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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Antimony diffusion in CdTe

Group V dopants may be used for next-generation high-voltage cadmium telluride (CdTe) solar photovoltaics, but fundamental defect energetics and kinetics need to be understood. Here, antimony (Sb) diffusion is studied in single-crystal and polycrystalline CdTe under Cd-rich conditions. Diffusion profiles are determined by dynamic secondary ion mass spectroscopy and analyzed with analytical bulk and grain-boundary diffusion models. Slow bulk and fast grain-boundary diffusion are found. Density functional theory is used to understand formation energy and mechanisms. Lastly, the theory and experimental results create new understanding of group V defect kinetics in CdTe.

14 SOLAR ENERGY↗
DOE OSTI2018

Correction for Metastability in the Quantification of PID in Thin-Film Module Testing

A fundamental change in the analysis for the accelerated stress testing of thin-film modules is proposed, whereby power changes due to metastability and other effects that may occur due to the thermal history are removed from the power measurement that we obtain as a function of the applied stress factor. In this work, initial thermal treatment of the module is performed before application of the independent variable stress of system voltage so that any temperature-dependent processes (e.g., diffusion) that affect the module power are largely activated beforehand. Secondly, the power of reference modules normalized to an initial state-undergoing the same thermal and light exposure history but without the applied stress factor such as humidity or voltage bias-is subtracted from that of the stressed modules. For better understanding and appropriate application in standardized tests, the method is demonstrated and discussed for potential-induced degradation testing in view of the paralleloccurring but unrelated physical mechanisms that can lead to confounding power changes in the module.

14 SOLAR ENERGY↗
DOE OSTI2019

Interaction of Long-lived Reactive Species from Cold Atmospheric Pressure Plasma with Polymers: Chemical Modification by Ozone and Reactive Oxygen-Nitrogen Species

Atmospheric pressure plasma (APP) sources are able to generate a variety of reactive species that have different effects on materials, such as functionalization, etching and deposition. In this article, we study the effect of long-lived reactive neutral species on polymers using a model plasma-surface interaction (PSI) system that consists of ultra-thin (~10 nm) polystyrene (PS) films and a surface micro-discharge (SMD) reactor operated with various N 2 /O 2 working gas mixtures. We characterized and quantified the reactive species generated by SMD using IR and UV absorption, and we found that O 3 , N 2 O 5 , N 2 O and HNO 3 are the dominant long-lived reactants near the target surface. When exposing PS films to these reactive species, we observed material responses including film thickness expansion, surface and bulk oxidation, and surface organic nitrate formation. The quantity of these changes varied with the N 2 /O 2 working gas composition. By correlating material response with gas phase species, we find that the chemical modification of PS strongly depends on the density of O 3 in the gas phase, which is indicative of an essential role of O 3 in the remote APP treatment of polymers. Our results show that O 3 causes polymer surface oxidation, participates in the diffusion-reaction process in the polymer bulk, and results in aromatic ring cleavage and the formation of carbonyl groups. In contrast, we did not find a correlation between surface organic nitrate and individual long-lived reactive species mentioned above. This indicates that surface organic nitrate formation on polymer surfaces might result from the interaction of multiple reactive species, including O 3 and nitrogen containing species. A model for the interphase mass transfer of reactive species from gas to solid was also described.

36 MATERIALS SCIENCE↗
DOE OSTI2019

How heteroepitaxy occurs on strontium titanate

In traditional models of heteroepitaxy, the substrate serves mainly as a crystalline template for the thin-film lattice, dictating the initial roughness of the film and the degree of coherent strain. Here, performing in situ surface x-ray diffraction during the heteroepitaxial growth of LaTiO 3 on SrTiO 3 (001), we find that a TiO 2 adlayer composed of the ( 13 × 13 ) R 33.7° and ( 2 × 2 ) R 45.0° reconstructions is a highly active participant in the growth process, continually diffusing to the surface throughout deposition. The effects of the TiO 2 adlayer on layer-by-layer growth are investigated using different deposition sequences and anomalous x-ray scattering, both of which permit detailed insight into the dynamic layer rearrangements that take place. Our work challenges commonly held assumptions regarding growth on TiO 2 -terminated SrTiO 3 (001) and demonstrates the critical role of excess TiO 2 surface stoichiometry on the initial stages of heteroepitaxial growth on this important perovskite oxide substrate material.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Analysis of the Range of Applicability of Thermodynamic Calculations in the Engineering of Nitride Fuel Elements

The domains of applicability of thermodynamic calculations in the engineering of nitride fuel are analyzed. Characteristic values of the following parameters, which affect directly the concentration equilibration time, are estimated: nuclide production rate; characteristic times to local equilibrium in the considered temperature range; characteristic time needed for a stationary temperature profile to be established; characteristic time needed for a quasi-stationary concentration field to be established on a scale comparable to the size of a fuel pellet. It is demonstrated that equilibrium thermodynamic calculations are suitable for estimating the chemical and phase composition of fuel. However, a two-layer kinetic model should be developed in order to characterize the transport processes in condensed and gaseous phases. The process of diffusive transport needs to be taken into account in order to determine the composition in the hot region at the center of a fuel element.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Electrochemical characteristics of nanostructured silicon anodes for lithium-ion batteries

High-aspect periodic structures with thin vertical walls are studied as regards their applicability as negative electrodes of lithium-ion batteries. The nanostructures are fabricated from single-crystal silicon using photolithography, electrochemical anodization, and subsequent anisotropic shaping. The capacity per unit of the visible surface area of the electrode and the specific internal surface area are compared for structures of varied architecture: 1D (wires), 2D (zigzag walls), and 3D structures (walls forming a grid). Main attention is given to testing the endurance of anodes based on zigzag and grid structures, performed by galvanostatic cycling in half-cells with a lithium counter electrode. The influence exerted by the geometric parameters of the structures and by the testing mode on the degradation rate is determined. It is shown that the limiting factor of the lithiation and delithiation processes is diffusion. The endurance of an electrode dramatically increases when the charging capacity is limited to ∼1000 mA h/g. In this case, nanostructures with 300-nm-thick walls, which underwent cyclic testing at a rate of 0.36C, retain a constant discharge capacity and a Coulomb efficiency close to 100% for more than 1000 cycles.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Pseudocapacitive Charge Storage in Electrochromic Transition-Metal Oxide Thin Films

Electrochromic pseudocapacitive transition-metal oxide materials, such as tungsten oxide, which combine fast response, high energy density, and optical effects, can play a significant role as energy storage materials. Here we investigate the electrochemical kinetics of thin films of tungsten oxide, which turn transparent to sky-blue color in the lithiated state due to the reduction of W 6+ to W 5+ . In this study, we investigated the charge density, charge transfer, ion diffusion, and interfacial behavior upon Li + insertion/de-insertion in WO 3 . The electrochromic thin film's pseudocapacitive and electrical double layer mechanism was differentiated based on the power-law. Faradaic diffusion-controlled process dominates over the surface capacitive behavior at scan rates below 40 mV s –1 . These films exhibit an areal charge density of around 100 mC cm –2 and a capacitance of 80 mF cm –2 , superior to most comparable electrochromic materials and supercapacitors. This work combines electrochromics and energy storage properties and provides a fundamental understanding of pseudocapacitive and electrochromic mechanisms in WO 3 .

25 ENERGY STORAGE↗
DOE OSTI2024

Potential–Dependent BDAC Adsorption on Zinc Enabling Selective Suppression of Zinc Corrosion for Energy Storage Applications

Utility-scale zinc (Zn) batteries are a promising solution to address the problem of intermittency of renewable energy sources; however, Zn-metal anodes in these batteries suffer from capacity loss due to spontaneous corrosion of the Zn especially when high-surface area anode configurations are employed. Additionally, Zn dendrites are known to form during battery charging limiting the cycle-life of these batteries. Electrolyte additives have been explored that prevent aforementioned issues, but these too come at a cost, i.e., surface-blocking additives polarize the electrode surface leading to loss in the voltaic and energy efficiencies of the battery. In this contribution, a novel electrolyte additive, benzyldimethylhexadecylammonium chloride (BDAC), is investigated for its ability to suppresses corrosion of Zn in an acidic (pH = 3) electrolyte. An attribute of BDAC distinct from previously studied additives is that it selectively suppresses electrochemical activity when the Zn electrode is at its corrosion potential; however, during high-rate Zn deposition (charging) or stripping (discharging), BDAC is essentially deactivated and thus it does not appreciably polarize the electrode surface, thus minimizing voltaic efficiency losses. This selective corrosion suppression behavior is explored using slow-scan voltammetry, which reveals hysteresis implying a potential- or current-dependent BDAC adsorption mechanism in which BDAC reaches higher surface coverages when the partial currents at the Zn surface are low (e.g., at or near the corrosion potential), but BDAC coverage is reduced considerably when the Zn deposition or stripping rates are increased. Numerical simulations of the BDAC diffusion-adsorption process corroborate this mechanism. Ramifications of our approach to the selective suppression of Zn dendrites are discussed.

25 ENERGY STORAGE↗
DOE OSTI2018

Compact Heat Exchanger Design and Testing for Advanced Reactors and Advanced Power Cycles

The goal of the proposed research is to demonstrate the thermal hydraulic performance of innovative surface geometries in compact heat exchangers used as intermediate heat exchangers (IHXs) and recuperators for the supercritical carbon dioxide (s-CO 2 ) Brayton cycle. Printed-circuit heat exchangers (PCHEs) are the primary compact heat exchangers of interest. The overall objectives are: To develop optimized PCHE designs for different working fluid combinations including helium to s-CO 2 , liquid salt to s-CO 2 , sodium to s-CO 2 , and liquid salt to helium; To experimentally and numerically investigate thermal performance, thermal stress and failure mechanism of PCHEs under various transients; and To study diffusion bonding techniques for elevated-temperature alloys and examine post-test material integrity of the PCHEs. The project objectives were accomplished by defining and executing five different tasks corresponding to these specific objectives. The first task involved a thorough literature review and a selection of IHX candidates with different surface geometries as well as a summary of prototypic operational conditions. The second task involved optimization of PCHE design with numerical analyses of thermal-hydraulic performances and mechanical integrity. The subsequent task dealt with the development of testing facilities and engineering design of PCHE to be tested in s-CO 2 fluid conditions. The next task involved experimental investigation and validation of the thermal-hydraulic performances and thermal stress distribution of prototype PCHEs manufactured with particular surface geometries. The last task involved an investigation of diffusion bonding process and posttest destructive testing to validate mechanical design methods adopted in the design process. The experimental work utilized the two test facilities at The Ohio State University (OSU) including one existing High-Temperature Helium Test Facility (HTHF) and the newly developed s-CO 2 test loop (STL) facility and s-CO 2 test facility at University of Wisconsin – Madison (UW).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Evaluation of Oxygen Consumption as a Sensitive Measure of Electrical Cable Polymer Insulation Degradation

Polymers used as dielectric materials in nuclear grade electrical cables, such as cross-linked polyethylene (XLPE) and ethylene-propylene rubber (EPR), are long-lived and durable. Estimating the decades-long useful service life of polymers experimentally in a feasible timeframe of weeks or months requires greatly accelerated aging in the laboratory at elevated temperatures and/or gamma dose rates. Many limitations of accelerated aging, such as due to artefacts of the process including diffusion limited oxidation and dose rate effects, have been identified that can make accurate lifetime prediction at service conditions challenging. This can be due to differences in degradation mechanisms between rapid and extended aging or to the presence of induction periods during which early aging is undetectable using common metrics of polymer insulation characterization such as tensile elongation at break. Conceptually, an ideal measure of aging would track clearly and predictably with material changes throughout the lifecycle of the evolving material state from early aging through end of useful life. With such a metric accelerated aging could be performed at much milder conditions, conditions closer to those found in long term service, and end of life calculated from the early data. Oxygen consumption has previously been proposed as a sensitive measure of insulation polymer oxidation that might meet such desirable characteristics. In this work, nuclear cable insulation samples of the two most common types, XLPE and EPR, from two of the most sourced manufacturers, RSCC and The Okonite Company, were subjected to gamma irradiation at dose rates of 100, 200, and 300 Gy/hr for up to 42 days at 26°C. The aged samples were used to evaluate oxygen consumption as a sensitive measure of aging for these materials and these conditions. For comparison and validation, the aged samples were also characterized using the more conventional tests of mass change, density, carbonyl index, and yellowness index. For both materials, oxygen consumption during irradiation was found to track consistently with applied dose—oxygen consumption rate was linear with time. Mass change and carbonyl index were also clearly proportional to exposure dose. Yellowness index, a surface sensitive measure, was observed to increase linearly with dose at low exposure levels before plateauing. Sample density was not observed to change under the conditions explored. Oxygen consumption was found to be a particularly sensitive metric to measure the degradation of polymeric cable insulation exposed to radiation. Oxygen consumption was compared to Arrhenius and time-temperature-superposition methods for activation energy calculation using literature date and found to be a useful and viable alternative for lifetime prediction. The techniques developed in this work are anticipated to be valuable in the estimation of insulation aging rates under mild conditions approaching service conditions. Direction comparison of useful life prediction by oxygen consumption with prediction via Arrhenius methodology for thermal aging and existing methods for radiation and combined thermal/radiation aging would serve to further validate this promising approach and refine our understanding of material-specific aging rates.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Surface-Enhanced Raman Spectroscopy Combined with Multivariate Analysis for Fingerprinting Clinically Similar Fibromyalgia and Long COVID Syndromes

Fibromyalgia (FM) is a chronic central sensitivity syndrome characterized by augmented pain processing at diffuse body sites and presents as a multimorbid clinical condition. Long COVID (LC) is a heterogenous clinical syndrome that affects 10–20% of individuals following COVID-19 infection. FM and LC share similarities with regard to the pain and other clinical symptoms experienced, thereby posing a challenge for accurate diagnosis. This research explores the feasibility of using surface-enhanced Raman spectroscopy (SERS) combined with soft independent modelling of class analogies (SIMCAs) to develop classification models differentiating LC and FM. Venous blood samples were collected using two supports, dried bloodspot cards (DBS, n = 48 FM and n = 46 LC) and volumetric absorptive micro-sampling tips (VAMS, n = 39 FM and n = 39 LC). A semi-permeable membrane (10 kDa) was used to extract low molecular fraction (LMF) from the blood samples, and Raman spectra were acquired using SERS with gold nanoparticles (AuNPs). Soft independent modelling of class analogy (SIMCA) models developed with spectral data of blood samples collected in VAMS tips showed superior performance with a validation performance of 100% accuracy, sensitivity, and specificity, achieving an excellent classification accuracy of 0.86 area under the curve (AUC). Amide groups, aromatic and acidic amino acids were responsible for the discrimination patterns among FM and LC syndromes, emphasizing the findings from our previous studies. Overall, our results demonstrate the ability of AuNP SERS to identify unique metabolites that can be potentially used as spectral biomarkers to differentiate FM and LC.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

The Solar Energetic Particle Event of 2010 August 14: Connectivity with the Solar Source Inferred from Multiple Spacecraft Observations and Modeling

We analyze one of the first solar energetic particle (SEP) events of solar cycle 24 observed at widely separated spacecraft in order to assess the reliability of models currently used to determine the connectivity between the sources of SEPs at the Sun and spacecraft in the inner heliosphere. This SEP event was observed on 2010 August 14 by near-Earth spacecraft, STEREO-A (∼80° west of Earth) and STEREO-B (∼72° east of Earth). In contrast to near-Earth spacecraft, the footpoints of the nominal magnetic field lines connecting STEREO-A and STEREO-B with the Sun were separated from the region where the parent fast halo coronal mass ejection (CME) originated by ∼88° and ∼47° in longitude, respectively. We discuss the properties of the phenomena associated with this solar eruption. Extreme ultraviolet and white-light images are used to specify the extent of the associated CME-driven coronal shock. We then assess whether the SEPs observed at the three heliospheric locations were accelerated by this shock or whether transport mechanisms in the corona and/or interplanetary space provide an alternative explanation for the arrival of particles at the poorly connected spacecraft. A possible scenario consistent with the observations indicates that the observation of SEPs at STEREO-B and near Earth resulted from particle injection by the CME shock onto the field lines connecting to these spacecraft, whereas SEPs reached STEREO-A mostly via cross-field diffusive transport processes. The successes, limitations, and uncertainties of the methods used to resolve the connection between the acceleration sites of SEPs and the spacecraft are evaluated.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Process for forming a chromium diffusion portion and articles made therefrom

In one embodiment, a method for forming an article with a diffusion portion comprises: forming a slurry comprising chromium and silicon, applying the slurry to the article, and heating the article to a sufficient temperature and for a sufficient period of time to diffuse chromium and silicon into the article and form a diffusion portion comprising silicon and a microstructure comprising .alpha.-chromium. In one embodiment, a gas turbine component comprises: a superalloy and a diffusion portion having a depth of less than or equal to 60 .mu.m measured from the superalloy surface into the gas turbine component. The diffusion portion has a diffusion surface having a microstructure comprising greater than or equal to 40% by volume .alpha.-chromium.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

A Phase-Field Model for the U-Pu-Zr System

Modeling nuclear materials is a multi-scale, multi-physics endeavor. Researchers are currently investigating how bulk material properties are affected by the evolution of microscopic material structures, i.e. microstructures. Development of tools that can mechanistically predict the effects of processes like diffusion and grain growth on properties like thermal conductivity will transform nuclear material design, manufacturing, and use. Intermediate-scale, i.e. mesoscale, modeling is among the most promising tools available for this task. Expedited development of mesoscale models, however, will require structured collaboration between modelers and experimentalists. Coupling these fields promises to improve both model accuracy and experiment design. With these ideas in mind, a mesoscale model of the U-Pu-Zr system is being developed. Its development will accompany a series of experiments involving irradiation of metallic fuel samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Computer simulation of grain boundary self-diffusion in aluminum

In the work study the process of self-diffusion in symmetric tilt grain boundaries (GB) with the axes misorientation [100], [110] and [111]. The research was carried out by the methods of computer simulation The objects of the research are the three GB of common and special type for each axis misorientation. The angles of misorientation of the common GB is amounted to 10°, 30° and 50°. The simulation was performed by the method of molecular dynamics in the temperature range from 600 to 1000 K, with an interval of 50 K. For research on the direction jumps atoms were built tracks the movement of atoms in the process of self-diffusion. The calculations have shown, that for all of GB is characterized by pronounced anisotropy of the jumps at low temperatures (< 700K). At temperatures near to the melting point directions of the jumps are isotropic only for three GB (Θ=30°[100], Θ=50=[100] and Σ5(013)[100]). For other GB such as [100] and [110] remains priority direction of diffusion along the nuclei GB dislocations. Arrenius curves have from one to three linear plots with different tilt. Change the tilt of Arrenius dependences testifies to the change in the mechanism of self-diffusion. The parameters of grainboundary self-diffusion were determined The activation energy of grainboundary diffusion in 4–5 times lower than the energy of activation of a volume self-diffusion of aluminum (about 200 KJ/mol). The minimum value of activation energy has GB 10° with the axis misorientation [100] (10,15 KJ/mol), maximum (104.12 Kj/mol) - a special GB Σ11(113)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Nonlocal Convection-Diffusion Problems on Bounded Domains and Finite-Range Jump Processes

In this paper, a nonlocal convection-diffusion model is introduced for the master equation of Markov jump processes in bounded domains. With minimal assumptions on the model parameters, the nonlocal steady and unsteady state master equations are shown to be well-posed in a weak sense. Finally, then the nonlocal operator is shown to be the generator of finite-range nonsymmetric jump processes and, when certain conditions on the model parameters hold, the generators of finite and infinite activity Lévy and Lévy-type jump processes are shown to be special instances of the nonlocal operator.

97 MATHEMATICS AND COMPUTING↗