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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Summary of Information Available and Recommendations for a Doe Complex-Wide Waste Glass Database

The purpose of this document is to summarize the existing repositories of nuclear waste glass property-composition data produced for DOE. A framework is described for consolidation of the data into a single database. Recommended attributes of the consolidated database are provided, including quality assurance, the user interface, and means for updates and maintenance. Future work will utilize the framework described herein to produce the complex-wide database and establish the user interface.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Wide Area 3D Measurement System for Analysis of 3013 Inner Container Closure Weld Region

One of the main focus areas of the 3013 Surveillance Program is a thorough evaluation of the inner container closure weld region (ICCWR) opened for destructive examination (DE). As part of the protocol to investigate the corrosion in the ICCWR, a laser confocal microscope (LCM) is used to perform close visual examination of the surface and to measure corrosion features on the surface. However, in FY20, the introduction of the Wide Area 3D Measurement System (WAMS) was tested as a method for faster inspection of the ICCWR. Optimization of the WAMS parameters for data collection was carried out using a generic tear-drop type sample containing large and fine Stress Corrosion Cracking (SCC) fractures and high resolution images were compared to the image obtained with the LCM. Although the image with the LCM shows higher resolution than the WAMS images, the small features can be still identified in the WAMS images. The advantage of collecting data for the full circumference using the WAMS is that it can take about a week to complete, which represents 1/16 of the time needed with the LCM. Nonetheless, both systems offer capabilities that combined can be utilized to expedite the examination of the ICCWR. The WAMS can be utilized to obtain images for faster screening or identification of corrosion features on the surface while the LCM can be utilized to obtain higher resolution images of those areas identified by the WAMS.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

MOCVD Growth and Characterization of Wide Bandgap ZnGeN 2 Thin Films

ZnGeN 2 is a wide bandgap material having less than 0.1% lattice mismatch with GaN and bandgap within few percent of that of GaN. Based on the first principle calculations, the valence band of ZnGeN 2 is situated ~1.4 eV above that of GaN at the heterointerface. Such a staggered band alignment between two closely lattice matched materials has already been demonstrated promising for novel optoelectronic device designs, for example, high efficiency blue and green light emitting diodes. However, the research on ZnGeN 2 is yet to pass the inceptive period. We report on the growth of single crystalline ZnGeN 2 films using metalorganic chemical vapor deposition and investigation on the crystalline, optical, electrical properties. Diethylzinc (DEZn), germane (GeH 4 ) and ammonia were used as the precursors for Zn, Ge and N, respectively. Films were grown on GaN and sapphire substrates. The Zn/Ge atomic ratio in the films determined from energy dispersive X-ray spectroscopy was found to decrease with increase in growth temperature but to increase with increase in pressure and DEZn/GeH 4 molar flow rate ratio. The X-ray diffraction (XRD) 2θ-ω spectra of the single crystalline ZnGeN 2 films resembled those of orthorhombic (perfectly ordered cations) or distorted wurtzite (disordered cations) polymorphs. High resolution scanning transmission electron microscopy imaging was used to further investigate the crystalline quality and crystalline structure of the films. The single crystalline films on c-sapphire or GaN substrates were found to have planar surface from scanning electron micrographs while those on r-sapphire substrate had stepped surface. No near band edge peak but a broad peak at ~2.05 eV was observed in the photoluminescence (PL) spectra, which was attributed to the transitions involving deep level defects. The PL excitation spectra peaked around 3.4 eV, which is due to the enhanced absorption of photons having energy close to the band gap. The as grown films were found to be n-type with 10 18 – 10 19 cm -3 carrier densities and mobility up to 17 cm 2 /V·s. In the end, the advancement made in this work regarding the growth of ZnGeN 2 thin films is a footstep towards the understanding of the material itself and in turn, towards the implementation of ZnGeN 2 based novel device designs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

University of Central Florida Campus-Wide Deep Dive

EPOC uses the Deep Dive process to discuss and analyze current and planned science use cases and anticipated data output of a particular use case, site, or project to help inform the strategic planning of a campus or regional networking environment. This includes understanding future needs related to network operations, network capacity upgrades, and other technological service investments. A Deep Dive comprehensively surveys major research stakeholders’ plans and processes in order to investigate data management requirements over the next 5–10 years. Deep Dives help ensure that key stakeholders have a common understanding of the issues and the actions that a campus or regional network may need to undertake to offer solutions. The EPOC team leads the effort and relies on collaboration with the hosting site or network, and other affiliated entities that participate in the process. EPOC organizes, convenes, executes, and shares the outcomes of the review with all stakeholders. Between December 2020 and August 2021, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers and staff at University of Central Florida (UCF) for the purpose of a Campus-Wide Deep Dive into research drivers. The goal of this meeting was to help characterize the requirements for five campus research use cases and to enable cyberinfrastructure support staff to better understand the needs of the researchers they support.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

3013 Inner Container Closure Weld Region (ICCWR) Characterization by Wide Area 3D Measurement System (WAMS) Analysis (FY21 Progress Report)

As part of the 3013 Surveillance Program, through-wall penetration from stress corrosion cracking (SCC) of the 3013 inner containers has been identified as the most credible condition for failure withing the 50- years lifetime. Chlorides contained in Pu-bearing material, together with intra-canister humidity levels, metallurgical conditions, and internal stresses have been found to produce corrosion in the Inner Container Closure Weld Region (ICCWR) of the 3013 canister system. A Laser Confocal Microscope (LCM) is used as part of the 3013 Surveillance Program protocol to identify the prevalence of corrosion and corrosionrelated cracking in the ICCWR2. With the LCM, a close visual examination is made of the ICCWR surface along with measurements of corrosion-related features. LCM inspections produce immense amounts of image data that is time intensive to analyze. There is also a 9-year backlog of images, with approximately 49 canisters that must be evaluated. To expedite data analysis and reduce the amount of generated data, a Wide Area 3D Measurement System (WAMS) microscope has been added to the examination protocol. Although WAMS is a lower resolution microscope, small features of interest can be still identified. The advantage of collecting data for the full circumference using the WAMS is that it can take about 1/16 of the time needed with the LCM. Both systems offer capabilities that combined can be utilized to expedite the examination of the ICCWR. The WAMS is an efficient system for screening and identification of corrosion features while the LCM can be utilized to obtain higher resolution images areas identified by the WAMS. This report explains and justifies the data collection methods used with the WAMS. It includes a summary of the data generated by WAMS in FY21. The goals set for data collection in FY21 were met. A total of twenty-two DE’s were imaged, and analysis was carried out on eleven samples. The analyzed samples showed large numbers of potential cracks and pits distributed throughout the surfaces. Lastly, to explain the advantages of the WAMS, its capabilities were compared to those of a simpler microscope. Micrographs of the samples imaged in FY21 and those analyzed are included in the appendices.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Modular Wide-bandgap String Inverters for Low-cost Medium-voltage Transformerless PV Systems

The proposed technology combines advances in wide-bandgap power electronics with breakthroughs in distributed and decentralized control to produce ultra-low-cost medium-voltage transformerless PV inverters that are composed of stackable lightweight blocks. Taken together, the proposed circuit designs and accompanying control strategies will yield integrated control+circuit (C2) blocks, each comprising a converter and local controller, that can be assembled in a modular fashion to obtain distributed conversion interfaces for next-generation commercial and utility-scale PV systems. We will utilize SiC devices to obtain C2 blocks that can individually operate at a voltage and power in excess of 1 kV and 100 kW, respectively, such that ensembles of series-connected blocks perform direct dc to three-phase ac conversion at medium voltages (e.g., 12 kV–35 kV) and at multi-MW power levels.

42 ENGINEERING↗
DOE OSTI2023

Development of Electrolytes for Lithium-Ion Batteries in Wide Temperature Range Applications (Abstract)

The purpose of the proposed project is to improve the performances of Farasis’ commercial high-energy lithium ion batteries in a wide temperature range. PNNL has developed intellectual property about electrolyte additives and electrolyte formulations to greatly improve the low temperature discharge performance and the long-term cycling stability at room temperature and elevated temperatures of lithium ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Simple self-consistent method for excited states in density functional theory to characterize defect-derived behavior in wide-band-gap-based microelectronic materials

This final report summarizes the results of the Laboratory Direct Research and Development (LDRD) Project Number 229740. Wide band gap semiconductors such as gallium nitride (GaN) have features highly desirable for multiple mission electronic applications. Realization of their potential requires atomic-scale understanding of electronic behavior. The principal experimental tools for electronically probing defects in GaN are chemically undifferentiating and lack a practical theoretical counterpart needed to identify and characterize specific defects. This project investigated whether a simple idea for modeling defect excited states and their associated photoluminescence (PL) energies is viable, as a path to accelerate the understanding of defect behavior and gain valuable insights into engineering new electronic materials and devices. The research implemented a non-self-consistent total-energy evaluation of a Koopmans-type estimation of an excited electronic state energy in density functional theory (DFT) calculations, and proceeded to design, implement, and assess a self-consistent method for computing excited states based upon an OCcupation-Constrained-DFT (occ-DFT). The occ-DFT was verified in test calculations of defect excited states and validated against well-characterized PL data for 3d transition metal defects in GaN. The method proved stable and robust in computing excited states and gave accurate predictions compared to experimental PL data. The combined ground state/excited-state capability proved capable of chemically differentiating defect species in GaN. In application to 3d dopants in GaN, we reinterpreted extensive experimental literature, proposed new defects as prospective candidates for use in quantum information applications, and outlined design strategies to create and exploit these potentially useful functional defects in GaN.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Heterogeneous Integration Technologies for High-temperature, High-density, Low-profile Power Modules of Wide Bandgap Devices in Electric Drive Applications (Final Technical Report)

The goal of this project is to develop packaging technologies for making high-temperature, high-density, and low-profile wide-bandgap (WBG) power electronics modules for electric drives. These modules are aimed at enabling the DOE’s University Consortium to reach its 2025 inverter targets of ≥ 100 kW/L and ≤ 2.7 $/kW. The specific objectives are to: design and fabricate SiC half-bridge power modules with double-sided cooling and parasitic inductances < 5 nH, heat flux density > 400 W/cm 2 , and working junction temperature of 200 o C; design, fabricate, and deliver a gate driver with double-sided cooled modules for the construction of a 100 kW/L inverter at Oak Ridge National Lab; and design and prototype intelligent gate drivers with integrated current sensor and a low-profile DC-DC power supply with air-core transformer for testing power modules at 200 o C junction temperature. We followed an iterative technical approach of design, simulation, fabrication, and testing of various versions of modules, current sensors, and power supply. The state-of-the-art silicon carbide devices rated at 1.2 kV and 149 A were packaged by sintered-silver bonding on an aluminum nitride direct-bond-copper substrate for high thermal conductivity, high working temperature, and high joint reliability. Porous silver posts were used to interconnect the device’s source pads to the other direct-bond-copper substrate for low mechanical stresses, ease of manufacturing, and double-sided cooling. A current sensor based on package parasitic inductance was developed to measure switching current. A dynamic feedback scheme was developed to compensate the effect of parasitic resistance and temperature variation. A constant-current class-E dc-dc converter with air-core transformer was developed. Air-core transformer was used due to the unavailability of magnetic core at high temperatures. Gate driver and power supply were integrated with the double-side cooled, high temperature SiC power modules for testing the modules at 200 o C junction temperature. Double-pulse and continuous testing of the integrated technologies validated the design and fabrication of the three component technologies. Throughout the project, we overcame the challenge for design verification caused by low prototyping yield, which then helped train the graduate students, the future workforce, to learn the engineering know-how for low-cost manufacturing of reliable products. Below is a summary of the major accomplishments of this project: development of a prototyping process for fabricating double-side cooled (1200 V, 149 A) SiC phase-leg modules capable of working to 200 o C Tj; simulation and experimental verification of the improvement of thermo-mechanical reliability of the double-side cooled SiC phase-leg module by using rigid encapsulant; design and experimental validation of a current sensor based on package parasitic inductance and a compensation solution for eliminating the effect of parasitic resistance; design and experimental validation of a low-profile power supply with six-output air-core transformer for gate driver; functional demonstration of a SiC phase-leg module integrated with its gate driver, current sensor, and an air-core power supply at 200 o C Tj in a double-pulse switching test setup and Buck converter continuous test setup; successful completion of six PhD and two MS students who are or will work at Apple Inc., Tesla Inc., Wolfspeed Inc., Microchip Inc., Monolithic Power Systems Inc., and LG Magna Inc.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Combining genome-wide association studies and expression quantitative trait nucleotide mapping with molecular and genetic validations to identify transcriptional networks regulating drought tolerance in Populus

Objectives: (i). To deploy a large-scale experimental drought trial for up to 1000 unique genotypes of Populus equipping the sites with controlled irrigation and drought treatments that are fully automated and monitored. FULLY COMPLETED (ii) To test the hypothesis that a suite of traits identified for drought tolerance in P. nigra can be measured in drought and control treatments in the wide germplasm collection of P. trichocarpa. FULLY COMPLETED (iii) To use established and novel GWAS model approaches to identify gene loci linked to drought tolerance traits on interest in P. trichocarpa. FULLY COMPLETED (iv) To undertake comparative analysis of GWAS results for drought tolerance traits in P. nigra and P. trichocarpa. PARTIALLY COMPLETED – remains active (v) Using RNAseq in P. trichocarpa, in droughted and control treatments to identify cis- and trans-regulated eQTN. FULLY COMPLETED (vi) Validate up to 50 cis-QTNs, from network hubs using transient protoplast assays. FULLY COMPLETED (vii) To establish Agrobacterium-based gene editing protocols in Populus. FULLY COMPLETED (viii) To utilize early leads from previous research to investigate at least 6 candidate genes for drought tolerance in Populus. FULLY COMPLETED (ix) To validate up to 20 candidate genes for drought tolerance in P. trichocarpa refined from the long-list tested in the transient assays for cis-acting hub gene targets. PARTIALLY COMPLETED- remains active.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

A Dark Photon Dark Matter Search with a Widely-Tunable SRF Cavity

The SERAPH (SupERconducting Axion and Paraphoton Haloscope) experiment is a family of superconducting haloscopes being developed by the Superconducting Quantum Materials and Systems (SQMS) Center to search for wavelike dark matter. This presentation will focus on preliminary results from our dark photon dark matter search using a widely-tunable SRF cavity operating between 4-7 GHz, nicknamed the “plunger cavity.” I will present the cavity design and characterization, analyze the impact of microphonics on system performance and haloscope sensitivity, and describe our tuning methodology for this Q~10^8 cavity. The presentation will cover our haloscope analysis approach and discuss sensitivity limits achieved within this frequency range. Finally, I will outline lessons learned from this first search, implications for future axion searches, and proposed improvements for subsequent SERAPH experiments.

Cervantes, Raphael [Fermilab]↗
DOE OSTI2025

Autonomous Infrared and Small (Wide) Angle X-Ray Scattering (IR-S(W)AXS) Capability

Thin water films are 2-D, nanoconfined layers that form on solid surfaces exposed to humid atmospheres—environments ubiquitous across catalysis, corrosion science, soil science, and subsurface geochemistry. At relative humidity (RH) values below saturation, these films are Å–nm thick and exhibit properties that differ sharply from bulk water, including disrupted H-bonding and impeded mass transport. Owing to their high surface-to-volume ratio, dissolution of the solid can rapidly drive strong supersaturation with respect to secondary phases. Reactivity in thin water films is highly sensitive to film thickness, and critically, thickness evolves during reaction because the hygroscopicity of the interfacial system changes as ions accumulate or diminish in the film and as reaction products transform. To accurately probe and control these dynamics, a capability is needed that can measure and automatically maintain a constant water-film thickness while simultaneously monitoring solid dissolution, nucleation, and growth. This project developed an autonomous Infrared/Small Angle X-ray Scattering-Wide Angle X-ray Scattering (IR/(W)SAXS) for investigating reactivity in thin water films on solid surfaces exposed to humidified gases. The capability consists of an IR spectrometer, a (W)SAXS instrument, and a mass flow controller system for generating variably humidified gas flows to a custom reaction cell. Progress on each of the major components of the capability are detailed below.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A Dark Photon Dark Matter Search with a Widely-Tunable SRF Cavity

The SERAPH (SupERconducting Axion and Paraphoton Haloscope) experiment is a family of superconducting haloscopes being developed by the Superconducting Quantum Materials and Systems (SQMS) Center to search for wavelike dark matter. This presentation will focus on preliminary results from our dark photon dark matter search using a widely-tunable SRF cavity operating between 4-7 GHz, nicknamed the "plunger cavity." I will present the cavity design and characterization, analyze the impact of microphonics on system performance and haloscope sensitivity, and describe our tuning methodology for this Q~10^8 cavity. The presentation will cover our haloscope analysis approach and discuss sensitivity limits achieved in this frequency range. Finally, I will outline lessons learned from this first search, implications for future axion searches, and proposed improvements for subsequent SERAPH experiments.

Cervantes, Raphael [Fermilab]↗
DOE OSTI2026

Novel Organosulfur-Based Electrolytes for Safe Operation of High Voltage Li-ion Batteries over a Wide Operating Temperature

This project addresses the failure of conventional electrolytes and enables high-voltage operation of lithium-ion batteries (LIBs) by developing a novel organosulfur-based electrolyte system. To achieve this goal, we first designed and synthesized new organosulfur solvents that functionalized with strong electron-withdrawing groups such as fluoroalkyl and cyano substituents. Through regio-specific molecular engineering, supported by theoretical calculations, we lowered the highest occupied molecular orbital (HOMO) energy levels of these molecules to increase their anodic stability for high-voltage operation. We then optimized the formulation of the organosulfur-based electrolyte with additives, co-solvents and salts tailored to the newly synthesized solvent molecules. In parallel, we utilized advanced spectroscopic techniques—including in situ FTIR, EIS, and DEMS—to thoroughly elucidate the mechanisms of interaction between the electrolyte and electrode materials. Finally, we evaluated 2 Ah pouch cells under both normal and extreme conditions. Pouch cells with the newly developed electrolyte system demonstrated >90% capacity retention after 500 cycles under 4.5 V operating voltage, >80% capacity retention after 1000 cycles in coin cell level. In addition, the cells exhibited high safety and reliable operation capability over a wide temperature range from −30 °C to +45 °C.

25 ENERGY STORAGE↗
DOE OSTI2021

A KBase Case Study on Genome-wide Transcriptomics and Plant Primary Metabolism in Sorghum

A better understanding of the genetic and metabolic mechanisms that confer stress resistance and tolerance in plants is key to engineering new crops through advanced breeding technologies. This requires a systems biology approach that builds on a genome-wide understanding of the regulation of gene expression, plant metabolism, physiology and growth. In this study, we examine the response to drought stress in Sorghum, as we leverage the tools for transcriptomics and plant metabolic modeling we have implemented at the U.S. Department of Energy Systems Biology Knowledgebase (KBase). KBase enables researchers worldwide to collaborate and advance research by allowing them to upload private or public data into the KBase Narrative Interface, empowering them to analyze this data using a rich, extensible array of computational and data-analytics tools, and allows them to securely share scientific workflows and conclusions. We demonstrate how to use the current RNA-seq tools in KBase, applicable to both plants and microbes, to assemble and quantify long transcripts and identify differentially expressed genes effectively. More specifically, we demonstrate the utility of the platform by identifying key genes that are differentially expressed during drought-stress in Sorghum bicolor, which is an important sustainable production crop plant. We then show how to use KBase tools to predict the membership of genes in metabolic pathways and examine expression data in the context of metabolic subsystems. We demonstrate the power of the platform by making the data analysis and interpretation available to the biologists in the reproducible, re-usable, point-and-click format of a KBase Narrative thus promoting FAIR (Findable, Accessible, Interoperable and Reusable) guiding principles for scientific data management and stewardship.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

PyZebrascope: An Open-Source Platform for Brain-Wide Neural Activity Imaging in Zebrafish

Understanding how neurons interact across the brain to control animal behaviors is one of the central goals in neuroscience. Recent developments in fluorescent microscopy and genetically-encoded calcium indicators led to the establishment of whole-brain imaging methods in zebrafish, which record neural activity across a brain-wide volume with single-cell resolution. Pioneering studies of whole-brain imaging used custom light-sheet microscopes, and their operation relied on commercially developed and maintained software not available globally. Hence it has been challenging to disseminate and develop the technology in the research community. Here, we present PyZebrascope, an open-source Python platform designed for neural activity imaging in zebrafish using light-sheet microscopy. PyZebrascope has intuitive user interfaces and supports essential features for whole-brain imaging, such as two orthogonal excitation beams and eye damage prevention. Its camera module can handle image data throughput of up to 800 MB/s from camera acquisition to file writing while maintaining stable CPU and memory usage. Its modular architecture allows the inclusion of advanced algorithms for microscope control and image processing. As a proof of concept, we implemented a novel automatic algorithm for maximizing the image resolution in the brain by precisely aligning the excitation beams to the image focal plane. PyZebrascope enables whole-brain neural activity imaging in fish behaving in a virtual reality environment. Thus, PyZebrascope will help disseminate and develop light-sheet microscopy techniques in the neuroscience community and advance our understanding of whole-brain neural dynamics during animal behaviors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Why Is the Range of Timescale So Wide in Glass-Forming Liquid?

The viscosity and the relaxation time of a glass-forming liquid vary over 15 orders of magnitude before the liquid freezes into a glass. The rate of the change with temperature is characterized by liquid fragility. The mechanism of such a spectacular behavior and the origin of fragility have long been discussed, but it remains unresolved because of the difficulty of carrying out experiments and constructing theories that bridge over a wide timescale from atomic (ps) to bulk (minutes). Through the x-ray diffraction measurement and molecular dynamics simulation for metallic liquids we suggest that large changes in viscosity can be caused by relatively small changes in the structural coherence which characterizes the medium-range order. Here the structural coherence does not imply that of atomic-scale structure, but it relates to the coarse-grained density fluctuations represented by the peaks in the pair-distribution function (PDF) beyond the nearest neighbors. The coherence length is related to fragility and increases with decreasing temperature, and it diverges only at a negative temperature. This analysis is compared with several current theories which predict a phase transition near the glass transition temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗