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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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NASA NTRS1990

First International Microgravity Laboratory

This colorful booklet presents capsule information on every aspect of the International Microgravity Laboratory (IML). As part of Spacelab, IML is divided into Life Science Experiments and Materials Science Experiments. Because the life and materials sciences use different Spacelab resources, they are logically paired on the IML missions. Life science investigations generally require significant crew involvement, and crew members often participate as test subjects or operators. Materials missions capitalize on these complementary experiments. International cooperation consists in participation by the European Space Agency, Canada, France, Germany, and Japan who are all partners in developing hardware and experiments of IML missions. IML experiments are crucial to future space ventures, like the development of Space Station Freedom, the establishment of lunar colonies, and the exploration of other planets. Principal investigators are identified for each experiment.

Mcmahan, Tracy↗

DOE OSTI2025

Glassy interphases reinforce elastomeric nanocomposites by enhancing percolation-driven volume expansion under strain

For nearly a century, introduction of nanoparticles to elastomers has yielded extraordinarily tough nanocomposites that are critical to technologies from actuators to tires. The mechanisms by which this reinforcement occurs have nevertheless remained a central open question in material science. One widely debated hypothesis posits that strong interactions between polymer and particles induce "glassy bridges" that cement particles into a cohesive percolating network that resists elongation. Here, molecular dynamics simulations show that glassy particle shells do not primarily provide elongational cohesion. Instead, they amplify an underlying mechanism wherein competition between filler and elastomer networks causes the elastomer's volume to increase on deformation. This induces contributions from the elastomer's bulk modulus, which is of order 1000 times larger than its Young's modulus. These findings establish a unified understanding of low-strain reinforcement in filled elastomers as emanating from volumetric competition between coexisting particulate and elastomeric networks. This reframes and unifies our understanding of low-strain reinforcement, provides a clear-cut diagnostic for the presence of glassy bridging, and offers a new design principle for tough elastomeric nanocomposites.

Computational Physics (physics.comp-ph)↗

DOE OSTI2016

Graduate Student Program in Materials and Engineering Research and Development for Future Accelerators

The objective of the proposal was to develop graduate student training in materials and engineering research relevant to the development of particle accelerators. Many components used in today's accelerators or storage rings are at the limit of performance. The path forward in many cases requires the development of new materials or fabrication techniques, or a novel engineering approach. Often, accelerator-based laboratories find it difficult to get top-level engineers or materials experts with the motivation to work on these problems. The three years of funding provided by this grant was used to support development of accelerator components through a multidisciplinary approach that cut across the disciplinary boundaries of accelerator physics, materials science, and surface chemistry. The following results were achieved: (1) significant scientific results on fabrication of novel photocathodes, (2) application of surface science and superconducting materials expertise to accelerator problems through faculty involvement, (3) development of instrumentation for fabrication and characterization of materials for accelerator components, (4) student involvement with problems at the interface of material science and accelerator physics.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Ultrafast Probes for Dirac Materials

Overview of capabilities and recent results for collaborative effort through Institute for Materials Science (Quantum and Dirac Materials).

36 MATERIALS SCIENCE↗

NASA NTRS1983

Space station needs, attributes and architectural options study. Volume 2: Mission analysis

Space environment studies, astrophysics, Earth environment, life sciences, and material sciences are discussed. Commercial communication, materials processing, and Earth observation missions are addressed. Technology development, space operations, scenarios of operational capability, mission requirements, and benefits analysis results for space-produced gallium arsenide crystals, direct broadcasting satellite systems, and a high inclination space station are covered.

Source record↗

DOE OSTI2015

Mechanical properties of materials with nanometer scale dimensions and microstructures

The three-year grant for which this final report is required extends from 2011 to 2015, including a one-year, no-cost extension. But this is just the latest in a long series of grants from the Division of Materials Sciences of DOE and its predecessor offices and agencies. These include contracts or grants from: the Metallurgy Branch of the U.S. Atomic Energy Commission (from the late 1960s to the mid-1970s), the Materials Science Program of the U.S. Energy Research and Development Administration (from the mid- to late- 1970s), and the Division of Materials Science of the Office of Basic Energy Sciences of the U.S. Department of Energy (from the early 1980s to the present time). Taken all together, these offices have provided nearly continuous support for our research for nearly 50 years. As we have said on many occasions, this research support has been the best we have ever had, by far. As we look back on the nearly five decades of support from the Division of Materials Sciences and the predecessor offices, we find that the continuity of support that we have enjoyed has allowed us to be most productive and terms of papers published, doctoral students graduated and influence on the field of materials science. This report will, of course, cover the three-year period of the present grant, in summary form, but will also make reference to the output that resulted from support of previous grants from the Division of Materials Sciences and its predecessor offices.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics

The importance of data curation has been recognized in multiple areas of research; however, the discussion of this important issue is only beginning to emerge in materials science. In this Perspective, we highlight the benefits of using the standardized data curation protocols in materials science and discuss current gaps in accurate and reproducible data reporting using case studies drawn from high-impact materials science papers and well-known databases such as the Crystallography Open Database (COD) and the Cambridge Structural Database (CSD). We argue that both experimental and computational materials scientists need to embrace a culture of rigorous data curation as part of modern research data management. We propose a sample data curation pipeline for materials chemistry and illustrate its use by creating two new materials chemistry databases. Here, we hope that this perspective will serve to catalyze further discussion and promote the continuous development of rigorous data curation practices within the materials science research community. We posit that adherence to best practices of data curation will promote and enhance the reliability, reproducibility, and integrity of materials research and enable the development of reliable AI and machine learning models that critically depend on the use of quality data.

Chemical structure↗

DOE OSTI2017

Fusion Materials Research at Oak Ridge National Laboratory in Fiscal Year 2017

Achieving fusion energy presents a formidable challenge to the field of materials science, to provide a suite of suitable materials in close integration to the plasma physics and other applied technologies. The technological challenge presented by the planned fusion power systems is the inability of current materials and components to withstand the harsh fusion nuclear environment. The overarching goal of the ORNL fusion materials program is to provide the applied materials science support and materials understanding to underpin the ongoing DOE Office of Science fusion energy program in parallel with developing materials for fusion power systems. In this effort the program continues to be integrated both with the larger U.S. and international fusion materials communities and with the international fusion design and technology communities. This long-running ORNL program continues to pursue development of low activation structural materials such as the Reduced Activation Ferritic/Martensitic Steels, higher strength/higher creep resistant/coolant compatible/radiation tolerant advanced steels, and Silicon Carbide Composites. Focus tasks within the steels portfolio are development of Castable Nanostructured Alloys, exploratory work on Bainitic steels and liquid metal compatibility evaluations. Parallel to this is the increased emphasis on radiation effects, high heat flux testing and the development of refractory metals. This includes the use of an ORNL Plasma Arc Lamp facility adapted for the thermal testing of irradiated materials, the development and evaluation of new tungsten materials, and the study and understanding of the irradiation performance of tungsten. In each case the materials are being developed in a design-informed fashion where properties improvements are led by fusion-relevant design studies and directed at advancing the Technology Readiness Level of the material systems.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Materials data science using CRADLE: A distributed, data-centric approach

Abstract There is a paradigm shift towards data-centric AI, where model efficacy relies on quality, unified data. The common research analytics and data lifecycle environment (CRADLE™) is an infrastructure and framework that supports a data-centric paradigm and materials data science at scale through heterogeneous data management, elastic scaling, and accessible interfaces. We demonstrate CRADLE’s capabilities through five materials science studies: phase identification in X-ray diffraction, defect segmentation in X-ray computed tomography, polymer crystallization analysis in atomic force microscopy, feature extraction from additive manufacturing, and geospatial data fusion. CRADLE catalyzes scalable, reproducible insights to transform how data is captured, stored, and analyzed. Graphical abstract

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Materials for suspension (semi-solid) electrodes for energy and water technologies

Suspension or semi-solid electrodes have recently gained increased attention for large-scale applications such as grid energy storage, capacitive water deionization, and wastewater treatment. A suspension electrode is a multiphase material system comprised of an active (charge storing) material suspended in ionic solution (electrolyte). Gravimetrically, the electrolyte is the majority component and aids in physical transport of the active material. This principle enables, for the first time, scalability of electrochemical energy storage devices (supercapacitors and batteries) previously limited to small and medium scale applications. This critical review describes the ongoing material challenges encompassing suspension-based systems. The research described here combines classical aspects of electrochemistry, colloidal science, material science, fluid mechanics, and rheology to describe ion and charge percolation, adsorption of ions, and redox charge storage processes in suspension electrodes. This review summarizes the growing inventory of material systems, methods and practices used to characterize suspension electrodes, and describes universal material system properties (rheological, electrical, and electrochemical) that are pivotal in the design of high performing systems. A discussion of the primary challenges and future research directions is included.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

STS-42/Discovery/IML-1 Admiral Richard Truly Press Briefing

A press briefing is presented by Admiral Richard Truly about the STS-42 Discovery International Microgravity Laboratory-1 (IML). He describes the launch that took place on the morning of January 22, 1992. It was NASA's first launch of 1992 following the Challenger disaster. Life Sciences and materials science microgravity experiments were flown on the STS-42 to study the behavior of materials and living things in microgravity. The briefing ends with a short question and answer period.

Source record↗

DOE OSTI2024

Machine learning in materials research: Developments over the last decade and challenges for the future

The number of studies that apply machine learning (ML) to materials science has been growing at a rate of approximately 1.67 times per year over the past decade. In this review, I examine this growth in various contexts. First, I present an analysis of the most commonly used tools (software, databases, materials science methods, and ML methods) used within papers that apply ML to materials science. The analysis demonstrates that despite the growth of deep learning techniques, the use of classical machine learning is still dominant as a whole. It also demonstrates how new research can effectively build upon past research, particular in the domain of ML models trained on density functional theory calculation data. Next, I present the progression of best scores as a function of time on the matbench materials science benchmark for formation enthalpy prediction. In particular, a dramatic improvement of 7 times reduction in error is obtained when progressing from feature-based methods that use conventional ML (random forest, support vector regression, etc.) to the use of graph neural network techniques. Finally, I provide views on future challenges and opportunities, focusing on data size and complexity, extrapolation, interpretation, access, and relevance.

36 MATERIALS SCIENCE↗

NASA NTRS2000

The Future of New Discoveries on the International Space Station

The Materials Science program is one of the five Microgravity research disciplines in NASA's Human Exploration and Development of Space (HEDS). This research uses the low gravity environment to obtain the fundamental understanding of various phenomena effects and it's relationship to structure, processing, and properties of materials. The International Space Station (ISS) will complete the first major assembly phase within the next year thus providing the opportunity for on-orbit research and scientific utilization in early 2001. Research will become routine as the final Space Station configuration is completed. Accommodations will support a variety of Materials Science payload hardware both in the US and international partner modules. This paper addresses the current scope of the flight investigator program that will utilize the various capabilities on ISS. The type of research and classification of materials that are addressed using multiple types of flight apparatus will be explained. The various flight and ground facilities that are used to support the NASA program are described. The early utilization schedule for the materials science payloads with associated hardware will be covered. The Materials Science Research Facility and related international experiment modules serves as the foundation for this capability. The potential applications and technologies obtained from the Materials Science program are described.

Schlagheck, Ronald↗

DOE OSTI2018

Fusion Materials Research at Oak Ridge National Laboratory in Fiscal Year 2018

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Exascale Co-design for Modeling Materials in Extreme Environments

Computational materials science has provided great insight into the response of materials under extreme conditions that are difficult to probe experimentally. For example, shock-induced plasticity and phase transformation processes in single-crystal and nanocrystalline metals have been widely studied via large-scale molecular dynamics simulations, and many of these predictions are beginning to be tested at advanced 4th generation light sources such as the Advanced Photon Source (APS) and Linac Coherent Light Source (LCLS). I will describe our simulation predictions and their recent verification at LCLS, outstanding challenges in modeling the response of materials to extreme mechanical and radiation environments, and our efforts to tackle these as part of the multi-institutional, multi-disciplinary Exascale Co-design Center for Materials in Extreme Environments (ExMatEx). ExMatEx has initiated an early and deep collaboration between domain (computational materials) scientists, applied mathematicians, computer scientists, and hardware architects, in order to establish the relationships between algorithms, software stacks, and architectures needed to enable exascale-ready materials science application codes within the next decade. We anticipate that we will be able to exploit hierarchical, heterogeneous architectures to achieve more realistic large-scale simulations with adaptive physics refinement, and are using tractable application scale-bridging proxy application testbeds to assess new approaches and requirements. Such current scale-bridging strategies accumulate (or recompute) a distributed response database from fine-scale calculations, in a top-down rather than bottom-up multiscale approach.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Materials for Small Nuclear Reactors and Micro Reactors, Including Space Reactors

Small nuclear reactors, including small modular reactors (SMRs) or reactors for space applications, rely on different materials than those typically applied in large-scale nuclear power plants. Examples include molten salts as cooling medium or fuel carrier, metal hydrides as high-temperature moderators, and fuels allowing for higher burnup. All of these also require novel structural materials, for which material interactions have to be understood. Fissionable and fissile materials, such as uranium or plutonium, are rarely considered in materials design other than for nuclear fuels. Similarly, the aspects of radiation damage, occurring during irradiation when a reactor operates, are unique to nuclear materials research. The handling of these materials puts further limitations on the materials science conducted for nuclear materials. All of these issues move research for these materials off the “main stream” of materials science, and cause it to be more easily conducted at national laboratories. However, nuclear reactors offer unique opportunities for carbon-neutral energy generation and have great potential to address if not solve problems arising from global warming. This special topic, sponsored by the TMS Nuclear Materials Committee, focuses on materials research for small nuclear reactors, both experimental and simulation/modeling.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Oxidation induced strain and defects in magnetite crystals

Oxidation of magnetite (Fe 3 O 4 ) has broad implications in geochemistry, environmental science and materials science. Spatially resolving strain fields and defect evolution during oxidation of magnetite provides further insight into its reaction mechanisms. Here we show that the morphology and internal strain distributions within individual nano-sized (~400 nm) magnetite crystals can be visualized using Bragg coherent diffractive imaging (BCDI). Oxidative dissolution in acidic solutions leads to increases in the magnitude and heterogeneity of internal strains. This heterogeneous strain likely results from lattice distortion caused by Fe(II) diffusion that leads to the observed domains of increasing compressive and tensile strains. In contrast, strain evolution is less pronounced during magnetite oxidation at elevated temperature in air. Furthermore, these results demonstrate that oxidative dissolution of magnetite can induce a rich array of strain and defect structures, which could be an important factor that contributes to the high reactivity observed on magnetite particles in aqueous environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Engineering quantum-coherent defects: The role of substrate miscut in chemical vapor deposition diamond growth

The engineering of defects in diamond, particularly nitrogen-vacancy (NV) centers, is important for many applications in quantum science. A materials science approach based on chemical vapor deposition (CVD) growth of diamond and in situ nitrogen doping is a promising path toward tuning and optimizing the desired properties of the embedded defects. Herein, with the coherence of the embedded defects in mind, we explore the effects of substrate miscut on the diamond growth rate, nitrogen density, and hillock defect density, and we report an optimal angle range for the purposes of engineering coherent ensembles of NV centers in diamond according to our growth parameters. We provide a model that quantitatively describes hillock nucleation in the step-flow regime of CVD growth, shedding insight on the physics of hillock formation. We also report significantly enhanced incorporation of nitrogen at hillock defects, opening the possibility for templating hillock-defect-localized NV center ensembles for quantum applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗