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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Accelerated data-driven materials science with the Materials Project

The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.

Horton, Matthew K↗
DOE OSTI2021

Full spectrum optical constant interface to the Materials Project

Optical constants characterize the interaction of materials with light and are important properties in material design. Here we present a Python-based Corvus workflow for simulations of full spectrum optical constants from the visible and ultraviolet to hard x-ray wavelengths based on the real-space Green’s function code FEFF10 and structural data from the Materials Project (MP). The Corvus workflow manager and its associated tools provide an interface to FEFF10 and the MP database. The workflow parallelizes the FEFF computations of optical constants over all absorption edges for each material in the MP database specified by a unique MP-ID. The workflow tools determine the distribution of computational resources needed for that case. Similarly, the optical constants for selected sets of materials can be computed in a single-shot. Additionally, to illustrate the approach, we present results for several elemental solids in the periodic table, as well as a sample compound, and compare our predictions with experimental results. In addition, we provide a database of calculated results for all elements for which there is a stable elemental solid at standard conditions available in the Materials Project database. As in x-ray absorption spectra, these results are interpreted in terms of an atomic-like background and fine-structure contributions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Subcomponent Validation of Composite Joints for the Marine Energy Advanced Materials Project

The Marine Energy Advanced Materials project is an ongoing multi-year, multi-lab project with the main goals of addressing barriers and uncertainties facing marine energy developers in adopting advanced materials for structural applications. NREL's goals of the project were to address subcomponents testing needs for marine energy materials, to improve understanding of design allowables at the full-scale and provide near net-scale static and fatigue data of composite subcomponents using materials applicable to the marine energy industry. In the long term, the test method development and data generated would be used to inform standards development. This report outlines perhaps one of the largest-scale studies conducted with regards to saltwater conditioning of various composite material subcomponents and their subsequent structural validation, specifically directed at the marine renewable energy industry. A variety of fiberglass composite panels with epoxy and vinyl ester epoxy resin systems were manufactured at Montana State University, which were then used to manufacture an array of different types of subcomponent test specimens at the National Renewable Energy Laboratory's Flatirons Campus. These subcomponents were in the form of T-bolt and double-ended-insert specimens, which were intended to represent bonded and mechanical bolted connections for thick composite laminates, metal-metal and composite lap shear specimens to evaluate adhesion of constituent materials, and adhesive beam-shear specimens as part of an effort to better evaluate the characteristics of thick adhesive bondlines. Overall, the materials used were fiberglass reinforced epoxy and vinyl ester matrix composites, epoxy and methacrylate adhesives, and 316 and 2507 stainless steels. Specimens were then conditioned in salt water at various temperatures and for various periods of time at Florida Atlantic University and Pacific Northwest National Laboratory. All specimens were then mechanically characterized and validated using various test methods under static and fatigue loading conditions at NREL's Structural Technology Laboratory. Throughout the conditioning and mechanical validation process, valuable experience was gained, which will help guide future test method development for marine energy materials. In many instances, the results indicated similar observations as to what had been observed during previous coupon scale characterization efforts that provided a vital understanding of the scale up process. However in some instances, unexpected phenomena were observed, such as interactions between the adhesives and 316 steel. Furthermore, some materials exhibited significant degradation due to the saltwater conditioning. Ultimately, this report provides a detailed summary of the specimens that were designed, the subcomponent test methods that were developed, and the results that were generated, which will serve as important guidance for marine renewable energy developers and researchers for future structural designs and validation.

16 TIDAL AND WAVE POWER↗
NASA NTRS2015

Space Radiation Effects on Inflatable Habitat Materials Project

The Space Radiation Effects on Inflatable Habitat Materials project provides much needed risk reduction data to assess space radiation damage of existing and emerging materials used in manned low-earth orbit, lunar, interplanetary, and Martian surface missions. More specifically, long duration (up to 50 years) space radiation damage will be quantified for materials used in inflatable structures (1st priority), as well as for habitable composite structures and space suits materials (2nd priority). The data acquired will have relevance for nonmetallic materials (polymers and composites) used in NASA missions where long duration reliability is needed in continuous or intermittent radiation fluxes. This project also will help to determine the service lifetimes for habitable inflatable, composite, and space suit materials.

Waller, Jess M.↗
DOE OSTI2023

Quantifying uncertainty in high-throughput density functional theory: A comparison of AFLOW, Materials Project, and OQMD

A central challenge in high-throughput density functional theory (HT-DFT) calculations is selecting a combination of input parameters and postprocessing techniques that can be used across all materials classes, while also managing accuracy-cost tradeoffs. To investigate the effects of these parameter choices, we consolidate three large HT-DFT databases: Automatic-FLOW (AFLOW), the Materials Project (MP), and the Open Quantum Materials Database (OQMD), and compare reported properties across each pair of databases for materials calculated using the same initial crystal structure. We find that HT-DFT formation energies and volumes are generally more reproducible than band gaps and total magnetizations; for instance, a notable fraction of records disagree on whether a material is metallic (up to 7%) or magnetic (up to 15%). The variance between calculated properties is as high as 0.105 eV/atom (median relative absolute difference, or MRAD, of 6%) for formation energy, 0.65 Å 3 / atom (MRAD of 4%) for volume, 0.21 eV (MRAD of 9%) for band gap, and 0.15 μB/ formula unit (MRAD of 8%) for total magnetization, comparable to the differences between DFT and experiment. Here, we trace some of the larger discrepancies to choices involving pseudopotentials, the DFT + U formalism, and elemental reference states, and argue that further standardization of HT-DFT would be beneficial to reproducibility.

36 MATERIALS SCIENCE↗
NASA NTRS2016

Evaluation of SPE and GCR Radiation Effects in Inflatable, Space Suit and Composite Habitat Materials Project

The radiation resistance of polymeric and composite materials to space radiation is currently based on irradiating materials with Co-60 gamma-radiation to the equivalent total ionizing dose (TID) expected during mission. This is an approximation since gamma-radiation is not truly representative of the particle species; namely, Solar Particle Event (SPE) protons and Galactic Cosmic Ray (GCR) nucleons, encountered in space. In general, the SPE and GCR particle energies are much higher than Co-60 gamma-ray photons, and since the particles have mass, there is a displacement effect due to nuclear collisions between the particle species and the target material. This effort specifically bridges the gap between estimated service lifetimes based on decades old Co-60 gamma-radiation data, and newer assessments of what the service lifetimes actually are based on irradiation with particle species that are more representative of the space radiation environment.

Waller, Jess M.↗
NASA NTRS2017

NASA's In-Space Manufacturing Project: Materials and Manufacturing Process Development Update

The mission of NASA's In-Space Manufacturing (ISM) project is to identify, design, and implement on-demand, sustainable manufacturing solutions for fabrication, maintenance and repair during exploration missions. ISM has undertaken a phased strategy of incrementally increasing manufacturing capabilities to achieve this goal. The ISM project began with the development of the first 3D printer for the International Space Station. To date, the printer has completed two phases of flight operations. Results from phase I specimens indicated some differences in material properties between ground-processed and ISS-processed specimens, but results of follow-on analyses of these parts and a ground-based study with an equivalent printer strongly indicate that this variability is likely attributable to differences in manufacturing process settings between the ground and flight prints rather than microgravity effects on the fused deposition modeling (FDM) process. Analysis of phase II specimens from the 3D Printing in Zero G tech demo, which shed further light on the sources of material variability, will be presented. The ISM project has also developed a materials characterization plan for the Additive Manufacturing Facility, the follow-on commercial multimaterial 3D printing facility developed for ISS by Made in Space. This work will yield a suite of characteristic property values that can inform use of AMF by space system designers. Other project activities include development of an integrated 3D printer and recycler, known as the Refabricator, by Tethers Unlimited, which will be operational on ISS in 2018. The project also recently issued a broad area announcement for a multimaterial fabrication laboratory, which may include in-space manufacturing capabilities for metals, electronics, and polymeric materials, to be deployed on ISS in the 2022 timeframe.

Prater, Tracie↗
NASA NTRS2014

Advanced Compatibility Characterization Of AF-M315E With Spacecraft Propulsion System Materials Project

All spacecraft require propulsion systems for thrust and maneuvering. Propulsion systems can be chemical, nuclear, electrical, cold gas or combinations thereof. Chemical propulsion has proven to be the most reliable technology since the deployment of launch vehicles. Performance, storability, and handling are three important aspects of liquid chemical propulsion. Bipropellant systems require a fuel and an oxidizer for propulsion, but monopropellants only require a fuel and a catalyst for propulsion and are therefore simpler and lighter. Hydrazine is the state of the art propellant for monopropellant systems, but has drawbacks because it is highly hazardous to human health, which requires extensive care in handling, complex ground ops due to safety and environmental considerations, and lengthy turnaround times for reusable spacecraft. All users of hydrazine monopropellant must contend with these issues and their associated costs. The development of a new monopropellant, intended to replace hydrazine, has been in progress for years. This project will apply advanced techniques to characterize the engineering properties of materials used in AF-M315E propulsion systems after propellant exposure. AF-M315E monopropellant has been selected HQ's Green Propellant Infusion Mission (GPIM) to replace toxic hydrazine for improved performance and reduce safety and health issues that will shorten reusable spacecraft turn-around time. In addition, this project will fundamentally strengthen JSC's core competency to evaluate, use and infuse liquid propellant systems.

McClure, Mark B.↗
DOE OSTI2024

DISCOVARY PROJECT: Material Background Report

UC/UO 2 composites have been proposed as a next generation fuel for light water reactors (LWRs). Accident tolerant fuels (ATF) have been a focus in the Advanced Fuels Campaign (AFC) to improve the safety and performance of LWRs and includes research and development efforts on the cladding and fuel. The 10 wt.% UC/UO 2 composite fuel was selected as a result of an extensive literature review and was selected due to the improvement of the fuel cycle cost. The inclusion of a UC phase in the composite material improves on the properties of standard UO 2 by increasing the uranium density of the fuel and increasing the thermal conductivity. Significant development has been carried out to refine the processing and sintering parameters and has led to a dense composite without ternary phases present. Characterization of the chemistry and microstructure has been carried out to send ahead of neutron irradiations in the Belgium Research Reactor (BR2) at SCK-CEN.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1999

Mars Millenium Project Materials

Human beings have long been fascinated with the stars, planets and galaxies within the universe, beyond Earth, sometimes called our Blue Planet. Today we have seen that the impossible has come within reach, the difficult has become reality.

teachers students content knowledge curriculum goa↗
NASA NTRS2014

Switchable Shape Memory Alloys (SMA) Thermal Materials Project

Develop 2-way switchable thermal systems for use in systems that function in cold to hot temperature ranges using different alloy designs for SMA system concepts. In this project, KSC will specifically address designs of two proof of concept SMA systems with transition temperatures in the 65-95 C range and investigate cycle fatigue and "memory loss" due to thermal cycling.

thermal↗