.↗

Alkali-activated materials

This paper, which forms part of the UNEP White Papers series on Eco-Efficient Cements, provides a brief discussion of the class of cementing materials known as ‘alkali-activated binders’, which are identified to have potential for utilization as a key component of a sustainable future global construction materials industry. These cements are not expected to offer a like-for-like replacement of Portland cement across its full range of applications, for reasons related to supply chain limitations, practical challenges in some modes of application, and the need for careful control of formulation and curing. However, when produced using locally-available raw materials, with well-formulated mix designs (including in particular consideration of the environmental footprint of the alkaline activator) and production under adequate levels of quality control, alkali-activated binders are potentially an important and cost-effective component of the future toolkit of sustainable construction materials.

36 MATERIALS SCIENCE↗

RCSB Protein Data Bank: supporting research and education worldwide through explorations of experimentally determined and computationally predicted atomic level 3D biostructures

The Protein Data Bank (PDB) was established as the first open-access digital data resource in biology and medicine in 1971 with seven X-ray crystal structures of proteins. Today, the PDB houses >210 000 experimentally determined, atomic level, 3D structures of proteins and nucleic acids as well as their complexes with one another and small molecules ( e.g. approved drugs, enzyme cofactors). These data provide insights into fundamental biology, biomedicine, bioenergy and biotechnology. They proved particularly important for understanding the SARS-CoV-2 global pandemic. The US-funded Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) and other members of the Worldwide Protein Data Bank (wwPDB) partnership jointly manage the PDB archive and support >60 000 `data depositors' (structural biologists) around the world. wwPDB ensures the quality and integrity of the data in the ever-expanding PDB archive and supports global open access without limitations on data usage. The RCSB PDB research-focused web portal at https://www.rcsb.org/ (RCSB.org) supports millions of users worldwide, representing a broad range of expertise and interests. In addition to retrieving 3D structure data, PDB `data consumers' access comparative data and external annotations, such as information about disease-causing point mutations and genetic variations. RCSB.org also provides access to >1 000 000 computed structure models (CSMs) generated using artificial intelligence/machine-learning methods. To avoid doubt, the provenance and reliability of experimentally determined PDB structures and CSMs are identified. Related training materials are available to support users in their RCSB.org explorations.

59 BASIC BIOLOGICAL SCIENCES↗

Osmium Isotope and Highly Siderophile Element Compositions of Lunar Orange and Green Glasses

The absolute and relative abundances of the highly siderophile elements (HSE) present in planetary mantles are primarily controlled by: 1) silicate-metal partitioning during core-mantle differentiation, 2) the subsequent addition of HSE to mantles via continued planetary accretion. Consequently, constraints on the absolute and relative abundances of the HSE in the lunar mantle will provide unique insights to the formation and late accretionary history of not only the Moon, but also Earth. Determining the HSE content of the lunar mantle, however, has proven difficult, because no bona fide mantle rocks have been collected from the moon. The only materials presently available for constraining mantle abundances are lunar volcanic rocks. Lunar basalts typically have very low concentrations of HSE and highly fractionated HSE patterns. Because of our extremely limited understanding of mantle melt partitioning of the HSE, even for terrestrial systems, extrapolations to mantle compositions from basaltic compositions are difficult, except possibly for the less compatible HSE Pt and Pd. Primitive, presumably less fractionated materials, such as picritic glasses are potentially more diagnostic of the lunar interior. Here we report Os isotopic composition data and Re, Os, Ir, Ru, Pt and Pd concentration data for green glass (15426,164) and orange glass (74001,1217). As with previous studies utilizing neutron activation analysis, we are examining different size fractions of the spherules to assess the role of surface condensation in the generation of the HSE abundances.

Walker, R. J.↗

Broadband Infrared Antireflection Structured Silicon Surfaces

Silicon and germanium are materials often used for IR windows and optical elements. However they have a very high index of refraction, in the order of three to four, which causes large reflection losses on each surface. These losses are especially high under large angles of incidence which are often desirable if signals are faint and fast optics are to be used. Solid antireflection coatings are either not available because materials with appropriate index of refraction do not exist, or their use is limited to a small wavelength range and small angles of incidence. We will present the status of our work to calculate, create, and test the performance of graded structures in Si to reduce its surface reflection. The structures are expected to work over the very broad wavelength range of 10 microns to 1000 microns and a wide range of angle of incidence. We have identified several high aspect ratio MEMS process techniques to create the structures and have done 3D electromagnetic modeling, which predicts significant effects. Measurements on different samples have validated our modeling.

Stewart, Kenneth↗

Broadband Infrared Antireflection Structured Silicon Surfaces

Silicon and germanium are materials often used for IR windows and optical elements. However they have a very high index of refraction, in the order of three to four, which causes large reflection losses on each surface. These losses are especially high under large angles of incidence which are often desirable if signals are faint and fast optics are to be used. Solid antireflection coatings are either not available because materials with appropriate index of refraction do not exist, or their use is limited to a small wavelength range and small angles of incidence. We will present the status of our work to calculate, create, and test the performance of graded structures in Si to reduce its surface reflection. The structures are expected to work over the very broad wavelength range of 10 to 1000 micrometers and a wide range of angle of incidence. We have identified several high aspect ratio MEMS process techniques to Create the structures and have done 3D electromagnetic modeling, which predicts significant effects. Measurements on different samples have validated our modeling.

Stewart, Kenneth↗

Broadband Infrared Antireflection Structured Silicon Surfaces

Silicon and germanium are materials often used for infrared (IR) windows and optical elements. However they have a very high index of refraction, in the order of three to four, which causes large reflection losses on each surface. These losses are especially high under large angles of incidence which are often desirable if signals are faint and fast optics are to be used. Solid antireflection coatings are either not available because materials with appropriate index of refraction do not exist, or their use is limited to a small wavelength range and small angles of incidence. We will present the status of our work to calculate, create, and test the performance of graded structures in Si to reduce its surface reflection. The structures are expected to work over the very broad wavelength range of 10 micron to 1000 micron and a wide range of angle of incidence. We.have identified several high aspect ratio MEMS process techniques to create the structures and have done 3D electromagnetic modeling, which predicts significant effects. Measurements on different samples have validated our modeling.

Stewart, Kenneth↗

Frontal polymerization of thermosets to enable vacuum-formed structural electronics

Material design and accessible manufacturing are often at odds with each other, calling for creative solutions to adapt high-performance materials to available processes. This challenge is represented well by in-mold electronics, an innovative approach to the manufacture of 3D circuitry and electronic components that offers game-changing advantages. In-mold electronics relies on vacuum forming processes, which are historically limited to thermoplastics. Extending these methods to include thermosets would enable manufacturing of robust components with desirable properties. Here, we provide a solution to make thermoset materials amenable to vacuum forming. Specifically, an ambient polymerization is used to transition a liquid monomeric solution to an elastomeric gel. These free-standing gels can then be vacuum formed, and the reaction can be completed via frontal polymerization. Thermoset materials produced with this method have properties that provide benefits over traditionally employed thermoplastic substrates and enable 3D device integration into environmentally demanding architectural, automotive, and extraterrestrial structures.

Fowler, Hayden Elise [Sandia National Laboratories↗

Ultrathin Microporous Transport Layers: Implications for Low Catalyst Loadings, Thin Membranes, and High Current Density Operation for Proton Exchange Membrane Electrolysis

Porous transport layers (PTL) and their surface properties have the potential to improve the performance of proton exchange membrane water electrolyzers (PEMWE), which is imperative to reduce feedstock costs and lead to their widespread implementation. This work introduces a novel generation of titanium microporous layers (MPLs) with ultra-low thicknesses of approx. 20 um which reduces raw material costs. They also feature advanced interfacial properties tailored to maximize catalyst utilization at low Ir-loadings. The bulk morphology and surface properties of the hierarchically structured PTLs are assessed by X-ray tomographic microscopy. The low surface roughness of the MPL allows the use of thinner membranes since it minimizes possible deformations in the membrane. Cells containing the MPLs outperformed those containing state-of-the-art commercially available PTL materials by up to 100 mV at 7 A cm-2 in combination with low-loaded catalyst-coated membranes of 0.4 mgIr cm-2. Hydrogen crossover is also reduced, especially at low current densities, leading to a larger turndown ratio which can enable more cost-effective operating strategies. Finally, these rationally designed MPLs also lead to high catalyst utilization by overcoming the naturally occurring high in-plane resistance of low-loaded catalyst layers.

hydrogen crossover↗

Carbon Fiber Composite Materials for Automotive Applications

Volkswagen (VW) is internationally recognized for quantity and quality of world-wide vehicle production and the Oak Ridge National Laboratory (ORNL) is internationally recognized in materials research and development. With automotive production ramping up in the recently constructed VW Group of America facility in Chattanooga, Tennessee, ORNL and VW initiated discussions in 2012 concerning opportunities for collaboration around ORNL’s carbon fiber and composites programs. ORNL is conducting an internationally recognized program to develop and implement lower cost carbon fibers and composites for automotive and other “energy missions” for the US Department of Energy. Significant effort is ongoing in selecting, developing, and evaluating alternative precursors, developing and demonstrating advanced conversion techniques, and developing and tailoring surface treatment, sizings, and formatting fiber for specific composite matrices and end-use applications. ORNL already had North America’s most comprehensive suite of tools for carbon fiber research and development and established a semiproduction demonstration line referred to as the Carbon Fiber Technology Facility (CFTF) to facilitate implementation of low cost carbon fiber (LCCF) approaches in early 2013. ORNL and VW agreed to collaborate in a formal Cooperative Research and Development Agreement (NFE-12-03992) specifically focused on evaluating applicability of low cost carbon fiber products for potential vehicle components. The goal of the work outlined in this report was to develop and qualify uses for carbon fiber-reinforced structures in connection with civilian ground transportation. Significant progress was achieved in evaluating and understanding lignin-based precursor materials; however, availability of carbon fiber converted from lignin precursor combined with logistical issues associated with the Visa limitations for the VW participant resulted in significantly shortening of the collaboration period and development of the targeted application(s). Alternatively, objectives of this work have been refined and are now largely being pursued through the involvement of ORNL and VW participation in the more recently established Innovation for Advanced Composites Manufacturing Innovation (IACMI) where composite materials applications are being demonstrated in a much larger scope.

36 MATERIALS SCIENCE↗

SiC Recession Due to SiO2 Scale Volatility Under Combustor Conditions

One of today's most important and challenging technological problems is the development of advanced materials and processes required to design and build a fleet of supersonic High Speed Civil Transport (HSCT) airliners, a follow-up to the Concorde SST. The innovative combustor designs required for HSCT engines will need high-temperature materials with long-term environmental stability. Higher combustor liner temperatures than today's engines and the need for lightweight materials will require the use of advanced ceramic-matrix composites (CMC's) in hot-section components. The HSCT is just one example being used to demonstrate the need for such materials. This thesis evaluates silicon carbide (SiC) as a potential base material for HSCT and other similar applications. Key issues are the environmental durability for the materials of interest. One of the leading combustor design schemes leads to an environment which will contain both oxidizing and reducing gas mixtures. The concern is that these environments may affect the stability of the silica (SiO2) scale on which SiC depends for environmental protection. A unique High Pressure Burner Rig (HPBR) was developed to simulate the combustor conditions of future gas turbine engines, and a series of tests were conducted on commercially available SiC material. These tests are intended as a feasibility study for the use of these materials in applications such as the HSCT. Linear weight loss and surface recession of the SiC is observed as a result of SiO2 volatility for both fuel-lean and fuel-rich gas mixtures. These observations are compared and agree well with thermogravimetric analysis (TGA) experiments. A strong Arrhenius-type temperature dependence exists. In addition, the secondary dependencies of pressure and gas velocity are defined. As a result, a model is developed to enable extrapolation to points outside the experimental space of the burner rig, and in particular, to potential gas turbine engine conditions.

Robinson, Raymond Craig↗

Structural, Physical, and Compositional Analysis of Lunar Simulants and Regolith

Relative to the prior manned Apollo and unmanned robotic missions, planned Lunar initiatives are comparatively complex and longer in duration. Individual crew rotations are envisioned to span several months, and various surface systems must function in the Lunar environment for periods of years. As a consequence, an increased understanding of the surface environment is required to engineer and test the associated materials, components, and systems necessary to sustain human habitation and surface operations. The effort described here concerns the analysis of existing simulant materials, with application to Lunar return samples. The interplay between these analyses fulfills the objective of ascertaining the critical properties of regolith itself, and the parallel objective of developing suitable stimulant materials for a variety of engineering applications. Presented here are measurements of the basic physical attributes, i.e. particle size distributions and general shape factors. Also discussed are structural and chemical properties, as determined through a variety of techniques, such as optical microscopy, SEM and TEM microscopy, Mossbauer Spectroscopy, X-ray diffraction, Raman microspectroscopy, inductively coupled argon plasma emission spectroscopy and energy dispersive X-ray fluorescence mapping. A comparative description of currently available stimulant materials is discussed, with implications for more detailed analyses, as well as the requirements for continued refinement of methods for simulant production.

Greenberg, Paul↗

Ionic Dynamics of the Charge Carrier in Layered Solid Materials for Mg Rechargeable Batteries

Multivalent-ion batteries have attracted growing attention due to their high theoretical energy density that potentially outperforms Li-ion batteries. One of the critical challenges of realizing a multivalent-ion battery is the strong polarization that results in the sluggish intercalation of ions in the host lattice, which motivates a fundamental understanding of multivalent-ion dynamics in solid-state materials. In this contribution, we investigate the diffusion mechanisms of divalent ions in a novel Mg anode coating, BiOCl, using first-principles informed learning-on-the-fly molecular dynamics. Based on nanosecond-scale dynamics observations, we gained insights into the concerted diffusion mechanism of Mg cation site-to-site hopping facilitated by synchronous anion rotational motion. Furthermore, we compute the Mg-ion diffusion in additional candidate host structures screened from available layered materials space. Here, the results suggest the co-operative divalent cation-anion motion is likely a common phenomenon in layered oxyhalide structures. Our findings provide a new perspective on how to enhance multivalent-ion diffusion in layered materials.

25 ENERGY STORAGE↗

The MIDAS touch for Accurately Predicting the Stress-Strain Behavior of Tantalum

Testing the behavior of metals in extreme environments is not always feasible, so material scientists use models to try and predict the behavior. To achieve accurate results it is necessary to use the appropriate model and material-specific parameters. This research evaluated the performance of six material models available in the MIDAS database [1] to determine at which temperatures and strain-rates they perform best, and to determine to which experimental data their parameters were optimized. Additionally, parameters were optimized for the Johnson-Cook model using experimental data from Lassila et al [2].

36 MATERIALS SCIENCE↗

Improved ASTM G72 Test Method for Ensuring Adequate Fuel-to-Oxidizer Ratios

The ASTM G72/G72M-15 Standard Test Method for Autogenous Ignition Temperature of Liquids and Solids in a High-Pressure Oxygen-Enriched Environment is currently used to evaluate materials for the ignition susceptibility driven by exposure to external heat in an enriched oxygen environment. Testing performed on highly volatile liquids such as cleaning solvents has proven problematic due to inconsistent test results (non-ignitions). Non-ignition results can be misinterpreted as favorable oxygen compatibility, although they are more likely associated with inadequate fuel-to-oxidizer ratios. Forced evaporation during purging and inadequate sample size were identified as two potential causes for inadequate available sample material during testing. In an effort to maintain adequate fuel-to-oxidizer ratios within the reaction vessel during test, several parameters were considered, including sample size, pretest sample chilling, pretest purging, and test pressure. Tests on a variety of solvents exhibiting a range of volatilities are presented in this paper. A proposed improvement to the standard test protocol as a result of this evaluation is also presented. Execution of the final proposed improved test protocol outlines an incremental step method of determining optimal conditions using increased sample sizes while considering test system safety limits. The proposed improved test method increases confidence in results obtained by utilizing the ASTM G72 autogenous ignition temperature test method and can aid in the oxygen compatibility assessment of highly volatile liquids and other conditions that may lead to false non-ignition results.

Juarez, Alfredo↗

Improved ASTM G72 Test Method for Ensuring Adequate Fuel-to-Oxidizer Ratios

The ASTM G72/G72M-15 Standard Test Method for Autogenous Ignition Temperature of Liquids and Solids in a High-Pressure Oxygen-Enriched Environment is currently used to evaluate materials for the ignition susceptibility driven by exposure to external heat in an enriched oxygen environment. Testing performed on highly volatile liquids such as cleaning solvents has proven problematic due to inconsistent test results (non-ignitions). Non-ignition results can be misinterpreted as favorable oxygen compatibility, although they are more likely associated with inadequate fuel-to-oxidizer ratios. Forced evaporation during purging and inadequate sample size were identified as two potential causes for inadequate available sample material during testing. In an effort to maintain adequate fuel-to-oxidizer ratios within the reaction vessel during test, several parameters were considered, including sample size, pretest sample chilling, pretest purging, and test pressure. Tests on a variety of solvents exhibiting a range of volatilities are presented in this paper. A proposed improvement to the standard test protocol as a result of this evaluation is also presented. Execution of the final proposed improved test protocol outlines an incremental step method of determining optimal conditions using increased sample sizes while considering test system safety limits. The proposed improved test method increases confidence in results obtained by utilizing the ASTM G72 autogenous ignition temperature test method and can aid in the oxygen compatibility assessment of highly volatile liquids and other conditions that may lead to false non-ignition results.

Juarez, Alfredo↗