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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Nonstoichiometric Laser Materials: Designer Wavelengths in Neodymium Doped Garnets

The tunable nature of lasers provides for a wide range of applications. Most applications rely on finding available laser wavelengths to meet the needs of the research. This article presents the concept of compositional tuning, whereby the laser wavelength is designed by exploiting nonstoichiometry. For research where precise wavelengths are required, such as remote sensing, this is highly advantageous. A theoretical basis for the concept is presented and experimental results in spectroscopic measurements support the theoretical basis. Laser operation nicely demonstrates the validity of the concept of designer lasers.

Walsh, Brian M.↗
DOE OSTI2022

Machine-learning for designing nanoarchitectured materials by dealloying

Machine learning-augmented materials design is an emerging method for rapidly developing new materials. It is especially useful for designing new nanoarchitectured materials, whose design parameter space is often large and complex. Metal-agent dealloying, a materials design method for fabricating nanoporous or nanocomposite from a wide range of elements, has attracted significant interest. Here, a machine learning approach is introduced to explore metal-agent dealloying, leading to the prediction of 132 plausible ternary dealloying systems. A machine learning-augmented framework is tested, including predicting dealloying systems and characterizing combinatorial thin films via automated and autonomous machine learning-driven synchrotron techniques. This work demonstrates the potential to utilize machine learning-augmented methods for creating nanoarchitectured thin films.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Technology update: Tethered aerostat structural design and material developments

Requirements exist for an extremely stable, high performance, all-weather tethered aerostat system. This requirement has been satisfied by a 250,000 cubic foot captive buoyant vehicle as demonstrated by over a year of successful field operations. This achievement required significant advancements in several technology areas including composite materials design, aerostatics and aerodynamics, structural design, electro-mechanical design, vehicle fabrication and mooring operations. This paper specifically addresses the materials and structural design aspects of pressurized buoyant vehicles as related to the general class of Lighter Than Air vehicles.

Witherow, R. G.↗
NASA NTRS1974

The synergistic effects of slip ring-brush design and materials

The design, fabrication, and subsequent testing of four power slip rings for synchronous orbit application are described. The synergistic effects of contact materials and slip ring-brush design are studied by means of frequent and simultaneous recording of friction, wear, and electrical noise. Data generated during the test period are presented along with post test analysis data.

Lewis, N. E.↗
DOE OSTI2024

Virtual node graph neural network for full phonon prediction

Understanding the structure-property relationship is crucial for designing materials with desired properties. The past few years have witnessed remarkable progress in machine-learning methods for this connection. However, substantial challenges remain, including the generalizability of models and prediction of properties with materials-dependent output dimensions. Here we present the virtual node graph neural network to address the challenges. By developing three virtual node approaches, we achieve Γ-phonon spectra and full phonon dispersion prediction from atomic coordinates. We show that, compared with the machine-learning interatomic potentials, our approach achieves orders-of-magnitude-higher efficiency with comparable to better accuracy. This allows us to generate databases for Γ-phonon containing over 146,000 materials and phonon band structures of zeolites. Additionally, our work provides an avenue for rapid and high-quality prediction of phonon band structures enabling materials design with desired phonon properties. The virtual node method also provides a generic method for machine-learning design with a high level of flexibility. In this study, the authors present a virtual node graph neural network to enable the prediction of material properties with variable output dimensions. This method offers fast and accurate predictions of phonon band structures in complex solids.

36 MATERIALS SCIENCE↗
NASA NTRS2017

Design of Multifunctional Materials: Chalcogenides and Chalcopyrites

There is a strong need for developing multifunctional materials to reduce the cost of applied material without compromising the performance of the detectors, devices and sensors. The materials design, processing, growth and fabrication of bulk and nanocrystals and fabrication into devices and sensors involve huge cost and resources including a multidisciplinary team of experts. Because of this reason, prediction of multifunctionality of materials before design and development should be evaluated. Chalcogenides and chalcopyrites are a very exciting class of materials for developing multifunctionality. Materials such as Gallium selenide GaSe and zinc selenide ZnSe have been proven to be excellent examples. GaSe is a layered material and very difficult to grow in large crystal. However, it's ternary and quaternary analogs such as thallium gallium selenide TlGaSe2, thallium gallium selenide sulfide TlGaSe2-xSs, thallium arsenic selenide Tl3AsSe3, silver gallium selenide AgGaGe3Se8, AgGaGe5Se12 and several others have shown great promise for multifunctionality. Several of these materials have shown good efficiency for frequency conversion (nonlinear optical NLO), electro-optic modulation, and acousto-optic tunable filters and imagers suitable for the visible, near-infrared wavelength, mid wave infrared (MWIR), long wave infrared (LWIR) and even up to Tera hertz wavelength (THW) regions. In addition, this class of materials have demonstrated low absorption coefficients and power handling capability in the systems. Also, these crystals do not require post growth annealing, show very large transparency range and fabricability.

Singh, N. B.↗
NASA NTRS1972

The synergistic effects of slip ring-brush design and materials

The design, fabrication, and testing of four power slip rings for synchronous orbit application are considered. Environmental and instrumentation systems necessary for monitoring electrical noise, friction, and brush wear in air and at less than 5 X 10 to the minus 8th power torr were developed. Composite brushes consisting of silver-molybdenum disulfide-graphite and silver-niobium diselenide-graphite were employed on rings of coin silver and rhodium plate. These four contact combinations were tested during ambient condition run-in at 150 and a humidity sequence at 0.1. The first nine months of a two year vacuum test performed at 0.1 rpm were completed.

Lewis, N. E.↗
NASA NTRS1978

An educational program on structural design with brittle /ceramic/ materials

The organization of a proposed ceramic structural materials program is described, and a suggested course sequence for college-level and graduate-level courses is presented. The course work on ceramics and brittle fracture are intended to lead to a brittle material design project and a brittle material design problem. Criteria for the selection of appropriate projects/problems are considered.

Mueller, J. I.↗
DOE OSTI2023

How to Decarbonize Our Energy Systems: Process‐Informed Design of New Materials for Carbon Capture

Decarbonisation from a variety of industrial and power emission sectors highlights a marked need for capture technologies that can be optimized for different CO 2 sources and integrated into an equally diverse range of applications of captured CO 2 as a feedstock. Some capture technologies are already operated at an industrial scale but may not be optimal for all required applications. Advanced tailored sorbent-based technologies allow flexible operation and reduced costs as they offer higher capture capacities and significantly lower energy penalties than the state-of-the-art systems. To accelerate the discovery, development, and deployment of novel advanced materials, it is critically important that efforts between experimentalists, theoreticians, and process engineers are coordinated. The PrISMa project addresses this challenge by integrating materials design with process design and environmental considerations to allow for tailor-making carbon capture solutions optimally tuned for local sources and sinks. In this article, we highlight some of the recent results obtained with the PrISMa platform.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Physically constrained 3D diffusion for inverse design of fiber-reinforced polymer composite materials

Designing fiber-reinforced polymer composites (FRPCs) with a tailored nonlinear stress-strain response is crucial for applications such as energy absorption in crash structures, flexible robotics, and impact-resistant protective gear. However, the inherent complexities of composite materials and the multitude of parameters involved, render traditional design and optimization methods inadequate for achieving effective inverse design of composites. In this paper, we present an AI-based inverse design framework that effectively and efficiently generates FRPCs with targeted nonlinear stress-strain responses. We introduce a physically constrained diffusion model (PC3D_Diffusion) capable of managing the complexities of composite materials and producing detailed, high-quality designs. We propose a loss-guided, learning-free approach to generate physically feasible microstructure designs by explicitly enforcing physical constraints during the generation process. For training purposes, 1.35 million FRPC samples were created, and their corresponding stress-strain curves were computed using established physics-based computational models. The results show that PC3D_Diffusion consistently generates high-quality designs with tailored mechanical behaviors, while guaranteeing compliance with the physical constraints. PC3D_Diffusion advances FRPC inverse design and may facilitate the inverse design of other 3D materials, offering potential applications in industries reliant on materials with custom mechanical properties.

Xu, Pei [Clemson Univ., SC (United States)]↗