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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Differential evolution: Global search problem in LEED-IV surface structural analysis

The search process associated with the quantitative theory–experiment comparison in Low Energy Electron Diffraction surface structural analysis can be very time consuming, especially in the case of complex materials with many atoms in the unit cell. Global search algorithms need to be employed to locate the global minimum of the reliability factor in the multi-dimensional structural parameter space. In this study we investigate the use of the Differential Evolution algorithm in Low Energy Electron Diffraction structural analysis. Despite the simplicity of its mechanism the Differential Evolution algorithm presents an impressive performance when applied to ultra-thin films of BaTiO{sub 3}(001) in a theory–theory comparison. A scaling relation of N{sup (1.47} {sup ±} {sup 0.08)} was obtained, where N is the total number of parameters to be optimized. - Highlights: • We investigated the use of the Differential Evolution algorithm (DE) for the LEED search problem. • The DE method was applied to the optimization of the surface structure of the BaTiO{sub 3}(001) ultra-thin films. • A very favorable scaling relation of N{sup 1.47} was obtained, where N is the total number of parameters to be optimized.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Crystal growth and anisotropy of high temperature thermoelectric properties of yttrium borosilicide single crystals

We studied thermoelectric properties of YB{sub 41}Si{sub 1.3} single crystals grown by the floating zone method. The composition of the grown crystal was confirmed by electron probe micro-analysis. We have determined the growth direction for the first time for these borosilicides, and discovered relatively large anisotropy in electrical properties. We measured the electrical resistivity and Seebeck coefficient along [510] (the growth direction) and [052] directions and we found that this crystal exhibits strong electrical anisotropy with a maximum of more than 8 times. An interesting layered structural feature is revealed along [510] with dense boron cluster layers and yttrium layers, with conductivity enhanced along this direction. We obtained 3.6 times higher power factor along [510] compared to that along [052]. Although the ZT of the present system is low, anisotropy in the thermoelectric properties of a boride was reported for the first time, and can be a clue in developing other boride systems also. - Graphical abstract: The growth direction ([510]) was determined for the first time in YB{sub 41}Si{sub 1.3} single crystals and revealed an interesting layered feature of boron clusters and metal atoms, along which the electrical conductivity and thermoelectric power factor was strongly enhanced. - Highlights: • We have grown YB{sub 41}Si{sub 1.3} single crystals by the floating zone method. • Growth direction of [510] determined for first time in REB{sub 41}Si{sub 1.2}. • Electrical resistivity was strongly anisotropic with possible enhancement along metal layers. • The obtained power factor along [510] is 3.6 times higher than that along [052].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Enhanced visible-light-driven photocatalytic activities of Bi2Fe4O9/g-C3N4 composite photocatalysts

Highlights: • The novel Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} composite photocatalysts have been designed and prepared. • Combination of Bi{sub 2}Fe{sub 4}O{sub 9} and g-C{sub 3}N{sub 4} could enhance the visible-light-driven photocatalytic degradation for RhB. • The effects of Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} weight ratios on photocatalytic performance in the composite have been discussed. • The Z-scheme photocatalytic mechanism was proposed and discussed in detail. - Abstract: A series of Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} composite photocatalysts are prepared via a facile mixing-calcination method. The crystal structures of composites are investigated by X-ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR). The Field Emission Scanning Electron Microscope (FE-SEM) in combination with Energy Dispersive X-ray Spectroscopy (EDS) mapping analysis and Transmission Electron Microcopy (TEM) images illustrate the uniform distribution of constituent elements and clear interface between Bi{sub 2}Fe{sub 4}O{sub 9} and g-C{sub 3}N{sub 4} component. The visible-light-driven photocatalytic rates of Rhodamine B over Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} composites increase and then decrease with the increase of g-C{sub 3}N{sub 4} content. The effects of Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} weight ratios on photocatalytic performance are thoroughly discussed. Meanwhile, the active species trapping experiments and the electrochemical impedance spectra as well as the electronic energy-band structure estimation analysis demonstrate that the photocatalytic mechanism for Bi{sub 2}Fe{sub 4}O{sub 9}/g-C{sub 3}N{sub 4} composites is ascribed to the Z-scheme. In addition, the recyclability and stability experiments of the composite are also studied.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effects of electromagnetic wiggler and ion channel guiding on equilibrium orbits and waves propagation in a free electron laser

In this paper, an analysis of equilibrium orbits for electrons by a simultaneous solution of the equation of motion and the dispersion relation for electromagnetic wave wiggler in a free-electron laser (FEL) with ion-channel guiding has been presented. A fluid model has been used to investigate interactions among all possible waves. The dispersion relation has been derived for electrostatic and electromagnetic waves with all relativistic effects included. This dispersion relation has been solved numerically. For group I and II orbits, when the transverse velocity is small, only the FEL instability is found. In group I and II orbits with relatively large transverse velocity, new couplings between other modes are found.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Analysis of neoclassical tearing mode stabilization experiment by electron cyclotron injection in KSTAR

We report the neoclassical tearing mode (NTM) stabilization experimental results by injection of the electron cyclotron (EC) beam in KSTAR, and its analysis with integrated modelling. In the KSTAR experiment, NTM was intentionally induced and the EC beam was injected by the plasma control system (PCS) to stabilize it. Here, the EC angle was controlled based on the minimum seeking algorithm for the island growth rate. Although the EC angle was not changed significantly, the island width significantly decreased towards the end of the experiment followed by the recovery of plasma performance. To assess the NTM stabilization experiment from a stability perspective, we performed integrated modelling with TRIASSIC utilizing the reconstructed equilibrium with magnetic diagnostics and motional stark effect diagnostics. As a result, we observed that the NTM is stabilized by EC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Determining Stress in Metallic Conducting Layers of Microelectronics Devices Using High Resolution Electron Backscatter Diffraction and Finite Element Analysis

Delayed failure due to stress voiding is a concern with some aging microelectronics, as these voids can grow large enough to cause an open circuit. Local measurements of stress in the metallic layers are crucial to understanding and predicting this failure, but such measurements are complicated by the fact that exposing the aluminum conducting lines will relieve most of their stress. In this study, we instead mechanically thin the device substrate and measure distortions on the thinned surface using high resolution electron backscatter diffraction (HREBSD). These measurements are then related to the stresses in the metallic layers through elastic simulations. This study found that in legacy components that had no obvious voids, the stresses were comparable to the theoretical stresses at the time of manufacture (≈300 MPa). Distortion fields in the substrate were also determined around known voids, which may be directly compared to stress voiding models. In conclusion, the technique presented here for stress determination, HREBSD coupled with finite element analysis to infer subsurface stresses, is a valuable tool for assessing failure in layered microelectronics devices.

HREBSD↗
DOE OSTI2020

Analysis of fission product distribution and composition in the TRISO layers of AGR-2 fuel

The Advanced Gas Reactor Fuel Qualification and Development Program's second irradiation experiment focuses on the performance of fuel particles produced in an industrial-scale coating system. Ongoing post-irradiation examination efforts include exploration of tristructural-isotropic (TRISO)-coated particle fuel in the as-irradiated state and subjected to elevated temperatures to simulate accident conditions (safety testing). Scanning electron microscopy (SEM) analysis with energy dispersive x-ray spectroscopy (EDS) was used to show the distribution of fission products within the TRISO layers. The SEM analysis showed a variation of fission product distribution within the TRISO layers based on irradiation temperature, burnup, individual particle fission product inventory retention, safety testing history and kernel composition. Finally, a key observation is that particles which likely experienced higher temperature showed a greater diversity and distribution of fission products and actinides in the IPyC and SiC layers, implying that temperature is a dominant variable influencing the transport of radionuclides in TRISO particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Dynamic recrystallization kinetics and microstructure evolution of an AZ91D magnesium alloy during hot compression

Highlights: • DRX kinetic model is developed for the aged AZ91D magnesium alloy. • The DRX behavior in different strained regions was investigated. • Four morphologies of the second phase were proposed during the hot compression tests. • The nucleation mechanisms of the DRX grains were clarified. - Abstract: The flow behavior of as-cast AZ91D magnesium alloy was evaluated by isothermal compression tests within the temperatures of 220 °C, 260 °C, 300 °C, 340 °C, and 380 °C, and the strain rates of 0.001, 0.01, 0.1, 1 and 10s{sup −1}. Based on the stress-strain curve and hyperbolic sine function, the thermal activation energy and the strain rate sensitivity of the material were determined to be 142.2726 kJ·mol{sup −1} and 0.142, respectively. The S type evolution of the dynamic recrystallization with the increasing strain that dynamic recrystallization (DRX) model obtained from stress and strain data. There was a good consistency between the proposed DRX kinetics model and microstructure observation results. Combining isothermal compression specimens with finite element and scanning electron microscopy (SEM) analysis indicated that the sample can be divided into rarely recrystallized region, partially recrystallized region and completely recrystallized region, which falls within the dense deformation zone, free deformation zone and severe deformation zone, respectively. The different forms of the β-Mg{sub 17}Al{sub 12} phase induced by compression tests were confirmed by SEM. Nucleation mechanisms of the DRX were discussed with reference to the transmission electron microscope (TEM) analysis results.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Halo-independent analysis of direct dark matter detection through electron scattering

Sub-GeV mass dark matter particles whose collisions with nuclei would not deposit sufficient energy to be detected, could instead be revealed through their interaction with electrons. Analyses of data from direct detection experiments usually require assuming a local dark matter halo velocity distribution. In the halo-independent analysis method, properties of this distribution are instead inferred from direct dark matter detection data, which allows then to compare different data without making any assumption on the uncertain local dark halo characteristics. Furthermore, this method has so far been developed for and applied to dark matter scattering off nuclei. Here we demonstrate how this analysis can be applied to scattering off electrons.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Changes in microstructure characteristics of cement paste on carbonation

This study investigates the influence of carbonation on the microstructure of cement paste cast with Ordinary Portland Cement (OPC), fly ash based Portland Pozzolana Cement (PPC) and Limestone Calcined Clay Cement (LC{sup 3}) using X-ray diffraction (XRD), thermal analysis (TGA), scanning electron microscope (SEM) and mercury intrusion porosimeter (MIP). A comparison is made between samples exposed to 3% carbon dioxide concentration and those exposed to natural CO{sub 2} concentrations. It is observed that the products formed on carbonation are similar in both the exposure conditions. Distinct rims corresponding to decalcified C-S-H are observed around clinker grains in the carbonated samples. Coarsening of pore structure is observed on carbonation in all the cements and an increase in the total porosity is observed in blended cements. Thermodynamic modeling indicates irrespective of the type of cement the total solid volume is reduced on complete carbonation. The volume change occurring on carbonation obtained from experimental results and thermodynamic modeling are compared.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Optimizing dicyandiamide pretreatment conditions for enhanced structure and electronic properties of polymeric graphitic carbon nitride

Graphitic carbon nitride, a polymeric semiconductor, possesses a distinctive electronic band structure and exceptional chemical stability, making it a highly promising material for various catalytic applications such as electrocatalysis, photocatalysis, and photo-electrocatalysis. However, its practical applications remain limited due to its low active site density and poor electrical conductivity. In this study, to overcome such limitations, we have conducted a thorough investigation to explore the impact of dicyandiamide (DCDA) precursor pretreatment prior to thermal polymerization to graphitic carbon nitride. The DCDA precursor was subjected to various pretreatment methods including grinding using mortar and pestle, recrystallization through stirring or probe sonication after dissolving in deionized water, and freeze drying, prior to thermal polymerization at 550 °C for 2 hours. The structural and morphological properties of the catalysts prepared were compared and characterized by X-ray diffraction (XRD), attenuated total reflectance–Fourier transform infrared (ATR-IR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) analysis while the electronic band gap properties were determined based on density functional theory (DFT) calculations for a set of crystalline systems having C/N ratios similar to those identified experimentally. In comparison to direct thermal polymerization, pretreated samples rendered the same product yield, diverse morphologies with flat or wrinkle structures, and reduced electrochemical resistance, making them suitable for use in various catalytic processes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electrochemical cofactor recycling of bacterial microcompartments

Bacterial microcompartments (BMCs) are prokaryotic organelles that consist of a protein shell which sequesters metabolic reactions in its interior. While most of the substrates and products are relatively small and can permeate the shell, many of the encapsulated enzymes require cofactors that must be regenerated inside. We have analyzed the occurrence of an enzyme previously assigned as a cobalamin (vitamin B 12 ) reductase and, curiously, found it in many unrelated BMC types that do not employ B 12 cofactors. We propose Nicotinamide adenine dinucleotide (NAD+) regeneration as the function of this enzyme and name it Metabolosome Nicotinamide Adenine Dinucleotide Hydrogen (NADH) dehydrogenase (MNdh). Its partner shell protein BMC-T SE (tandem domain BMC shell protein of the single layer type for electron transfer) assists in passing the generated electrons to the outside. We support this hypothesis with bioinformatic analysis, functional assays, Electron Paramagnetic Resonance spectroscopy, protein voltammetry, and structural modeling verified with X-ray footprinting. This finding represents a paradigm for the BMC field, identifying a new, widely occurring route for cofactor recycling and a new function for the shell as separating redox environments.

bacterial microcompartment↗
DOE OSTI2019

Physicochemical Properties and Structure of the Bone Matrix in Simulated Tuberculous Osteitis

The physicochemical properties and structure of the bone matrix are studied in a case of simulated tuberculous osteitis without treatment and after a full course of specific antibacterial therapy. Using X-ray diffraction, infrared spectroscopy, thermal analysis, and scanning electron microscopy, we revealed that tuberculous osteitis causes fine disintegration of the bone matrix due to an increase in nonstoichiometric hydroxyapatite, formation of amorphous calcium phosphates, and a decrease of the organic phase, which is accompanied by embrittlement of the bone matrix. Excessive growth of carbonate-hydroxyapatite crystals of a mixed AB substitution type leads to excessive osteogenesis, accompanied by the uncontrolled growth of bone trabeculae. The presence of “liming” regions in the crystal lattice of hydroxyapatite increases the “binding” properties of the bone matrix in which mycobacteria are immobilized and removed in the composition of detritus.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Imaging and Analysis of Insoluble Electrorefiner Material

Throughout pyroprocessing efforts at the Hot Fuel Examination Facility (HFEF), insoluble material has accumulated in the Electrorefiner (ER) vessel. The objective of this effort was to analyze the accumulated material to determine its origin. Material was removed from the ER salt bath and distilled to remove excess salt prior to performing analysis. Three samples were sent for chemical and isotopic analysis and underwent an ethyl acetate-bromine dissolution to segregate the oxide fraction from the metal fraction. Actinide concentrations were determined using a quadrupole–inductively coupled plasma–mass spectrometer (Q-ICP-MS). Three additional samples were sent for morphologic and elemental analysis by scanning electron microscopy (SEM) with Energy Dispersive X-ray (EDX) analysis at the Irradiated Materials Characterization Laboratory (IMCL). Analyses suggest that the material is primarily composed of UO2. with a small fraction of metal. This study draws no single conclusion as to the origin of the insoluble material in the ER. The particle sizes and morphologies observed in SEM micrographs indicate that the larger particles observed may be a result of introducing material to the ER that has not been completely reduced in Oxide Reduction (OR) operations, which precede electrorefining. Smaller particles may be due to reactions with oxygen and moisture present in HFEF. This research suggests that microscopic analysis of fuel particles before and after OR operations (including after distillation) as well as the uranium product collected on the cathode in the ER would increase understanding about particle morphology within the pyrochemical process.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1978

Test and analysis of a Northrup collector controller

The collector controller was examined as a functioning control system that drives the Northrup collector from east to west to follow the sun then back to the east at sundown in readiness for the next sunrise. The major components were examined separately with particular emphasis placed on an analysis of the electronic drive circuit. Results are presented from hardware testing and analysis with recommended changes to improve the system.

Scott, D. R.↗
NASA NTRS2017

Space Weathering Experiments on Spacecraft Materials

A project to investigate space environment effects on specific materials with interest to remote sensing was initiated in 2016. The goal of the project is to better characterize changes in the optical properties of polymers found in multi-layered spacecraft insulation (MLI) induced by electron bombardment. Previous analysis shows that chemical bonds break and potentially reform when exposed to high energy electrons like those seen in orbit. These chemical changes have been shown to alter a material's optical reflectance, among other material properties. This paper presents the initial experimental results of MLI materials exposed to various fluences of high energy electrons, designed to simulate a portion of the geosynchronous Earth orbit (GEO) space environment. It is shown that the spectral reflectance of some of the tested materials changes as a function of electron dose. These results provide an experimental benchmark for analysis of aging effects on satellite systems which can be used to improve remote sensing and space situational awareness. They also provide preliminary analysis on those materials that are most likely to comprise the high area-to-mass ratio (HAMR) population of space debris in the geosynchronous orbit environment. Finally, the results presented in this paper serve as a proof of concept for simulated environmental aging of spacecraft polymers that should lead to more experiments using a larger subset of spacecraft materials.

Engelhart, D. P.↗
DOE OSTI2025

An integrated approach to examine fuel-cladding chemical interaction in HT9/U-10Zr metallic fast reactor fuels: Coupling machine learning with electron microscopy and local mechanical properties analysis

The metallic U-Zr nuclear fuel alloy has garnered renewed interest as a promising candidate for next-generation sodium-cooled fast reactors. Recent studies and technology assessments have identified several areas requiring improvements, enhanced knowledge, and reliable data to strengthen the U-Zr fuel design basis for qualification and commercial applications. One of the most challenging phenomena impacting this fuel system’s performance is fuel-cladding chemical interaction (FCCI). This work aimed to harvest FCCI data by examining selected HT9/U-10Zr (wt. %) fuel samples of prototypic full-length fuel pins through an integrated approach. This approach integrated scanning electron microscopy (SEM) microstructure characterization with localized mechanical properties examination to deepen understanding of FCCI phenomenon in HT9/U-10Zr fuel system. Particularly, this study focused on MFF fuel pins irradiated at Fast Flux Test Facility (FFTF), which aimed to qualify metallic fuel as a driver fuel for FFTF and to assess its viability for larger-scale fast reactors. Electron microscopy provided high confidence in detecting and distinguishing the different FCCI layers, while small-scale mechanical testing (SSMT) probed the mechanical properties of these layers. SEM examination of a MFF-2 pin 192167, with a time averaged inner cladding temperature (TICT) slightly over 500°C, revealed minimal cladding-side FCCI (cladding wastage). In contrast, significantly thicker cladding wastage comprising two distinct sublayers was observed in samples from the thermally hot MFF-3 pin 193045 and MFF-5 pin 195011 where the TICT ranged from 610-635°C. SSMT indicated complete embrittlement in the sublayer adjacent to the fuel and a tendency toward embrittlement in the other sublayer. Additionally, a new machine learning method was developed, validated, and used to quantify cladding wastage thickness. The machine learning method reliably predicted the wastage thickness across various fuel pins and sample cross-sections. Furthermore, the available cladding wastage data from HT9/U-10Zr fuel system demonstrated a strong temperature dependency. However, the dataset remains small, and ongoing research activities are essential to further understand the FCCI phenomenon and develop a reliable FCCI model for enhanced fuel performance simulation under various conditions.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

Economic analysis of precious metal recovery from electronic waste through gas-assisted microflow extraction

The recycling of end-of-life (EoL) electronic products is motivated by the enormous investment of resources in their creation and the environmental concerns associated with electronic waste (e-waste). Hydrometallurgical methods that utilize conventional leaching and solvent extraction are often applied to extract target materials from e-waste; however, these techniques have significant technical and economic limitations when extracting high-value, low concentration metals from complex waste streams. This study proposes and evaluates a novel process based on gas-assisted microflow extraction (GAME) that efficiently recovers precious metals from waste printed circuit boards (WPCBs). Further, an economic analysis is conducted to verify the economic feasibility of the GAME-based process at an industrial scale. The economic outputs are further investigated to identify the most cost-effective production strategies, particularly with respect to the plant feedstock rate. It is envisioned that this study may establish a paradigm for making economically-informed decisions for sustainable technologies.

42 ENGINEERING↗