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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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54 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Evidence for pseudo–Jahn-Teller distortions in the charge density wave phase of 1$\textit{T}-\text{TiSe}_2$

Here, the charge density wave (CDW) instability in 1$\textit{T}-\text{TiSe}_2$ is revisited to investigate its electronic and structural origins using angle resolved photoemission spectroscopy (ARPES), neutron diffraction, and density functional theory (DFT) calculations. The evidence for Jahn-Teller (JT)-like distortions in the CDW state is provided from the local structure analysis that shows splitting of the Ti-Se bonds into short and long. The magnitude of the split is inconsistent with the commonly accepted Di Salvo model for the structural distortions in the CDW phase. From the APRES data, it is deduced that a nontrivial temperature-dependent energy shift of the Se $4\textit{p}$ valence bands occurs, but is absent for the Ti $3\textit{d}$ conduction bands. Collectively, these observations suggest that a JT-like mechanism is most likely central to the CDW instability in 1$\textit{T}-\text{TiSe}_2$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Evidence for autotrophic growth of purple sulfur bacteria using pyrite as electron and sulfur source

ABSTRACT Purple sulfur bacteria (PSB) are capable of anoxygenic photosynthesis via oxidizing reduced sulfur compounds and are considered key drivers of the sulfur cycle in a range of anoxic environments. In this study, we show that Allochromatium vinosum (a PSB species) is capable of autotrophic growth using pyrite as the electron and sulfur source. Comparative growth profile, substrate characterization, and transcriptomic sequencing data provided valuable insight into the molecular mechanisms underlying the bacterial utilization of pyrite and autotrophic growth. Specifically, the pyrite-supported cell cultures (“py”’) demonstrated robust but much slower growth rates and distinct patterns from their sodium sulfide-amended positive controls. Up to ~200-fold upregulation of genes encoding various c - and b -type cytochromes was observed in “py,” pointing to the high relevance of these molecules in scavenging and relaying electrons from pyrite to cytoplasmic metabolisms. Conversely, extensive downregulation of genes related to LH and RC complex components indicates that the electron source may have direct control over the bacterial cells’ photosynthetic activity. In terms of sulfur metabolism, genes encoding periplasmic or membrane-bound proteins (e.g., FccAB and SoxYZ) were largely upregulated, whereas those encoding cytoplasmic proteins (e.g., Dsr and Apr groups) are extensively suppressed. Other notable differentially expressed genes are related to flagella/fimbriae/pilin(+), metal efflux(+), ferrienterochelin(−), and [NiFe] hydrogenases(+). Characterization of the biologically reacted pyrite indicates the presence of polymeric sulfur. These results have, for the first time, put the interplay of PSB and transition metal sulfide chemistry under the spotlight, with the potential to advance multiple fields, including metal and sulfur biogeochemistry, bacterial extracellular electron transfer, and artificial photosynthesis. IMPORTANCE Microbial utilization of solid-phase substrates constitutes a critical area of focus in environmental microbiology, offering valuable insights into microbial metabolic processes and adaptability. Recent advancements in this field have profoundly deepened our knowledge of microbial physiology pertinent to these scenarios and spurred innovations in biosynthesis and energy production. Furthermore, research into interactions between microbes and solid-phase substrates has directly linked microbial activities to the surrounding mineralogical environments, thereby enhancing our understanding of the relevant biogeochemical cycles. Our study represents a significant step forward in this field by demonstrating, for the first time, the autotrophic growth of purple sulfur bacteria using insoluble pyrite (FeS2) as both the electron and sulfur source. The presented comparative growth profiles, substrate characterizations, and transcriptomic sequencing data shed light on the relationships between electron donor types, photosynthetic reaction center activities, and potential extracellular electron transfer in these organisms capable of anoxygenic photosynthesis. Furthermore, the findings of our study may provide new insights into early-Earth biogeochemical evolutions, offering valuable constraints for understanding the environmental conditions and microbial processes that shaped our planet’s history.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

AmeriFlux FLUXNET-1F CA-Obs Saskatchewan - Western Boreal, Mature Black Spruce

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site CA-Obs Saskatchewan - Western Boreal, Mature Black Spruce. This is the FLUXNET version of the carbon flux data for the site CA-Obs Saskatchewan - Western Boreal, Mature Black Spruce produced by applying the standard ONEFlux (1F) software. Site Description - 53.98717° N, 105.11779° W, elavation of 628.94 m, BOREAS 1994, 1996, BERMS climate measurements began Dec. 1996 and flux measurements in Apr. 1999

Black, T. Andrew↗
DOE OSTI2020

Analysis of Respirator Cartridge Performance Testing on Hanford Tank A-101

Washington River Protection Solutions (WRPS) conducted tests on two types of chemical cartridges for use in air purifying respirators (APR) to determine the period of time that the cartridges would provide adequate performance1 to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPCs) from vapors emanating from the headspace of tank A-101 on the Hanford Site. The Occupational Safety and Health Administration (OSHA) identifies cartridge testing as a valid approach for establishing a cartridge change schedules.[3] Testing is commonly applied in situations where mixtures of COPCs exist, and where other approaches, such as manufacturer recommendations and modeling, are less reliable. The tests were designed and conducted to ensure measurement and/or control of the key variables OSHA identified as important to estimate cartridge service life, including temperature, humidity, COPC concentration, breathing rate, and cartridge adsorption capacity. Testing was conducted over a period from July 22-24, 2016, using headspace vapors from Hanford tank A-101 under static conditions2 fed to a respirator cartridge test stand developed by WRPS in collaboration with HiLine Engineering (Richland, Washington). Multipurpose respirator cartridges, SCOTT 7422-SD1 and 7422-SC1 (SCOTT Safety, Monroe, North Carolina) were assessed on separate days with A-101 headspace vapors. Sample media (sorbent tubes) were used to collect samples of the vapor stream entering and exiting the respirator cartridge, and were subsequently analyzed for COPC concentrations. Pacific Northwest National Laboratory was tasked with conducting an independent analysis of the analytical results and making recommendations based on the results for respiratory cartridge performance and service life. Key conclusions from the assessment of the 59 COPCs in this study are described below: • Based on d measured cartridge inlet vapor concentrations from tank A-101 headspace, both ammonia and N-Nitrosodimethylamine (NDMA) exceeded their Occupational Exposure Limits (OEL).3 These measurements were generally consistent with maximum A-101 headspace measurements previously obtained for these two compounds. • Ammonia had respirator cartridge outlet concentrations that exceeded 10% of the OEL for both cartridges tested, indicating breakthrough for each. For the SCOTT 7422-SD1 cartridge, ammonia appeared to breakthrough above 10% of its OEL after 2 hours. For the SCOTT 7422-SC1 cartridge, ammonia breakthrough appeared to occur after 8 hours. 1 “Adequate performance” refers to the breakthrough criteria used in this analysis—that is, sustained cartridge outlet concentrations above 10% of the OEL. For some COPCs, an alternate threshold has been applied when necessary due to higher detection limit (DL)/reporting limit (RL) values for specific compounds. Ultimately, Industrial Hygiene professionals will use these results along with specific hazard assessments to determine service life and cartridge use that provides the necessary performance. 2 These tests were conducted under static conditions absent waste-disturbing activities in the subject tank or tank farm. 3 Occupational Exposure Limits accepted for Hanford Tank Farm use are based on OELs established by a U.S. governmental agency or national professional organization (e.g., OSHA, National Institute for Occupational Safety and Health, American Conference of Governmental Industrial Hygienists), or if no U.S. OEL exists, standard toxicological practices are applied to develop OELs using non-U.S. exposure limits, other established OELs for chemical surrogates when available, or other standard procedures. The OEL for NDMA was established in 2005 based on the MAK (Maximale Arbeitsplatzkonzentration) Commission standard adopted in Europe. iv • Despite respirator inlet measurements for NDMA that were in excess of its OEL, all corresponding outlet measurements, from both respirator cartridges, were below analytical DL 1 for the

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Simulator Data Analysis to Inform Digitalized Environment Impacts on Human Reliability

The U.S. Nuclear Regulatory Commission (NRC) has developed a human reliability analysis (HRA) method, termed the Integrated Human Event Analysis System for Event and Condition Assessment (IDHEAS-ECA), in order to estimate human error probabilities (HEPs) in risk-informed regulatory applications. To update the quantification part of IDHEAS-ECA, the NRC required human performance and error data from fully digitalized main control rooms (MCRs); therefore, it requested that Idaho National Laboratory (INL) revisit previous data collection studies and investigate how the following three factors impact human reliability: self-checking, peer-checking, and automation. The HRA data collection studies revisited were the Human Reliability Data Extraction (HuREX) project, developed by the Korea Atomic Energy Research Institute (KAERI), and the Simplified Human Error Experimental Program (SHEEP), developed by INL. HuREX is a representative HRA data collection study that collects human reliability data from full-scope simulators staffed by licensed operators. SHEEP, on the other hand, has been proposed to complement such full-scope studies by collecting data via simplified simulators staffed by non-licensed student operators. In the HuREX study, KAERI collected HRA data from fully digitalized MCRs for the Advanced Power Reactor (APR)–1400. The SHEEP data were obtained from simplified simulators that partially mimicked the features of digitalized MCRs. The present report mainly discusses how the impacts of the aforementioned three factors on human errors were derived from these two data collection studies.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Technology Case Study: Economic, Sustainability, and Deployment Considerations for Sustainable Aviation Fuels Produced via Lignocellulosic Sugar Catalysis

This report presents a technology case study reflecting one exemplary representative pathway for the conversion of lignocellulosic sugars to sustainable aviation fuels (SAF) via aqueous phase reforming (APR) catalysis, considered within a broader integrated biorefinery framework based on biochemical processing operations. While far from the only option for converting sugars to SAF, this pathway was selected as a case study here based on its relatively high technology maturity and simplistic processing approach (avoiding complex separations or other equipment scalability challenges), coupled with the potential for high fuel yields and favorable costs/carbon intensities with opportunities for further near-term optimization. The report considers key process integration and engineering design considerations for a modeled hypothetical, nth-plant commercial biorefinery, reflecting a number of processing options and parameters envisioned to be achievable as future goals. Resultant outputs from Aspen Plus process simulations are evaluated through techno-economic and life cycle analyses (TEA and LCA), including implications for marginal cost of CO2 abatement and inclusion of currently-applicable policy incentives. Moving beyond base case configurations, a number of alternative scenarios are also evaluated for their ability to further improve economics, greenhouse gas (GHG) emissions, and marginal cost of abatement, highlighting a path to achieve deep decarbonization goals of more than 70% GHG reduction for SAF (with the potential to reach net-negative carbon intensities in some cases) under reasonable fuel production costs. The report also highlights future opportunities and gaps for further research on this technology pathway.

09 BIOMASS FUELS↗
DOE OSTI2022

Energy Efficient Mobility Systems 2021 Annual Progress Report

DOE conducts research to understand how the changing mobility landscape will affect transportation energy consumption and identifies opportunities to create more efficient, affordable, reliable, accessible, equitable, and secure transportation options that enhance mobility for individuals and businesses. Within EERE, the EEMS Program is responsible for this research portfolio. This APR describes work that the EEMS Program conducted during FY 2021 in support of the EEMS Program goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Energy Efficient Mobility Systems (2022 Annual Progress Report)

DOE conducts research to understand how the changing mobility landscape will affect transportation energy consumption and identifies opportunities to create more efficient, affordable, reliable, accessible, equitable, and secure transportation options that enhance mobility for individuals and businesses. Within EERE, the EEMS Program is responsible for this research portfolio. This APR describes work that the EEMS Program conducted during FY 2022 in support of the EEMS Program goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Energy Efficient Mobility Systems (2023 Annual Progress Report)

This document summarizes the progress of VTO Energy Efficient Mobility Systems projects supported during the fiscal year 2023. DOE conducts research to understand how the changing mobility landscape will affect transportation energy consumption and identifies opportunities to create more efficient, affordable, reliable, accessible, equitable, and secure transportation options that enhance mobility for individuals and businesses. Within EERE, the EEMS Program is responsible for this research portfolio. This APR describes work that the EEMS Program conducted during FY 2023 in support of the EEMS Program goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Quantitative Risk Analysis of High Safety Significant Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants using IRADIC Technology

This report documents the activities performed by Idaho National Laboratory (INL) during fiscal year (FY) 2021 for the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, digital instrumentation and control (DI&C) Risk Assessment project. In FY-2019, the RISA Pathway initiated a project to develop a risk assessment strategy for delivering a strong technical basis to support effective, licensable, and secure DI&C technologies for digital upgrades/designs. An integrated risk assessment technology for the DI&C systems (IRADIC technology) was proposed for this strategy, which aims to (1) provide a best-estimate risk-informed capability to quantitatively and accurately estimate the safety margin obtained from plant modernization, especially for the High Safety Significant Safety-related (HSSSR) DI&C systems, (2) develop an advanced risk assessment technology to support transition from analog to DI&C technologies for nuclear industry, (3) assure the long-term safety and reliability of vital HSSSR DI&C systems, (4) reduce uncertainty in costs and support integration of DI&C systems in the plant. To achieve these technical goals and deal with the expensive licensing justifications from regulatory insights, the IRADIC technology is instructive for nuclear vendors and utilities to effectively lower the costs associated with digital compliance and speed industry advances by: (1) defining an integrated risk-informed analysis process for DI&C upgrade, including hazard analysis, reliability analysis, and consequence analysis, (2) applying systematic and risk-informed tools to address common cause failures (CCFs) and quantify responding failure probabilities for DI&C technologies, particularly software CCFs, (3) evaluating the impact of digital failures at the individual level, system level, and plant level, (4) providing insights and suggestions on designs to manage the risks; thus, to support the development, licensing, and deployment of advanced DI&C technologies on nuclear power plant (NPPs). In this report, an approach for performing software CCF analysis, given limited data, is developed and demonstrated using a case study of a highly redundant digital reactor trip system. Consequence analysis is also performed based on different accident scenarios. Results indicate that plant modernization including the improvement of HSSSR DI&C systems will make great benefits to plant safety by providing more safety margins to accident management. In addition, a novel approach is proposed in this report for the quantification of software hazards when sufficient operational and testing data available. The method incorporates software development quality as well as strong analysis techniques to identify and link software defects to potential failure modes. The approach includes both semantic and test-based analysis to detect failures that can exist in different stages of the software development life cycle. This method is applied to an advanced human system interface relevant to reactor trip safety developed from the APR 1400 design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

01-06 DOME Construction Project

Construction Subcontract award to ESTECH - Aug 23 Partial Notice to Proceed for ESTECH mobilization - Sept 23 Final NTP for full construction activities - Oct 23. Quality Inspection Support awarded to ATLAS - Feb 24 Request for Proposal to award a Commissioning Agent subcontract issued - Apr 24 Construction activities projected completion - Jun 25

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Undercooling minimization in ultrasound coupled DTA measurements of molten salts

Molten salts are ionic liquids that are used for the electrolytic pyroprocessing of metals and as heat transfer fluids in very high temperature processes. Recently, halide-based molten salt reactors (MSR) have gained momentum for high density and environmentally responsible electricity generation. The function of these reactors and their fuel cycle depend on a knowledge of the halide salt’s thermodynamic properties [1]. Therefore, high accuracy phase equilibria of MSR relevant base halide and actinide containing salts are needed. Modern thermal analysis of the phase transitions of halide salts is usually done during heating at relatively high scan rates with commercial devices. Normally such measurements are adequate for pure or pseudo-binary salts. However, as the number of components in the mixture increases, accurately resolving the liquidus becomes increasingly difficult. Reversing the scanning mode greatly increases the sensitivity of phase transition measurements but can decrease accuracy due to undercooling [2] — a common occurrence in molten halide systems [3]. This work presents the development of a differential thermal analysis (DTA) cell intended for use in radiological gloveboxes. Non-contact ultrasonic agitation of the halide salt is implemented to limit kinetic limitations on crystallization during cooling to minimize undercooling [4]. Measurements on halide salts are also presented to elucidate the effect of non-contact mixing on undercooling. Reference [1] S. Boyd and C. Taylor, “3 - Chemical fundamentals and applications of molten salts,” in Molten Salt Reactors and Thorium Energy, T. J. Dolan, Ed., Woodhead Publishing, 2017, pp. 29–91. doi: 10.1016/B978-0-08-101126-3.00003-8. [2] K. Nitsch, A. Cihlár, and M. Rodová, “Molten state and supercooling of lead halides,” J. Cryst. Growth, vol. 264, no. 1, pp. 492–498, Mar. 2004, doi: 10.1016/j.jcrysgro.2004.01.011. [3] L. Rycerz, “Practical remarks concerning phase diagrams determination on the basis of differential scanning calorimetry measurements,” J. Therm. Anal. Calorim., vol. 113, no. 1, pp. 231–238, Jul. 2013, doi: 10.1007/s10973-013-3097-0. [4] Md. H. Zahir, S. A. Mohamed, R. Saidur, and F. A. Al-Sulaiman, “Supercooling of phase-change materials and the techniques used to mitigate the phenomenon,” Appl. Energy, vol. 240, pp. 793–817, Apr. 2019, doi: 10.1016/j.apenergy.2019.02.045.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

High Spatial Melt Rate Variability Near the Totten Glacier Grounding Zone Explained by New Bathymetry Inversion

Totten Glacier is a fast-moving East Antarctic outlet with the potential for significant future sea-level contributions. We deployed four autonomous phase-sensitive radars on its ice shelf to monitor ice-ocean interactions near its grounding zone and made active source seismic observations to constrain gravity-derived bathymetry models. We observe an asymmetry in basal melting with mean melt rates along the grounding zone differing by up to 20 m/a. Our new bathymetry model reveals that this melt rate asymmetry coincides with an asymmetry in water column thickness and that the low-melting ice-shelf portion is shielded from the main cavity circulation. A 2-year record yields year-to-year melt rate variability of 7–9 m/a with no seasonal cycle. Our results highlight the key role of bathymetry near grounding lines for accurate modeling of ice-shelf melt, and the importance of sustained multi-year monitoring, especially at ice-shelf cavities where the dominant melt rate drivers vary primarily inter-annually.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Cracking the code of multi-layer films to promote circularity in single-use plastic packaging

Multi-layer film packaging (MLF) revolutionized food preservation by combining diverse material layers to optimize barrier properties, mechanical strength, and shelf-life. These materials are essential for transporting perishables across various climates and allow for access to fresh goods in “food deserts”, but they pose significant recycling challenges due to their structural complexity. This perspective examines key structure-property relationships governing barrier performance and highlights innovations in material design. We explore how machine learning can predict performance metrics and propose recyclable alternatives, integrating data-driven approaches with material science insights. By challenging the status quo of MLF design, we advocate for circularity in food packaging, inspiring innovation at the intersection of sustainability, material science, and artificial intelligence.

36 MATERIALS SCIENCE↗