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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 469 records · Page 26

Finding the perfect imperfection: Accelerated, computationally driven discovery and design of quantum defects

Optically addressable spin defects have emerged as the leading platforms for quantum sensing and communication in solid-state systems. While traditional efforts have concentrated on a focused set of well-studied defects, recent advances in high-throughput computational methods have shown promise for large-scale exploration of defects across diverse semiconductor hosts. By cataloging key properties of quantum defects in computational databases, high-throughput screening techniques can systematically suggest and design novel candidates. In this article, we highlight recent advances in data-driven quantum defect design aimed at addressing critical materials science challenges such as host materials selection, defect stability, and desirable electronic and optical properties. Here, we emphasize the importance of electronic-structure-guided searches across various materials and illustrate how high-throughput computations contribute to our understanding of design principles for quantum defects. Additionally, we outline ongoing challenges and emerging opportunities in this rapidly developing field.

Xiong, Yihuang [Dartmouth College, Hanover, NH (Un↗

Concept Verification Test - Evaluation of Spacelab/Payload operation concepts

The Concept Verification Test (CVT) procedure is used to study Spacelab operational concepts by conducting mission simulations in a General Purpose Laboratory (GPL) which represents a possible design of Spacelab. In conjunction with the laboratory a Mission Development Simulator, a Data Management System Simulator, a Spacelab Simulator, and Shuttle Interface Simulator have been designed. (The Spacelab Simulator is more functionally and physically representative of the Spacelab than the GPL.) Four simulations of Spacelab mission experimentation were performed, two involving several scientific disciplines, one involving life sciences, and the last involving material sciences. The purpose of the CVT project is to support the pre-design and development of payload carriers and payloads, and to coordinate hardware, software, and operational concepts of different developers and users.

Mcbrayer, R. O.↗

Technology 2000, volume 1

The purpose of the conference was to increase awareness of existing NASA developed technologies that are available for immediate use in the development of new products and processes, and to lay the groundwork for the effective utilization of emerging technologies. There were sessions on the following: Computer technology and software engineering; Human factors engineering and life sciences; Information and data management; Material sciences; Manufacturing and fabrication technology; Power, energy, and control systems; Robotics; Sensors and measurement technology; Artificial intelligence; Environmental technology; Optics and communications; and Superconductivity.

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NASA Microgravity Science and Applications Program

Key elements of the microgravity research program as conducted by the Microgravity Science and Applications Division (MSAD) within the Office of Space Science and Applications (OSSA) during fiscal year (FY) 1992 are described. This NASA funded program supported investigators from the university, industry, and government research communities. The program's goals, the approach taken to achieve those goals, and the resources that were available are summarized. It provides a 'snapshot' of the Program's status at the end of FY 1992 and reviews highlights and progress in the ground and flight-based research during the year. It also describes four major space missions that flew during FY 1992, the advanced technology development (ATD) activities, and the plans to use the research potential of Space Station Freedom and other advanced carriers. The MSAD program structure encompassed five research areas: (1) Biotechnology, (2) Combustion Science, (3) Fluid Physics, (4) Materials Science, and (5) Benchmark Physics.

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NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

The NASA-UVA Light Aerospace Alloy and Structures Technology (LA2ST) Program was initiated in 1986 and continues with a high level of activity. The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites and thermal gradient structures in collaboration with NASA-Langley researchers. Specific technical objectives are presented for each research project. We generally aim to produce relevant data and basic understanding of material mechanical response, environmental/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and a pool of educated graduate students for aerospace technologies. Three research areas are being actively investigated, including: (1) Mechanical and environmental degradation mechanisms in advanced light metals, (2) Aerospace materials science, and (3) Mechanics of materials for light aerospace structures.

Scully, John R.↗

NASA-UVA light aerospace alloy and structures technology program (LA2ST)

This progress report covers achievements made between January 1 and June 30, 1966 on the NASA-UVA Light Aerospace Alloy and Structures Technology (LA2ST) Program. The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites and thermal gradient structures in collaboration with NASA-Langley researchers. Specific technical objectives are presented for each research project. . The accomplishments presented in this report are: (1) Mechanical and Environmental Degradation Mechanisms in Advanced Light Metals, (2) Aerospace Materials Science, and (3) Mechanics of Materials for Light Aerospace Structures. Collective accomplishments between January and June of 1996 include: 4 journal or proceedings publications, 1 NASA progress report, 4 presentations at national technical meetings, and 2 PhD dissertations published.

Gangloff, Richard P.↗

NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

The NASA-UVA Light Aerospace Alloy and Structures Technology (LA2ST) Program was initiated in 1986 and continues with a high level of activity. Here, we report on progress achieved between July I and December 31, 1996. The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites and thermal gradient structures in collaboration with NASA-Langley researchers. Specific technical objectives are presented for each research project. We generally aim to produce relevant data and basic understanding of material mechanical response, environmental/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and a pool of educated graduate students for aerospace technologies. The accomplishments presented in this report are summarized as follows. Three research areas are being actively investigated, including: (1) Mechanical and Environmental Degradation Mechanisms in Advanced Light Metals, (2) Aerospace Materials Science, and (3) Mechanics of Materials for Light Aerospace Structures.

Gangloff, Richard P.↗

Microgravity: A Teacher's Guide With Activities in Science, Mathematics, and Technology

The purpose of this curriculum supplement guide is to define and explain microgravity and show how microgravity can help us learn about the phenomena of our world. The front section of the guide is designed to provide teachers of science, mathematics, and technology at many levels with a foundation in microgravity science and applications. It begins with background information for the teacher on what microgravity is and how it is created. This is followed with information on the domains of microgravity science research; biotechnology, combustion science, fluid physics, fundamental physics, materials science, and microgravity research geared toward exploration. The background section concludes with a history of microgravity research and the expectations microgravity scientists have for research on the International Space Station. Finally, the guide concludes with a suggested reading list, NASA educational resources including electronic resources, and an evaluation questionnaire.

Rogers, Melissa J. B.↗

Science Capabilities of the Common Habitat

The Common Habitat is the primary habitable element in a conceptual architecture feasibility study for long-duration space exploration with an eight-person crew size. On lunar or planetary surfaces, the Common Habitat forms the core of a Surface Base Camp. In microgravity, the Common Habitat is the core of the Deep Space Exploration Vehicle (DSEV), an in-space transportation spacecraft. The Common Habitat employs a horizontal orientation that is divided internally into a lower deck, mid deck, and upper deck, roughly separating outfitting into individual, work, and group functions. On a planetary surface, the habitat is incorporated into a base camp, located near the south pole in the case of the Moon. The Mars base camp is currently location agnostic. Each base camp is divided into habitation, landing, resource production, and power zones. In microgravity, the habitat is incorporated into the Deep Space Exploration Vehicle, a vessel capable of transporting the crew within the inner solar system. In addition to crew and teleoperated control of external science assets, the Common Habitat employs a suite of life and physical science laboratory systems to enable it to support science investigations across a variety of destination environments, primarily featuring the Moon and Mars, along with the intervening interplanetary space. Other potential destinations include Near Earth Asteroids and Venus and Earth orbits. Located in the aft starboard section of the Common Habitat mid deck, the life science laboratory supports primarily biology and human research. In its baseline configuration, the laboratory includes horizontal work surfaces, freezers, multiple gloveboxes, sample transfer/exposure capability, large instruments, and reconfigurable ISPR-compatible payload bays. The Medical Care Facility and exercise facility can also support life science research. In the aft port section of the mid deck, the physical science laboratory supports physics, chemistry, materials science, geology, and remote sensing (including astrophysics, heliophysics, Earth science, planetary science, and meteorology). It provides a baseline of similar ISPR-compatible payload bays and adds additional freezers, including those for cryogenic sample storage, a remote sensing workstation, more gloveboxes, also with sample transfer/exposure, combustion chambers, fluid mechanics chambers, and a gas chromatograph. It leverages the Command & Control Center for teleoperations of mobile science assets. Both laboratories are highly modular, with the ability to swap out both payloads and instruments on an as-needed basis. The integrated science outfitting of the Common Habitat positions its crew to contribute to all of NASA’s Moon to Mars science objectives and extend human understanding into the inner solar system.

Lunar Suface↗

Synthesis of cerium precursors with alkoxide ligands for degradation to cerium oxide nanoparticles

Lanthanide oxide and sulfide nanoparticles present intriguing theoretical questions regarding their electronic structures, alongside numerous potential applications in material science and catalysis. Although these materials can be formed through hydrolysis, their synthesis via thermolysis is crucial for nanoscale materials and practical applications. This research aims to enhance our understanding of the decomposition mechanisms by focusing on cerium compounds, which are analogous to those studied previously. Currently, our knowledge of the decomposition mechanisms of cerium alkoxide precursors is limited. The objective of this project is to develop a mechanistic understanding of the formation of cerium oxide nanoparticles from cerium alkoxide precursors, employing a variety of techniques. These techniques include collision-induced dissociation in an ion-trap mass spectrometer, nuclear magnetic resonance (NMR) spectroscopy, thermogravimetric analysis coupled with differential scanning calorimetry (TGA-DSC), and gas chromatography-mass spectrometry (GC-MS) to investigate the decomposition mechanisms of the synthesized precursors.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

Designing complex concentrated alloys with quantum machine learning and language modeling

Designing novel complex concentrated alloys (CCAs) is an essential topic in materials science. However, due to the complicated high-dimensional component-property relationship, tuning material properties by researchers’ experience is challenging, even when guided by physical or empirical rules. Here, we adopt quantum computing (QC) technology and machine learning models to provide a proof-of-concept application of QC in physical metallurgy. We propose a quantum support vector machine (QSVM) model to predict single-phase CCAs. We show that fine-tuned quantum kernels with entanglement deliver promising performance, with a maximum accuracy of 89.4%. The QSVM model is then used to identify 1,741 lightweight CCAs jointly with a new text-mining-based method. Meanwhile, we devise a controllable approach to study the effect of noise on model performance and find that the noise level needs to be minimized for high-performance QSVM models. Finally, this study provides a practical and general approach to designing CCAs based on quantum technologies.

36 MATERIALS SCIENCE↗

Fundamental Insights into Cathode Stability: Linking Compositional Tuning and Local Coordination in Complex Metal Oxides under Aqueous Transformations

Compositional tuning of complex metal oxides in Li-ion battery materials influences their performance as well as their end-of-life behavior, in particular, the tendency to release toxic metal cations in aqueous solution. We modeled ternary variants of a parent LiCoO 2 delafossite structure by varying the metal identity and relative amounts. This yielded ten model formulations of Li(A 4/6 B 1/6 C 1/6 )O 2 , where the material is enriched with the A metal and doped with B and C, with Ni, Mn, Co, Fe, Al, V, and Ti as constituent metals. To assess their stability in aqueous conditions, metal release energetics were calculated using a combination of Density Functional Theory calculations and thermodynamics. Metal release in ternary oxides is dictated by subtle variations in the coordination environment of the leaving group. To identify governing chemical features across diverse compositions with varying local coordination environments, we leverage random forest regression and descriptor importance analysis. A key result is that metal–oxygen orbital hybridization, quantified using a projected density-of-states-derived descriptor, H d/p , provides a physically grounded measure of interaction strength that governs metal release energetics. This refined perspective goes beyond conventional oxidation state considerations and offers more robust insights for materials science. Finally, we model defect surface-bound O 2 dimer formation as a proxy for reactive oxygen species (ROS) generation. The results show that Ni-rich compositions more readily stabilize spin-polarized O 2 dimers, corroborating experimental reports of an increased ROS-driven biological response. In conclusion, our results establish a compositional and electronic basis for metal release and surface oxygen reactivity that form a rationale for complex metal oxide design principles.

36 MATERIALS SCIENCE↗

Deep Learning for Spectroscopic X-ray Nano-Imaging Denoising

Synchrotron transmission X-ray microscopy with absorption near edge structure (TXM-XANES) is a powerful tool for investigating the structure and composition of materials at nano- to meso-scales. It is, however, often challenged by high levels of noise that obscure critical details at the single-pixel level. To address this issue, a deep learning-based algorithm is developed for suppressing the image noise, grounded in self-supervised learning principles. In contrast to traditional image denoising methods, this approach successfully enhances the visibility of fine details while significantly reducing the noise in the X-ray images. Through this advancement, the potential of the approach for improving the accuracy and interpretability of the TXM-XANES data is demonstrated, thereby enabling more precise detection of nanoscale phenomena such as inhomogeneous cation redox and metal segregation in battery cathode materials. This technique offers an effective new avenue for harnessing the full potential of synchrotron TXM-XANES imaging, paving the way for a range of exciting new studies in materials science and beyond.

36 MATERIALS SCIENCE↗

Materials

Carbon and graphite, sterilization of impact liners, nonmagnetic material for welded structures, and other materials science studies

WELDED STRUCTURE↗