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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Lifetime Energy Savings Via Advanced Manufacturing of Low Density Steels for Transportation Applications

The purpose of this “Low Density Steels for Transportation Applications” project was to develop an alloy composition and processing parameters that would result in a material suitable for use in automotive structural components at a reduced density over the current advanced high strength steel (AHSS) materials used. The project work successfully developed a robust alloy capable of exceeding project mechanical property targets at each stage of development, with an 8% density reduction over benchmark AHSS materials (7.8 g/cm3). The developed alloy has the potential to offer significant vehicle lightweighting and improved fuel economy, without sacrificing the increased passenger safety of more traditional AHSS. Through the three tasks of the project, (1) Alloy design and small-scale laboratory evaluation, (2) Laboratory development of hot rolled material and (3) Laboratory development of a cold rolled material, the laboratory work utilized advanced characterization and analytical methods on novel alloy compositions subjected to both conventional and non-conventional processing operations.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

The Influence of Self-Reported Distractions on the Psychomotor Vigilance Task (PVT) in Laboratory and Field Environments

Introduction: The Psychomotor Vigilance Task (PVT) is a measure of vigilant attention that is commonly used in laboratory environments to assess the neurobehavioral impact of sleep loss and circadian misalignment. The PVT has been increasing in popularity for use in field environments; however, the potential for distraction is higher in the field compared to the lab. It is unclear how distractions experienced by individuals taking the PVT in the real world may influence reaction time metrics. We investigated the influence of self-reported distraction on PVT outcomes across laboratory and field environments. Methods: We examined PVT data from five studies including short (n=36 participants, 3799 PVTs) and long-haul (n=75 participants, 3283 PVTs) airline personnel, control center personnel (n=5 participants, 96 PVTs), and healthy individuals who participated in a study involving at-home and laboratory assessments (n=12 participants, 486 and 310 PVTs). Individuals in all of the studies were asked to complete the five-minute NASA PVT at least three times daily. Participants were asked to indicate the number of distractions they experienced immediately after each PVT. Mean PVT reaction time (RT) and number of distractions were computed for each study and overall. Results: Participants reported more distractions in field environments compared to the lab (short-haul=1.29 +/- 1.48, long-haul=0.66 +/- 1.07, control-center=1.20 +/- 1.37, at-home=0.86 +/- 1.36, laboratory=0.46 +/- 1.07) Across all studies, we found that PVT RT slowed as self-reported distractions increased (all studies combined: 0 distractions=PVT RT 274.4ms; 1=284.6ms; 2=302.9ms; 3=321.2ms; >4=409.3ms). These findings were similar for healthy participants completing PVTs at home (0 distractions=287.1ms; 1=309.9ms; 2=328.3ms; 3=369.8ms; >4=385.1ms) but were less consistent during in-lab assessments (0 distractions=278.7ms; 1=316.2ms; 2=396.2ms; 3=370.4ms; >4=354.4ms). These findings were similar for other PVT outcomes. Conclusion: Participants reported more distractions in field environments compared to the laboratory. Our findings suggest that the number of distractions that individuals report experiencing while taking a PVT increases the reaction time registered by the device. Researchers should collect information about distractions during the PVT and should be aware that distractions may influence the recorded PVT reaction time.

behavior↗
DOE OSTI2020

Predicting the propensity for thermally activated β events in metallic glasses via interpretable machine learning

Abstract The elementary excitations in metallic glasses (MGs), i.e., β processes that involve hopping between nearby sub-basins, underlie many unusual properties of the amorphous alloys. A high-efficacy prediction of the propensity for those activated processes from solely the atomic positions, however, has remained a daunting challenge. Recently, employing well-designed site environment descriptors and machine learning (ML), notable progress has been made in predicting the propensity for stress-activated β processes (i.e., shear transformations) from the static structure. However, the complex tensorial stress field and direction-dependent activation could induce non-trivial noises in the data, limiting the accuracy of the structure-property mapping learned. Here, we focus on the thermally activated elementary excitations and generate high-quality data in several Cu-Zr MGs, allowing quantitative mapping of the potential energy landscape. After fingerprinting the atomic environment with short- and medium-range interstice distribution, ML can identify the atoms with strong resistance or high compliance to thermal activation, at a high accuracy over ML models for stress-driven activation events. Interestingly, a quantitative “between-task” transferring test reveals that our learnt model can also generalize to predict the propensity of shear transformation. Our dataset is potentially useful for benchmarking future ML models on structure-property relationships in MGs.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Human Spaceflight Recent Conjunctions of Interest

I. During each nine-hour shift (or upon request), the Orbital Safety Analyst (OSA) at JSpOC updates the entire tracked catalog with the latest tracking data from the SSN and screens this catalog against NASA s assets. a) For ISS operations, a 72-hour advance screening is performed. b) For Shuttle orbit operations, a 36-hour advance screening is performed. c) If a vehicle is performing a maneuver during the screening period, OSA uses post-reboost-trajectory data supplied by Mission Control Center-Houston (MCC-H) for screening. II. An automated process is used to detect any conjunctions within 10 x 40 x 40 km box (centered on the vehicle) using Special Perturbation (SP) processing: a) Box dimensions are Radial x Downtrack x Crosstrack. b) Any object found within this box has the tracking tasking level increased to improve (hopefully) its uncertainty in its current and predicted orbital trajectory. c) OSA informs NASA if any object is found inside a 2 x 25 x 25 km box then creates and sends an Orbital Conjunction Message (OCM) to NASA which contains detailed information about the conjunction. d) For Shuttle, the box size used for screening and reporting is altered for special operations (day of rendezvous, launch screening, etc.).

Browns, Ansley C.↗
DOE OSTI2014

Effects of Extreme and Unusual Conditions on Lana Alloys: Interim Report (FY14)

In early FY14, funding was offered to allow pursuit of the objectives outlined in "Effects of Extreme and Unusual Conditions on LANA Alloys: Task Technical and Quality Plan (U)", SRNL-RP-2013-00778 (herein called the "TTP"). This report addresses the milestone "Write Interim Report". Herein, a summary of the research results obtained through March 31, 2014 will be presented. Additionally, activities and obstacles to be expected for meeting the TTP milestones will be reported.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Preparation of Aluminum Oxide Films Under Water Exposure – Preliminary Report on 1100 Series Alloys

This report describes laboratory experiments performed to produce oxyhydroxide (oxide) films on aluminum 1100 series alloy substrates at various water/temperature conditions. The aluminum alloys selected in this program are types used on aluminum-clad research reactor fuel, and the water/temperature conditions are selected to produce film structures that would be prototypic to those formed on the fuel as a result of reactor exposure and post-discharge water and/or dry storage exposure. The experimental set-up and results to characterize the oxide morphology, thickness, structure, and chemical composition are reported. The results from this work will be compared to oxide characterizations of fuel cladding alloys that have been exposed to actual reactor and post-discharge service conditions. The aim is to develop a laboratory protocol to produce specimens for further studies for response under drying and radiation conditions. The work in this report is interim results and preliminary information prepared under Task 6, Milestone 6.1 in TTQAP SRNL-RP-2018-00610 as part of the action plan described in Ref. [1]. Additional experimental milestones are in progress and will be reported upon completion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Designing New Materials for Photovoltaics: Opportunities for Lowering Cost and Increasing Performance through Advanced Material Innovations

Within the framework of IEA PVPS, Task 13 aims to provide support to market actors working to improve the operation, the reliability and the quality of PV components and systems. Operational data from PV systems in different climate zones compiled within the project will help provide the basis for estimates of the current situation regarding PV reliability and performance. The general setting of Task 13 provides a common platform to summarize and report on technical aspects affecting the quality, performance, reliability and lifetime of PV systems in a wide variety of environments and applications. By working together across national boundaries we can all take advantage of research and experience from each member country and combine and integrate this knowledge into valuable summaries of best practices and methods for ensuring PV systems perform at their optimum and continue to provide competitive return on investment. Task 13 has so far managed to create the right framework for the calculations of various parameters that can give an indication of the quality of PV components and systems. The framework is now there and can be used by the industry who has expressed appreciation towards the results included in the high-quality reports. The IEA PVPS countries participating in Task 13 are Australia, Austria, Belgium, Canada, Chile, China, Denmark, Finland, France, Germany, Israel, Italy, Japan, the Netherlands, Norway, Spain, Sweden, Switzerland, Thailand, and the United States of America.

14 SOLAR ENERGY↗
DOE OSTI2019

EFRC 10@10: Developing the Next Generation of Scientific Talent: Erin Ratcliff

Erin Ratcliff studied chemistry, mathematics, and statistics as an undergraduate at St. Olaf College in Minnesota and then completed a doctorate in physical chemistry at Iowa State University. That breadth of knowledge combined with her enthusiasm, drive, and ability to communicate were what convinced Regents Professor Neal Armstrong to offer her a postdoctoral position in his laboratory at the University of Arizona. One of her first tasks there was to help with the application for what became an Energy Frontier Research Center (EFRC), the Center for Interface Science: Solar Electric Materials, focused on thin-film solar cell materials. When the grant came through, Armstrong created a position for Erin as a research scientist for the Center.

14 SOLAR ENERGY↗
DOE OSTI2024

Data-driven search for promising intercalating ions and layered materials for metal-ion batteries

The rise in demand for lithium-ion batteries has led to a large-scale search for electrode materials and intercalating ion species to meet the demands of next-generation energy technologies. Recent efforts largely focus on searching for cathodes that can accommodate large amounts of intercalating ions, but similar work on anodes is relatively limited. This study utilizes machine learning methods to find alternative two-dimensional (2D) materials and intercalating ions beyond Li for metal-ion batteries with high-power efficiencies. The approach first uses density functional theory (DFT) calculations to estimate the theoretical capacities and voltages of various metal ions on 2D materials. The DFT-generated data also provide insights into the local structural accommodation upon ion intercalation on various 2D materials. Significant changes to the lattice can result in irreversible changes to the bonding environments in the anode material, resulting in poor cycling stability. Next, this study develops a binding energy and structural accommodation-based classification model to screen anode materials for next-generation batteries. The classification model selects intercalating ions and 2D material pairs suitable for batteries based on the calculated voltage and volumetric changes in the 2D material upon intercalation. Finally, this study builds a regression model to accurately predict the binding energies of the various intercalating ions on 2D materials. The approach highlights the importance of different elemental and structural features for classification and regression tasks. In conclusion, the insights gained from this study on the role of involved features, such as electronegativities of the constituent ions and the presence of unfilled electronic levels, will help to streamline further studies towards the search for future layered battery materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Right band gaps for the right reason at low computational cost with a meta-GGA

In density functional theory, traditional explicit density functionals such as the local density approximation and generalized gradient approximations cannot accurately predict the band gap of solids for a fundamental reason: They lack the exchange-correlation derivative discontinuity. By comparing Kohn-Sham and generalized Kohn-Sham calculations, we here show that the nonempirical meta-generalized-gradient-approximation (meta-GGA) TASK from Aschebrock and Kümmel [Phys. Rev. Res. 1, 033082 (2019)] predicts the right gaps for the right reason, i.e., as a combination of a proper Kohn-Sham gap and a substantial derivative discontinuity contribution. For many materials from small-gap semiconductors to large-gap insulators, the proper band gap is thus obtained. Here we further study a group of metal-halide perovskites for which the band gap is notoriously hard to predict. For these materials, TASK yields band gaps very similar to the nonlocal screened hybrid Heyd-Scuseria-Ernzerhof functional, yet at a fraction of the hybrid functional’s computational cost. We discuss the influence of correlation functionals, and open questions in the comparison of calculated band gaps with experimental ones.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Materials for Harsh Environments

The 2020 Materials for Harsh Service Conditions (M4HSC) Workshop was coordinated by three different U.S. Department of Energy (DOE) Offices: the Advanced Manufacturing Office (AMO), the Office of Fossil Energy (FE), and the Office of Nuclear Energy (NE). The event was held virtually October 27–30, 2020. The workshop brought together stakeholders from academia, industry, national laboratories, and DOE offices to identify the opportunities (paths for obtaining desirable goals), challenges (actionable tasks taken up along these paths), barriers (obstacles impeding advancement along the paths), and research and development (R&D) needs for enabling development of technology readiness level (TRL) 3–6 materials and materials systems, as well as their advancement into widespread commercial application.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Using Crystallization to Control Filler Dispersion and Vice Versa in Polymer Nanocomposites

Our overall goal was to exploit our ability to control the spatial dispersion of spherical nanoparticles in a semicrystalline polymer matrix to tune the properties of the resulting nanocomposite. In particular, our two tasks were: Hierarchically organize spherical nanoparticles into unique morphologies by varying the ratio of the polymer crystallization rate to the filler diffusion rate during matrix solidification. Organize nanoparticles in the matrix melt into superstructrues as a means to tailor polymer crystallization rates, and potentially the crystal structure and/or morphology of the semicrystalline matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2014

R&D for Safety Codes and Standards: Materials and Components Compatibility

A principal challenge to the widespread adoption of hydrogen infrastructure is the lack of quantifiable data on its safety envelope and concerns about additional risk from hydrogen. To convince regulatory officials, local fire marshals, fuel suppliers, and the public at large that hydrogen refueling is safe for consumer use, the risk to personnel and bystanders must be quantified and minimized to an acceptable level. Such a task requires strong confidence in the safety performance of high pressure hydrogen systems. Developing meaningful materials characterization and qualification methodologies in addition to enhancing understanding of performance of materials is critical to eliminating barriers to the development of safe, low-cost, high-performance high-pressure hydrogen systems for the consumer environment.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Elucidating the Morphological Instability Mechanisms During Electrodeposition of Active Metals

The primary aim of this investigation is to elucidate the mechanisms by which a group of metals pertinent to battery technology exhibit unstable growth morphology during electrodeposition, which are crucial for the operational efficacy of batteries. The metals under consideration include alkali metals alongside zinc, all of which are characterized by high atomic mobility and reactivity with the electrolytes employed in battery systems. These materials represent promising electrode candidates for next-generation rechargeable batteries that are anticipated to deliver significantly enhanced energy density at a reduced cost. Nevertheless, the widespread occurrence of distinctly non-uniform morphologies, exemplified by the emergence of filamentous and moss-like structures, constitutes a significant impediment to their effective utilization, as it leads to accelerated capacity degradation and potential internal short circuits. This study addresses a critical question that has thus far garnered limited attention: Does the residual stress induced by the plating process play an instrumental role in inducing the morphological instability? Utilizing zinc as the primary model system, this project will be executed through three interconnected tasks: (1) the quantification of the relationship between plating stress and electroplating morphologies, (2) the three-dimensional imaging of the microstructure of the mossy structure at the nanoscale, and (3) the development of a mesoscale electroplating model to interpret empirical findings and generate additional predictive insights.

25 ENERGY STORAGE↗
DOE OSTI2025

Cluster-Graph Fingerprinting: A Framework for Quantitative Analysis of Machine-Learned Interatomic Model Training and Simulation Data

Machine-learned interatomic models represent a significant advancement in simulation methods, extending the predictive ability of first-principles methods to previously inaccessible length and time scales. However, the data-driven nature of these models can lead to difficult-to-detect errors that can compromise prediction accuracy. To address this challenge, we introduce a novel fingerprinting approach based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES) ML-IAM graph-based descriptor. Our strategy enables efficient and statistically rigorous analysis of system configurations used in ML-IAM training and those generated by their application, e.g., in molecular dynamics simulations. We demonstrate that these fingerprints can effectively assess novelty of a configuration relative to an existing data set and determine dissimilarity among individual configurations, which are two key tasks in workflows for active learning-based ML-IAM training, data set curation, and on-the-fly uncertainty quantification.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Maximizing efficiency of dataset compression for machine learning potentials with information theory

Machine learning interatomic potentials (MLIPs) balance high accuracy and lower costs compared to density functional theory calculations, but their performance often depends on the size and diversity of training datasets. Large datasets improve model accuracy and generalization but are computationally expensive to produce and train on, while smaller datasets risk discarding rare but important atomic environments and compromising MLIP accuracy/reliability. Here, we develop an information-theoretical framework to quantify the efficiency of dataset compression methods and propose an algorithm that maximizes this efficiency. By framing atomistic dataset compression as an instance of the minimum set cover (MSC) problem over atom-centered environments, our method identifies the smallest subset of structures that contains as much information as possible from the original dataset while pruning redundant information. The approach is extensively demonstrated on the GAP-20 and TM23 datasets and validated on 64 varied datasets from the ColabFit repository. Across all cases, MSC consistently retains outliers, preserves dataset diversity, and reproduces the long-tail distributions of forces even at high compression rates, outperforming other subsampling methods. Furthermore, MLIPs trained on MSC-compressed datasets exhibit reduced error for out-of-distribution data even in low-data regimes. We explain these results using an outlier analysis and show that such quantitative conclusions could not be achieved with conventional dimensionality reduction methods. The algorithm is implemented in the open-source QUESTS package and can be used for several tasks in atomistic modeling, from data subsampling, outlier detection, and training improved MLIPs at a lower cost.

36 MATERIALS SCIENCE↗
DOE OSTI2025

ASME Composite Code Rule Development Status

This report provides an update on the status of the composite code rule development for the American Society of Mechanical Engineers (ASME) Boiler Pressure Vessel (BPV) code Section III Division 5 Subsection HA Subpart B (HAB) and Subsection HH Subpart B (HHB) during FY 2025 (from October 2024 to September 2025). In the context of this document, reference to “the code” is specific to these subsections unless otherwise specified. A composites task group under the ASME Nonmetallic Design and Materials Working Group (WG-NDM), with the support of external experts, was established and is now working toward addressing previously identified areas.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Gamma-Ray Mirrors (Quarterly Progress Report Q2 FY20 Jan-Mar 2020)

During the second quarter of FY20, the optic design, or Phase II Task 2 of the project, continued. Our investigation of two full revolution shell designs has shown that the radius of the optic would be small to maintain throws to reasonable limits. These efforts are informing our alternative segmented optics design in Q3. We have also started investigating the Kirkpatrick-Baez Optic as a backup option.

36 MATERIALS SCIENCE↗