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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Magnetic anisotropy induced by crystal distortion in Ge{sub 1−x}Mn{sub x}Te/PbTe//KCl (001) ferromagnetic semiconductor layers

Ferromagnetic resonance (FMR) study of magnetic anisotropy is presented for thin layers of IV-VI diluted magnetic semiconductor Ge{sub 1−x}Mn{sub x}Te with x = 0.14 grown by molecular beam epitaxy on KCl (001) substrate with a thin PbTe buffer. Analysis of the angular dependence of the FMR resonant field reveals that an easy magnetization axis is located near to the normal to the layer plane and is controlled by two crystal distortions present in these rhombohedral Ge{sub 1−x}Mn{sub x}Te layers: the ferroelectric distortion with the relative shift of cation and anion sub-lattices along the [111] crystal direction and the biaxial in-plane, compressive strain due to thermal mismatch.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Analysis of buffer-IPyC separation in TRISO fuel particles

During High Temperature Gas-cooled Reactor (HTGR) operation, and due to the neutron irradiation in the reactor core, damage of the nuclear fuel coating layers occurs. The mechanism of damage formation in the TRISO fuel is explored by the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program, in which the debonding process between coating layers was also investigated. The purpose of this paper is to report simulation results for two models. Firstly, the debonding restricted model, where no gap formation between buffer and IPyC layers is permitted. Secondly, a debonding enabled model, where the gap between those layers is created. The simulations were performed with the Bison code. The inputs of the simulated models are based on data from the AGR-1 experiment. Further, the research included simulations on spherical and aspherical fuel types. The simulations match results obtained by the AGR-1 experiment, which as such shows that the Bison code is a good computational method for simulating the behavior of the gap between buffer and IPyC layers in TRISO fuel. Based on the irradiation experiments, and the Bison simulations, it was concluded that the most common scenario is a gap formation along the buffer-IPyC interface, while the least possible scenario is the situation where there is no gap formation at the buffer-IPyC junction. The computational results confirmed that the sphericity of the fuel influences the thickness of the gap that occurs at the buffer-IPyC junction, in a way that with increasing aspect ratio the gap thickness increases. In addition, the fuel sphericity does not influence the Weibull failure probability. The results obtained for spherical and aspherical fuel are nearly identical.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

The effectiveness of TRIS and ammonium buffers in glass dissolution studies: a comparative analysis

Abstract Selecting appropriate buffers is crucial for evaluating the chemical durability of glass under controlled conditions such as in the EPA 1313 test designed to measure elemental release as a function of pH. The efficacy of two alkali-metal free buffers, TRIS (NH 2 C(CH 2 OH) 3 ) and ammonium chloride—ammonia (NH 3 /NH 4 Cl), was investigated during EPA 1313 testing of a simulated Hanford low-activity waste borosilicate glass in the alkaline regime (pH 8.5–10.5) at varying temperatures (RT, 40 °C, and 60 °C). While both buffers maintained the desired pH at room temperature, and up to 40 °C, the effectiveness of TRIS decreased at elevated temperatures, particularly at pH 10.5. Although 11 B NMR showed evidence of TRIS-B complexation, its effect on the rate of elemental release was found to be negligible under the test conditions. With ammonium buffer, the release of alkali cations was slightly elevated when compared to the same conditions with TRIS at early time points.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Buffer gas cooling and mixture analysis

An apparatus for spectroscopy of a gas mixture is described. Such an apparatus includes a gas mixing system configured to mix a hot analyte gas that includes at least one analyte species in a gas phase into a cold buffer gas, thereby forming a supersaturated mixture to be provided for spectroscopic analysis.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Degradation of Mg-doped zinc oxide buffer layers in thin film CdTe solar cells

Cadmium Sulphide is the conventional n-type buffer layer used in thin film Cadmium Telluride solar cells. It is well known that Cadmium Sulphide causes optical losses and sulphur diffuses into the absorber during high temperature activation. Sputter-deposited Mg-doped ZnO (MZO) has been shown to be an attractive buffer layer for Cadmium Telluride solar cells due to its transparency and tuneable band gap. It is also stable to high temperature processing and avoids diffusion of elements into the cadmium telluride absorber during the cadmium chloride activation treatment. However, degradation is observed in solar cells incorporating MZO buffer layers. Analysis of the MZO film surface potential has revealed significant fluctuations in the thin film work function once the layer is exposed to the atmosphere following deposition. These fluctuations are attributed to the high reactivity to water vapour of the MgO contained in the MZO films. This has been analysed using X-ray Photoelectron Spectroscopy to determine corresponding changes in the surface chemistry. The Zinc Oxide component is relatively stable, but the analysis shows that MgO forms a Mg(OH) 2 layer on the MZO surface which forms a secondary barrier at the MZO/CdTe interface and/or at the interface between MZO and the Fluorine-doped SnO 2 . This affects the Fill Factor and as a consequence it degrades the conversion efficiency.

14 SOLAR ENERGY↗
DOE OSTI2018

Zed Context Driver (ZedCD) v1.0

The software takes the data stream generated using the ZedSDK from a Zed or Zed Mini (fancy camera that mimics human depth perception), and loads selected data streams into a rolling shared memory buffer for use in analysis codes. Essentially, the software streams data into a shared memory buffer to be analyzed only when the analysis software is triggered.

Quiter, BrianJ↗
DOE OSTI2022

A High Temperature Gas Reactor Integrated Energy System Using Energy Storage as a Buffer for Hydrogen Production

Analysis of an integrated energy system producing hydrogen in a high temperature steam electrolysis system via steam provided by a sensible heat thermal energy storage system charged by a high temperature gas reactor. Preliminary results over a continuous discharge cycle and single charging cycle shows minimal reactor impact despite 25% electrical power load change. Hydrogen production is held constant with steam provided by the thermal energy storage system.

08 HYDROGEN↗
DOE OSTI2023

(Mg,Mn,Fe,Co,Ni)O: A rocksalt high-entropy oxide containing divalent Mn and Fe

High-entropy oxides (HEOs) have aroused growing interest due to fundamental questions relating to their structure formation, phase stability, and the interplay between configurational disorder and physical and chemical properties. Introducing Fe(ιι) and Mn(ιι) into a rocksalt HEO is considered challenging, as theoretical analysis suggests that they are unstable in this structure under ambient conditions. Here, we develop a bottom-up method for synthesizing Mn- and Fe-containing rocksalt HEO (FeO-HEO). We present a comprehensive investigation of its crystal structure and the random cation-site occupancy. We show the improved structural robustness of this FeO-HEO and verify the viability of an oxygen sublattice as a buffer layer. Compositional analysis reveals the valence and spin state of the iron species. We further report the antiferromagnetic order of this FeO-HEO below the transition temperature ~218 K and predict the conditions of phase stability of Mn- and Fe-containing HEOs. Our results provide fresh insights into the design and property tailoring of emerging classes of HEOs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Nonclinical evaluation of the potential for mast cell activation by an erythropoietin analog

The erythropoietin analog peginesatide was withdrawn from marketing due to unexpected severe anaphylactic reactions associated with administration of the multi-use formulation. The adverse events occurred rapidly following the first ever administration of the drug with most affected patients becoming symptomatic in less than 30 min. This is most consistent with an anaphylactoid reaction due to direct activation of mast cells. Laboratory evaluation was undertaken using rat peritoneal mast cells as the model system. Initial studies showed that high concentrations of the formulated drug as well as formulated vehicle alone could cause mast cell degranulation as measured by histamine release. The purified active drug was not able to cause histamine release whereas the vehicle filtrate and lab created drug vehicle were equally potent at causing histamine release. Individual formulations of vehicle leaving one component out showed that histamine release was due to phenol. Dose response studies with phenol showed a very sharp dose response curve that was similar in three buffer systems. Cellular analysis by flow cytometry showed that the histamine release was not due to cell death, and that changes in light scatter parameters consistent with degranulation were rapidly observed. Limited testing with primary human mast cells showed a similar dose response of histamine release with exposure to phenol. To provide in vivo confirmation, rats were injected with vehicle formulated with various concentrations of phenol via a jugular vein cannula. Significant release of histamine was detected in blood samples taken 2 min after dosing at the highest concentrations tested. - Highlights: • Peginesatide caused severe anaphylactoid reactions in 0.2% of patients. • Both formulated drug and vehicle cause degranulation of rat mast cells. • Phenol was identified as the vehicle component causing degranulation. • Human mast cells show similar dose response to phenol as rat mast cells. • Histamine release could be caused in vivo in rats by rapid phenol injection.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Kinetic Analysis of Competitive Electrocatalytic Pathways: New Insights into Hydrogen Production with Nickel Electrocatalysts

The hydrogen production electrocatalyst Ni(PPh2NPh2)22+ (1) is capable of traversing multiple electrocatalytic pathways. When using dimethylformamidium, DMF(H)+, the mechanism of formation of H2 catalyzed by 1 changes from an ECEC to an EECC mechanism as the potential approaches the Ni(I/0) couple. Two recent electrochemical methods, current-potential analysis and foot-of-the-wave analysis (FOWA), were performed on 1 to measure the detailed chemical kinetics of the competing ECEC and EECC pathways. A sensitivity analysis was performed on the electrochemical methods using digital simulations to gain a better understanding of their strengths and limitations. Notably, chemical rate constants were significantly underestimated when not accounting for electron transfer kinetics, even when electron transfer was fast enough to afford a reversible non-catalytic wave. The EECC pathway of 1 was found to be faster than the ECEC pathway under all conditions studied. Using buffered DMF: DMF(H)+ mixtures led to an increase in the catalytic rate constant (kobs) of the EECC pathway, but kobs for the ECEC pathway did not change when using buffered acid. Further kinetic analysis of the ECEC path revealed that added base increases the rate of isomerization of the exo-protonated Ni(0) isomers to the catalytically active endo-isomers, but decreases the net rate of protonation of Ni(I). FOWA on 1 did not provide accurate rate constants due to incomplete reduction of the exo-protonated Ni(I) intermediate at the foot of the wave, but FOWA could be used to estimate the reduction potential of this previously undetected intermediate. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

electrocatalysis↗
DOE OSTI2017

Performance characterization of scientific workflows for the optimal use of Burst Buffers

Scientific discoveries are significantly rely on the analysis of large volumes of data from observations and simulations of complex phenomena. Scientists compose the complex analyses as workflows and execute them on large-scale HPC systems. The workflow structures are in contrast with monolithic single simulations that have often been the primary use case on HPC systems. At the same time, new storage paradigms such as Burst Buffers are becoming available on HPC platforms. In this paper, we analyze the performance characteristics of a Burst Buffer and two representative scientific workflows with the aim of optimizing the usage of a Burst Buffer, extending our previous analyses (Daley et al., 2016). Our key contributions are (a) developing a performance analysis methodology pertinent to Burst Buffers, (b) improving the use of a Burst Buffer in workflows with bandwidth-sensitive and metadata-sensitive I/O workloads, (c) highlighting the key data management challenges when incorporating a Burst Buffer in the studied scientific workflows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Biositing Webtool, v1

The webtool displays the following types of data: Wastewater treatment plants (WWTP) with anaerobic digestion Facilities with anaerobic digestion onsite other than WWTP Combustion plants. Manure locations. Manure (non points) Municipal solid waste locations Crop locations Processor residue (non points) District energy systems Mixed use developments (non points) Process heating and cooling locations Basic Usage Users can interact with the map in the following ways: Select the year of the analysis from a drop-down menu. Set the background layer as biomass availability or thermal consumption density from a drop-down menu. Select whether the facility of interest is an Anaerobic Digestion or a Therochemical facility from a drop-down menu. This filters the biomass data by moisture and only shows the relevant portions based on the facility selection. Select from a drop-down menu whether the biomass amounts will be shown as gross amounts or technical amounts. Set the radius for the search buffer in which the analysis will be performed. Click on any point data on the map to get more information. Click on the map, to given the signal of the query point location, from where the algorithmic process is going to initiate. This will show the available biomass locations and amounts that fall within the predefined buffer zone. Download the data in a csv format for the entire county or the selected biomass that is inside the predefined buffer. Report whether there are errors in the data to us and we will work to the best of our abilities to confirm and fix any issues. The outputs of the algorithmic process are going to appear on the screen after the computation is done. The outputs consist of the locations of all available biomass that are within the buffer zone from the clicked location. By clicking on any point the user can get more information on the nature and amounts of the biomass.

Scown, Corinne↗
DOE OSTI2015

Impact of residual carbon impurities and gallium vacancies on trapping effects in AlGaN/GaN metal insulator semiconductor high electron mobility transistors

Effects of residual C impurities and Ga vacancies on the dynamic instabilities of AlN/AlGaN/GaN metal insulator semiconductor high electron mobility transistors are investigated. Secondary ion mass spectroscopy, positron annihilation spectroscopy, and steady state and time-resolved photoluminescence (PL) measurements have been performed in conjunction with electrical characterization and current transient analyses. The correlation between yellow luminescence (YL), C- and Ga vacancy concentrations is investigated. Time-resolved PL indicating the C{sub N} O{sub N} complex as the main source of the YL, while Ga vacancies or related complexes with C seem not to play a major role. The device dynamic performance is found to be significantly dependent on the C concentration close to the channel of the transistor. Additionally, the magnitude of the YL is found to be in agreement with the threshold voltage shift and with the on-resistance degradation. Trap analysis of the GaN buffer shows an apparent activation energy of ∼0.8 eV for all samples, pointing to a common dominating trapping process and that the growth parameters affect solely the density of trap centres. It is inferred that the trapping process is likely to be directly related to C based defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Chemical oxygen demand (COD) removal from bio-treated coking wastewater by hydroxyl radicals produced from a reduced clay mineral

Removal of chemical oxygen demand (COD) from wastewater has been of considerable interest for several decades, but detailed mechanisms are poorly known. Here we present an environmental friendly method for removing COD from coking wastewater by using chemically reduced nontronite (rNAu-2). Hydroxyl radicals (·OH) produced from oxidation of structural Fe(II) in rNAu-2 in phosphate buffer at pH 6.5, oxidized various compounds in wastewater and thus significantly decreased COD (from 199.10 ± 0.90 to 80.4 ± 1.97 mg/L) within 120 h. The amount of COD removal was positively correlated with the amount of ·OH production, with removal efficiency depending on pH and buffer type. Mass spectrometric analysis of dissolved organic matter (DOM) suggested an oxidative pathway for COD removal. Excitation-emission matrix (EEM) fluorescence spectroscopy showed that aromatic protein-like compounds accounted for a large fraction of DOM in initial wastewater, but after rNAu-2 treatment, their proportion decreased. A sequential treatment of wastewater by rNAu-2 and a common wastewater bacterium Alcaligenes faecalis demonstrated that different orders of chemical and biological treatments affected COD removal efficiency, likely because chemical and microbial treatments targeted different compounds in coking wastewater.

Zhou, Ziqi↗
DOE OSTI2026

A multigigabit link layer protocol for single picosecond latency determinism using AMD ultrascale+ GTH and GTY transreceivers

recision timing distribution systems require determin istic and repeatable high speed serial data link latency. The EIC Timing Data Link will employ a specialized link layer protocol for deterministic multigigabit communication us ing AMD Ultrascale+ GTH and GTY transceivers. Link la tency must also be measurable to accurately compensate in real time for latency variations of the physical medium. The point-to-point link is full duplex and fully synchronous with a latency control algorithm to align the internal clocks of each system with picosecond resolution. Deterministic clock domain crossing between systems is ensured using static timing analysis of the elastic buffer control signals.

43 PARTICLE ACCELERATORS↗