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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Experimental study of the partitioning of some platinum group elements (Pd and Ir) between orthopyroxene and silicate melt

Past experiments and observations on natural samples have largely focused on the roles of olivine and chromite in controlling the behaviour of the platinum-group elements (PGE) during melting and solidification, whereas other phases, such as pyroxene, have gone largely uncharacterized. Here, to address this, experiments have been done to measure the partitioning of Pd (with a subset of results for Ir), between orthopyroxene and silicate melt at 1340 °C, 0.1 MPa and log fO 2 of FMQ - 1 to FMQ + 6 (FMQ = Fayalite-Magnetite-Quartz). The X-ray Absorption Near-Edge Structure (XANES) was measured in a subset of experiment glasses. Glass concentrations of Pd (corrected to unit Pd activity) increase from ~6 to ~650 ug/g over the fO 2 range of experiments. The slope of the solubility-fO 2 relation is consistent with Pd 1+ as the dominant oxidation state, with evidence for Pd 0 and Pd 2+ at the lowest and highest experiment fO 2 , respectively. Consistent with this result, the XANES reveal spectral features similar to Pd 0 and Pd 2+ spectral reference materials (specRM) at the most reduced and oxidized synthesis conditions, respectively. Other lines of evidence require the presence of a third melt species, here interpreted to be Pd 1+ . Values of orthopyroxene/melt partition coefficients for Pd (D Pd Opx/melt ) are 0.0051 (+/-0.006) at log fO 2 < ΔFMQ + 3, increasing with fO 2 to a maximum of 0.013 at ~FMQ + 6. Sodium partition coefficients, expected to be similar to Pd, range from 0.0061 (+/-0.00061) at FMQ + 3, increase to 0.007–0.009 at higher fO 2 , but with no clear systematic trend. A value for D Ir Opx-melt of ~0.6 was measured at ~FMQ + 4, indicating significantly more compatible behaviour for Ir relative to Pd. Partitioning results are interpreted in the context of the Blundy-Wood elastic strain model in which the variation in partitioning is related to ionic radius mismatch to an optimal crystallographic site size. Based on the trend in ionic radius with oxidation state, the estimated ionic radius of Pd 1+ in octahedral coordination is similar to Na 1+ , and comparison to previous orthopyroxene-melt partitioning experiments suggests D Pd1+ opx/melt and DNaopx/melt should be nearly identical, consistent with the results of this study. The ionic radius of VI-fold Pd 2+ is close to the optimal M2 site size, so an increased proportion of this species with fO 2 accounts for the larger values of D Pd opx/melt at the highest fO 2 investigated. The much larger partition coefficient for Ir is consistent with the presence of Ir 2+ , whose estimated ionic radius is close to Fe 2+ and Mg 2+ , as well as predictions for the optimal M1 site size. With the assumption that D Pd opx/melt = D Na opx/melt , combined with a revised value for the Pd content of the primitive mantle, a melting model is presented that better reproduces the Pd concentration of high degree melts from sulfide-free mantle sources.

58 GEOSCIENCES↗
DOE OSTI2026

Understanding Isomeric Effects on Properties of Aviation Fuels via a Group Contribution Method: Preprint

The molecular composition of aviation fuels, including conventional and sustainable aviation fuels (SAFs), significantly influences their performance, safety, and environmental impact. This study examines the effect of isomeric variation for compounds with the same carbon number and chemical family on key fuel properties, focusing on compounds commonly found in conventional jet fuels and SAFs. A group contribution method (GCM) is employed to predict thermophysical and combustion properties, providing an efficient analytical approach to evaluate the contributions of individual compounds to overall fuel mixture behavior. As part of this work, we introduce FuelLib, an open-source Python tool built around the GCM, to calculate individual compound and fuel mixture properties using various mixing rules. Our work evaluates whether the GCM can capture isomeric effects, that are often overlooked in traditional fuel property estimation. This is particularly important for SAFs, which often are composed of a more limited set of compound classes than conventional fuels, making isomeric differences more critical. Two-dimensional gas chromatography (GCxGC) data, which can be obtained from small fuel samples, provides weight percentages of compounds grouped by chemical family and carbon number rather than detailed information about individual compounds. As a result, assumptions must be made when decomposing GCxGC data into functional groups for GCM applications. Using GCxGC data, we show that the FuelLib tool can be used to predict the fuel properties of conventional jet fuels, with validation against experimental data. The provided tool enables researchers to predict fuel properties of candidate fuels and supports the design of new SAFs at both the component and mixture levels. This capability provides a foundation for studying fuel and combustion properties during SAF development, reducing reliance on costly experimental methods and advancing progress toward certification of new SAFs.The molecular composition of aviation fuels, including conventional and sustainable aviation fuels (SAFs), significantly influences their performance, safety, and environmental impact. This study examines the effect of isomeric variation for compounds with the same carbon number and chemical family on key fuel properties, focusing on compounds commonly found in conventional jet fuels and SAFs. A group contribution method (GCM) is employed to predict thermophysical and combustion properties, providing an efficient analytical approach to evaluate the contributions of individual compounds to overall fuel mixture behavior. As part of this work, we introduce FuelLib, an open-source Python tool built around the GCM, to calculate individual compound and fuel mixture properties using various mixing rules. Our work evaluates whether the GCM can capture isomeric effects, that are often overlooked in traditional fuel property estimation. This is particularly important for SAFs, which often are composed of a more limited set of compound classes than conventional fuels, making isomeric differences more critical. Two-dimensional gas chromatography (GCxGC) data, which can be obtained from small fuel samples, provides weight percentages of compounds grouped by chemical family and carbon number rather than detailed information about individual compounds. As a result, assumptions must be made when decomposing GCxGC data into functional groups for GCM applications. Using GCxGC data, we show that the FuelLib tool can be used to predict the fuel properties of conventional jet fuels, with validation against experimental data. The provided tool enables researchers to predict fuel properties of candidate fuels and supports the design of new SAFs at both the component and mixture levels. This capability provides a foundation for studying fuel and combustion properties during SAF development, reducing reliance on costly experimental methods and advancing progress toward certification of new SAFs.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

ASTRO: Facilitating Advancements in Low-Impact Solar Research, Deployment, and Dissemination

The U.S. Department of Energy's (DOE) InSPIRE project evaluates opportunities for cost reductions and assesses the environmental compatibility of solar energy technologies through low environmental impact designs and approaches. To achieve the project's aim, DOE brings together researchers from the National Renewable Energy Laboratory, Argonne National Laboratory, universities, local governments, environmental groups, and solar industry partners to conduct field-based research complemented by foundational analytical studies. The Agriculture and Solar Together: Research Opportunities (ASTRO) advisory group members come from across the United States and represent leading solar industry partners, state agencies, vegetation management companies, and other organizations focused on research, food and agriculture, and the environment. The ASTRO group of engaged advisors is a complementary combination of organizations creating positive feedback loops that spark and solidify new connections, accelerate information dissemination, and magnify the impact of the InSPIRE project and associated low-impact solar research initiatives.

14 SOLAR ENERGY↗
NASA NTRS1998

Modeling Climate-Biosphere Interactions in the Boreal Forest

The overall goal of this BOREAS Program was to develop, test, and apply a model of the carbon balance of boreal forest sites with a significant groundcover component (moss or lichen). The basic question addressed with this model was: What is the sensitivity of the boreal forest carbon balance to weather variability? More specifically: What are the differences in the sensitivities of carbon gains (photosynthesis) and carbon losses (respiration) of the various components of the ecosystem? Are there different seasonalities to their sensitivities (e.g., warmer springs will have one effect, warmer summers a different effect)? What are the effects of different patterns of successive weather years (wet/dry, warm/cool)? What, for example, would be the difference in effects of two "warmer than normal" months-one with each day warmer than normal, and the other with three normal weeks and one very hot week? Due to weather variability, how "noisy" will any carbon flux or carbon pool signal be that we might use to try to detect change? The project resulted in the development of a new boreal forest ecosystem model. This model was the first model in the BOREAS project to look closely at the role of mosses in the ecosystem carbon balance, and also was the first model in the BOREAS project to look closely at interannual variability in carbon fluxes. Along with the work of many other groups, TE-19 modeling analysis pointed to the need for a second, longer field season in 1996, with particular focus on the spring and fall transitions and on ground vegetation. BOREAS groups TE-19 (Frolking), TGB-1 (Crill) & TGB-3 (Moore & Roulet) analyzed BOREAS data and other published and unpublished data to develop a relationship between peatland ecosystem productivity and incoming radiation, which is quite distinct from the upland ecosystem relationships observed in other studies.

Frolking, Steve↗
NASA NTRS1990

Bifurcations of relative equilibria

The characteristics of equivariant dynamical systems near relative equilibria (RE: group orbits which are invariant in the flow of an equivariant vector field) are investigated analytically, with a focus on the dynamics and bifurcation (B) behavior. The principles of Lie-group theory are reviewed; the decomposition of the vector field is explained; and particular attention is given to the Bs of RE occurring when an eigenvalue passes through zero, Hopf Bs of RE, the classification of generic secondary steady-state and Hopf Bs with symmetry group O(2), Bs of the zero solution of the Kuramoto-Shivashinsky equation, and possible generic steady-state Bs in the two-dimensional Benard problem. In the latter case, it is shown that the primary generic Bs are to two types of equilibria (hexagons and rolls), while the secondary Bs result in trajectories which are either equilibria or rotating waves.

Krupa, Martin↗
DOE OSTI2021

Final Reports of the 2019 Los Alamos National Laboratory Computational Physics Student Summer Workshop

The Los Alamos National Laboratory Computational Physics Workshop is intended to educate select students in problems of computational physics, while exciting them about problems of particular interest to LANL. The long term goal is to train a cadre of future researchers with strong connections to LANL and both interest and expertise in the problems LANL faces. This year’s workshop ran from June 10 – August 16, 2019 and once again attracted a phenomenal group of students, whose work is presented in the following pages. The students worked with LANL staff mentors in teams of two, doing original research. In addition, they attended a lecture series focusing on both the basics and the cutting edge challenges of computational physics (Table 1). A new item this year was a modification to our Meet LANL series of brown-bag lunch session, moving from focusing on individual researchers to panel presentations from the different groups within XCP. As always, the mentors were drawn from across disciplines and divisions. Projects looked physics ranging from quantum interactions, up to solar system development.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

NASA/DOD Aerospace Knowledge Diffusion Research Project. Report 8: Summary report to phase 3 faculty and student respondents

Phase 3 of a four part study was undertaken to investigate the use of scientific and technical information (STI) in the academic aerospace community. Three questionnaires that were sent to three groups (i.e., faculty, librarians, and students) in the academic aerospace community were used. Specific attention was paid to the types of STI used and the methods in which academic users acquired STI. The focus is on the responses of two of the three groups: faculty in aerospace departments and students enrolled in the USRA-funded capstone design courses. Respondents in both groups relied heavily upon informal sources of information, although students were less inclined to regard their personal collections of STI as important. Both groups relied upon most formal sources of STI about the same, but students reported more difficulty in using the formal resources.

Pinelli, Thomas E.↗
NASA NTRS2002

Martian Analogue Sample Characterization and Spectral Library Development at the Johnson Space Center

An extensive collection of Martian analogue samples housed at the Johnson Space Center is the focus of ongoing research by the JSC Mars soil genesis group and their collaborators. Because the major element composition of Martian meteorites and in situ analyses of Martian soils and rocks indicate that Mars is predominantly an iron-rich basaltic world, the focus of active sample collection and analysis is basaltic materials and their hydrolytic (both aqueous and hydrothermal) and sulfatetic alteration products. Described below are the scope of the JSC Mars analogue sample collection, the characterization process, and plans to incorporate the data into spectral libraries for the Mars 2003 Mars Exploration Rover (MER) and Mars 2005 Mars Reconnaissance Orbiter (MRO) CRISM missions.

Morris, Richard V.↗
DOE OSTI2023

Vibration Analysis - Presented to the MMWG Predictive Maintenance User’s Group [Slides]

Vibration Analysis monitors the condition of rotating equipment by focusing on the mechanical vibration the equipment transmits. For very little investment (a few thousands) you can protect millions of dollars of assets. Vibration Analysis is used to monitor fans, pumps, motors, compressors, chillers, and fixed structures. It is used to detect bearing problems, belt problems, bent shaft, misalignment, oil whirl, resonance, cavitation, recirculation, gear problems, mechanical looseness, sheave problems, unbalance, and some electrical problems including broken rotor bars and loose stators.

42 ENGINEERING↗
NASA NTRS1995

ZnO films on /001/-cut (110)-propagating GaAs substrates for surface acoustic wave device applications

A potential application for piezoelectric films substrates is the monolithic integration of surface acoustic wave (SAW) devices with GaAs electronics. Knowledge of the SAW properties of the layered structure is critical for the optimum and accurate design of such devices. The acoustic properties of ZnO films sputtered on /001/-cut group of (110) zone axes-propagating GaAs substrates are investigated in this article, including SAW velocity, effective piezoelectric coupling constant, propagation loss, diffraction, velocity surface, and reflectivity of shorted and open metallic gratings. The measurements of these essential SAW properties for the frequency range between 180 and 360 MHz have been performed using a knife-edge laser probe for film thicknesses over the range of 1.6-4 micron and with films of different grain sizes. The high quality of dc triode sputtered films was observed as evidenced by high K(sup 2) and low attenuation. The measurements of the velocity surface, which directly affects the SAW diffraction, on the bare and metalized ZnO on SiO2 or Si3N4 on /001/-cut GaAs samples are reported using two different techniques: (1) knife-edge laser probe, (2) line-focus-beam scanning acoustic microscope. It was found that near the group of (110) zone axes propagation direction, the focusing SAW property of the bare GaAs changes into a nonfocusing one for the layered structure, but a reversed phenomenon exists near the (100) direction. Furthermore, to some extent the diffraction of the substrate can be controlled with the film thickness. The reflectivity of shorted and open gratings are also analyzed and measured. Zero reflectivity is observed for a shorted grating. There is good agreement between the measured data and theoretical values.

Hickernell, Frederick S.↗
NASA NTRS1993

Film Fabrication Technologies at NREL

The National Renewable Energy Laboratory (NREL) has extensive capabilities for fabricating a variety of high-technology films. Much of the in-house work in NREL's large photovoltaics (PV) program involves the fabrication of multiple thin-film semiconducting layers constituting a thin-film PV device. NREL's smaller program in superconductivity focuses on the fabrication of superconducting films on long, flexible tape substrates. This paper focuses on four of NREL's in-house research groups and their film fabrication techniques, developed for a variety of elements, alloys, and compounds to be deposited on a variety of substrates. As is the case for many national laboratories, NREL's technology transfer efforts are focusing on Cooperative Research and Development Agreements (CRADA's) between NREL researchers and private industry researchers.

Mcconnell, Robert D.↗
DOE OSTI2020

Confronting grand unification with lepton flavour violation, dark matter and LHC data

We explore possible signatures for charged lepton flavour violation (LFV), sparticle discovery at the LHC and dark matter (DM) searches in grand unified theories (GUTs) based on SU(5), flipped SU(5) (FSU(5)) and SU(4) c ×SU(2) L ×SU(2) R (4-2-2). We assume that soft supersymmetry-breaking terms preserve the group symmetry at some high input scale, and focus on the non-universal effects on different matter representations generated by gauge interactions at lower scales, as well as the charged LFV induced in Type-1 see-saw models of neutrino masses. We identify the different mechanisms that control the relic DM density in the various GUT models, and contrast their LFV and LHC signatures. The SU(5) and 4-2-2 models offer good detection prospects both at the LHC and in LFV searches, though with different LSP compositions, and the SU(5) and FSU(5) models offer LFV within the current reach. The 4-2-2 model allows chargino and gluino coannihilations with neutralinos, and the former offer good detection prospects for both the LHC and LFV, while gluino coannihilations lead to lower LFV rates. Our results indicate that LFV is a powerful tool that complements LHC and DM searches, providing significant insights into the sparticle spectra and neutrino mass parameters in different models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Early Career Perspectives to Broaden the Scope of Critical Zone Science

Abstract Critical Zone (CZ) scientists have advanced understanding of Earth's surface through process‐based research that quantifies water, energy, and mass fluxes in predominantly undisturbed systems. However, the CZ is being increasingly altered by humans through climate and land use change. Expanding the scope of CZ science to include both human‐ and non‐human controls on the CZ is important for understanding anthropogenic impacts to Earth's surface processes and ecosystem services. Here, we share perspectives from predominantly U.S.‐based, early career CZ scientists centered around broadening the scope of CZ science to focus on societally relevant science through a transdisciplinary science framework. We call for increased training on transdisciplinary methods and collaboration opportunities across disciplines and with stakeholders to foster a scientific community that values transdisciplinary science alongside physical science. Here, we build on existing transdisciplinary research frameworks by highlighting the need for institutional support to include and educate graduate students throughout the research processes. We also call for graduate‐student‐led initiatives to increase their own exposure to transdisciplinary science through activities such as transdisciplinary‐focused seminars and symposiums, volunteering with local conservation groups, and participating in internships outside academia.

Warix, Sara [University of Utah Department of Geol↗
DOE OSTI2024

Theoretical guarantees for permutation-equivariant quantum neural networks

Despite the great promise of quantum machine learning models, there are several challenges one must overcome before unlocking their full potential. For instance, models based on quantum neural networks (QNNs) can suffer from excessive local minima and barren plateaus in their training landscapes. Recently, the nascent field of geometric quantum machine learning (GQML) has emerged as a potential solution to some of those issues. The key insight of GQML is that one should design architectures, such as equivariant QNNs, encoding the symmetries of the problem at hand. Here, we focus on problems with permutation symmetry (i.e., symmetry group $S_n$), and show how to build $S_n$-equivariant QNNs We provide an analytical study of their performance, proving that they do not suffer from barren plateaus, quickly reach overparametrization, and generalize well from small amounts of data. To verify our results, we perform numerical simulations for a graph state classification task. Our work provides theoretical guarantees for equivariant QNNs, thus indicating the power and potential of GQML.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Concurrency Supply Chain Optimization (Final Report)

Brunswick is experiencing unprecedented volume for engines and fully produced boats. Supply Chain (parts) has difficulty accurately forecasting demand needs which presents problems in the manufacturing process. Streamline ordering process enabling the Brunswick Boat Group (BBG) to more efficiently forecast part demand for the Mercury Engine Group by setting up an AI/ML model. Initial focus will be 15 SKUs with inaccurate demand forecasting based on current manual processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Discovering Innovations in Stress Tolerance through Comparative Gene Regulatory Network Analysis and Cell-Type Specific Expression Maps (Final Technical Report with Cover Page)

Through this grant, we developed a comparative framework to elucidate the mechanisms behind variations in environmental stress responses among a diverse group of species within the Brassicaceae family. Our focus was on the differences in physiological and transcriptomic responses to abscisic acid (ABA), a hormone associated with water stress. We examined the differential growth responses of four Brassicaceae species, finding that most exhibited reduced root growth correlated with smaller meristem size. In contrast, Schrenkiella parvula showed accelerated growth due to increased root cell elongation. We employed RNA sequencing to analyze the transcriptional responses to ABA across these species, and innovative bioinformatics techniques were used to pinpoint biological pathways with significant divergence. Additionally, we utilized DAP-seq to map the gene regulatory networks associated with ABAresponsive transcription factors, revealing that variations in the regulation of growth hormone biosynthesis play a critical role in the distinct ABA effects on root growth among the species. This research sets a new standard for comparative physiology by integrating comparative genomics and transcriptomics to uncover pathway divergences.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Advancing Development of Emissions Detection (Final Report)

This document is the final report to the U.S. Department of Energy (DOE for contract DE-FE0031873) awarded to Colorado State University (CSU). CSU and partners at Harrisburg University of Science and Technology, University of Texas Arlington, and University of Texas at Austin organized several testing rounds to provide knowledge focused on advancing the detection capabilities of emissions monitoring devices. With this funding opportunity the research group began by establishing the Advancing the Development of Emission Detection (ADED) program, with the goal focused on enhancing the accuracy, reliability, and field applicability of methane detection technologies. This effort aimed to address the critical challenges of identifying and quantifying methane emissions while enabling industry stakeholders to meet regulatory compliance and environmental sustainability goals. The program engaged with industry, government, and technology stakeholders to promote adoption and consensus on testing techniques for methane detection solutions. Methane, a potent greenhouse gas, contributes significantly to global warming, and the oil and natural gas (O&G) sector is a primary source of methane emissions. Regulatory measures such as leak detection and repair (LDAR) programs have been implemented to address emissions. However, traditional LDAR approaches, reliant on handheld and component-level measurements, are resource-intensive. To address these limitations and move with evolving regulations, advanced methane technologies are emerging. These solutions include ground-based sensors, mobile systems (e.g., drones, vehicles, and aircraft), and satellite-based platforms. They offer innovative capabilities for autonomous monitoring, larger spatial coverage, and emission quantification using methods such as tracer gas techniques and inverse modeling with Gaussian plume analysis. The ADED program began with creating protocols for methane controlled release (CR) testing these continuous monitoring (CM) and survey technologies that detect and monitor methane emissions at O&G facilities. The protocols were then implemented throughout testing of CM and survey devices at CSU’s Methane Emissions Technology Evaluation Center (METEC) facility from 2021 through 2024. As apart of the protocol, solutions that tested under the ADED program installed their solutions at METEC, documented their system under test, and provided detection reports to the METEC team for analysis. The METEC team would provide the solutions with analyzed reports of their emissions and ground truth data of the releases conducted during their testing session. Under the ADED program, CMs were also tested at O&G facilities for a six week test run of challenge release (ChR) releases. The findings from the ADED program underscore the critical role of collaborative research and innovation in tackling methane emissions, offering a pathway for the oil and gas sector to achieve significant environmental and economic benefits. Results from METEC testing saw improvement of performance and accuracy across all solutions over the extent of the ADED experiments. The results also showed a variance in CM solution performance between CRs and ChRs. That variance pushed the team to further analyze the differences between CR testing environments and field conditions. With the drive from regulations and that variance in field conditions, the ADED team began designing a new CR testing protocol and additions to the METEC testing facility. The METEC team is furthering the progress made through the ADED program with awarded funding from DE-FE0032276. This funding pushes the development of METEC’s addition with new equipment, allowing for an updated facility layout. METEC still facilitates for traditional facilities, with a legacy pad, while expanding an new design based on how O&G infrastructure has Final Report - Contract Number: DE-FE0031873 been changed over the last decade. Throughout the ADED program the team has also been working with international partners to ensure staying in the trend globally. International partners have been essential in moving the new protocol forward to implement into CR testing at the METEC facility in Spring 2025.

42 ENGINEERING↗
DOE OSTI2025

Establishing In-House Titration Capabilities: Part I. Hydroxyl Group Titration through Acetic Anhydride Acetylation

This lessons learned document provides a detailed analysis of the hydroxy termination titration methods employed for determining hydroxyl group content in various chemical samples. The primary focus is on the evaluation of techniques such as ASTM E222 and their practical applications in laboratory settings. Through examination of method selection, sample preparation, and titration execution, key insights have been identified that enhance the accuracy and reliability of results. Notable findings include the advantages of using pressure bottle methods for improved heating uniformity and reduced solvent loss, as well as the challenges associated with endpoint detection in dark-colored solutions. Recommendations for alternative sampling and titration techniques are proposed to address these challenges. This document serves as a valuable resource for enhancing the effectiveness and efficiency of hydroxy termination titration methods in chemical analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗