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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Perspectives on multiscale modelling and experiments to accelerate materials development for fusion

Prediction of material performance in fusion reactor environments relies on computational modelling, and will continue to do so until the first generation of fusion power plants come on line and allow long-term behaviour to be observed. In the meantime, the modelling is supported by experiments that attempt to replicate some aspects of the eventual operational conditions. In 2019, a group of leading experts met under the umbrella of the IEA to discuss the current position and ongoing challenges in modelling of fusion materials and how advanced experimental characterisation is aiding model improvement. This review draws from the discussions held during that workshop. Topics covering modelling of irradiation-induced defect production and fundamental properties, gas behaviour, clustering and segregation, defect evolution and interactions are discussed, as well as new and novel multiscale simulation approaches, and the latest efforts to link modelling to experiments through advanced observation and characterisation techniques.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Borophene as a prototype for synthetic 2D materials development

The synthesis of 2D materials with no analogous bulk layered allotropes promises a substantial breadth of physical and chemical properties through the diverse structural options afforded by substrate-dependent epitaxy. However, despite the joint theoretical and experimental efforts to guide materials discovery, successful demonstrations of synthetic 2D materials have been rare. The recent synthesis of 2D boron polymorphs (that is, borophene) provides a notable example of such success. In this Perspective, we discuss recent progress and future opportunities for borophene research. Borophene combines unique mechanical properties with anisotropic metallicity, which complements the canon of conventional 2D materials. The multi-centre characteristics of boron-boron bonding lead to the formation of configurationally varied, vacancy-mediated structural motifs, providing unprecedented diversity in a mono-elemental 2D system with potential for electronic applications, chemical functionalization, materials synthesis and complex heterostructures. As a result, with its foundations in computationally guided synthesis, borophene can serve as a prototype for ongoing efforts to discover and exploit synthetic 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Proposal of a Novel Approach to Developing Material Models for Micro-scale Composites Based on Testing and Modeling of Macro-scale Composites

The Los Alamos National Laboratory's Weapon Systems Engineering division's Advanced Engineering Analysis group employs material constitutive models of composites for use in simulations of components and assemblies of interest. Experimental characterization, modeling and prediction of the macro-scale (i.e. continuum) behaviors of these composite materials is generally difficult because they exhibit nonlinear behaviors on the meso- (e.g. micro-) and macro-scales. Furthermore, it can be difficult to measure and model the mechanical responses of the individual constituents and constituent interactions in the composites of interest. Current efforts to model such composite materials rely on semi-empirical models in which meso-scale properties are inferred from continuum level testing and modeling. The proposed approach involves removing the difficulties of interrogating and characterizing micro-scale behaviors by scaling-up the problem to work with macro-scale composites, with the intention of developing testing and modeling capabilities that will be applicable to the mesoscale. This approach assumes that the physical mechanisms governing the responses of the composites on the meso-scale are reproducible on the macro-scale. Working on the macro-scale simplifies the quantification of composite constituents and constituent interactions so that efforts can be focused on developing material models and the testing techniques needed for calibration and validation. Other benefits to working with macro-scale composites include the ability to engineer and manufacture—potentially using additive manufacturing techniques—composites that will support the application of advanced measurement techniques such as digital volume correlation and three-dimensional computed tomography imaging, which would aid in observing and quantifying complex behaviors that are exhibited in the macro-scale composites of interest. Ultimately, the goal of this new approach is to develop a meso-scale composite modeling framework, applicable to many composite materials, and the corresponding macroscale testing and test data interrogation techniques to support model calibration.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Process Parameter Evaluation and Optimization for Advanced Material Development Final Report CRADA No. TC-1234-96

This project was established as a three-year collaboration to produce and characterize · silica aerogels prepared by a Rapid Supercritical Extraction (RSCE) process to meet . BNA, Inc. application requirements. The objectives of this project were to study the parameters necessary to produce optimized aerogel parts with narrowly specified properties and establish the range and limits of the process for producing such aerogels. The project also included development of new aerogel materials useful for high temperature applications. The results of the project were expected to set the conditions necessary to produce quantities of aerogels having particular specifications such as size, shape, density, and mechanical strength. BNA, Inc. terminated the project on April 7, 1999, 10-months prior to the anticipated completion date, due to termination of corporate funding for the project. The technical accomplishments achieved are outlined in Paragraph C below.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Development of an immersion fiber optic Raman probe for real-time analysis of molten materials

This study presents an advancement in high-temperature Raman spectroscopy, specifically for analyzing molten materials. It introduces an approach by integrating a fiber-optic Raman probe with a copper block protection system designed to endure extreme thermal conditions. The copper block features an open port designed to accommodate an external telescope with a 3 cm focal length, enabling Raman spectra collection in challenging high-temperature environments. A built-in gas channel ensures a continuous flow of argon gas to prevent flux intrusion. The robust copper block acts as a reliable shield, safeguarding the fiber-optic Raman probe within molten materials. This enhancement maintains the probe's integrity and significantly improves its resilience, making it ideal for rigorous investigations of molten substances. This advancement is particularly relevant in metallurgy, where flux materials impact production quality and efficiency. The ability to acquire Raman signals under elevated thermal conditions offers opportunities for studying molecular dynamics, compositional changes, and chemical interactions within molten substances. This introduced direct immersion probing technique has implications, benefiting both scientific and industrial fields. It holds promise for advancing research and exploration in various contexts, from fundamental scientific inquiries to practical applications in metallurgical processes, where flux materials are critical for optimizing production quality and efficiency. Furthermore, this approach enhances the capabilities of high-temperature Raman spectroscopy, making it a valuable tool for investigating molten materials and their properties in diverse settings.

Argon↗
DOE OSTI2023

Accelerating Quantum Materials Development with Advances in Transmission Electron Microscopy

Quantum materials are driving a technology revolution in sensing, communication, and computing, while simultaneously testing many core theories of the past century. Materials such as topological insulators, complex oxides, superconductors, quantum dots, color center-hosting semiconductors, and other types of strongly correlated materials can exhibit exotic properties such as edge conductivity, multiferroicity, magnetoresistance, superconductivity, single photon emission, and optical-spin locking. These emergent properties arise and depend strongly on the material’s detailed atomic-scale structure, including atomic defects, dopants, and lattice stacking. In this review, we describe how progress in the field of electron microscopy (EM), including in situ and in operando EM, can accelerate advances in quantum materials and quantum excitations. We begin by describing fundamental EM principles and operation modes. We then discuss various EM methods such as (i) EM spectroscopies, including electron energy loss spectroscopy (EELS), cathodoluminescence (CL), and electron energy gain spectroscopy (EEGS); (ii) four-dimensional scanning transmission electron microscopy (4D-STEM); (iii) dynamic and ultrafast EM (UEM); (iv) complementary ultrafast spectroscopies (UED, XFEL); and (v) atomic electron tomography (AET). We describe how these methods could inform structure–function relations in quantum materials down to the picometer scale and femtosecond time resolution, and how they enable precision positioning of atomic defects and high-resolution manipulation of quantum materials. For each method, we also describe existing limitations to solve open quantum mechanical questions, and how they might be addressed to accelerate progress. Among numerous notable results, our review highlights how EM is enabling identification of the 3D structure of quantum defects; measuring reversible and metastable dynamics of quantum excitations; mapping exciton states and single photon emission; measuring nanoscale thermal transport and coupled excitation dynamics; and measuring the internal electric field and charge density distribution of quantum heterointerfaces- all at the quantum materials’ intrinsic atomic and near atomic-length scale. Finally, we conclude by describing open challenges for the future, including achieving stable sample holders for ultralow temperature (below 10K) atomic-scale spatial resolution, stable spectrometers that enable meV energy resolution, and high-resolution, dynamic mapping of magnetic and spin fields. With atomic manipulation and ultrafast characterization enabled by EM, quantum materials will be poised to integrate into many of the sustainable and energy-efficient technologies needed for the 21st century.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

1D and 2D Assembly of Plant Viruses for Materials Development

The research focused on the development of novel bionanoparticle (BNP)-based materials, especially the assembly of chemically and genetically-tailored BNP at the interface between immiscible fluids. The chemical, physical, dynamical and mechanistic aspects have been studied in this research. In particular, rod-like tobacco mosaic virus (TMV) based anisotropic nanorods were synthesized via RNA or polymer assisted assembling process. Such kind of TMV-rods offers an ideal model system for the mechanistic study of orienting and packing anisotropic nanoparticles, which may have great potential in the applications of photovoltaic and field emission devices. Specific objectives include: 1) Synthesize BNPs with controlled functionality at defined positions; 2) synthesize 1D nanorods with defined length via polymer or RNA assisted assembly of TMV or TMV coat proteins; 3) self-assemble and crosslink BNPs and TMV-nanorods at liquid-liquid interfaces; 4) quantitatively characterize the structural organization of the 1D and 2D BNP-assemblies using both small angle neutron scattering and synchrotron small angle X-ray scattering; and 5) develop methods to apply grazing incidence small angle X-ray/neutron scattering to investigate the assemblies of BNPs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Review of SiC material development for nuclear fusion applications: Cross-cutting research and emerging opportunities

The SiC-based materials, particularly SiC-fiber-reinforced SiC matrix (SiC/SiC) composites, show strong potential for structural and functional applications in future fusion power plants because they can operate at high temperatures with a range of coolants and breeders, thereby enabling higher energy conversion efficiency. Here, this paper presents recent advancements in the development of SiC-based materials, focusing on processing techniques and material performance and resistance under fusion-relevant environments. The processing activities have emphasized near-net-shape fabrication and the joining of SiC subcomponents, with processing methods and material compositions informed by previous irradiation experiments on various grades of SiC. Research on irradiation effects has remained focused on degradation mechanisms and the microstructural optimization of SiC/SiC composites irradiated to high neutron damage levels. Analysis of irradiation defects in SiC has advanced via the application of cutting-edge characterization methods, among which Raman spectroscopy is becoming a common tool to assess atomic-scale chemical disorder. Fusion–fission crosscutting irradiation research has explored combined effects in SiC/SiC composites with application-relevant geometries, including bowing of SiC/SiC composite channels under neutron flux gradients, stress evolution in SiC/SiC composite tubes under through-thickness temperature gradients, and irradiation-enhanced corrosion in SiC. Finally, research opportunities for component testing and assessment under fusion-relevant conditions, in support of emerging concepts from the private fusion sector, are discussed.

Advanced manufacturing↗
DOE OSTI2013

Adsorbent materials development and testing for the extraction of uranium from seawater

The extraction of uranium from seawater has been the focus of a research project for the U.S. Department of Energy to develop amidoxime functional group adsorbents using radiation-induced graphing on polymer-based fiber materials and subsequent chemical conversion of the radical sites to form the desired adsorbent material. Materials with promising uranium adsorption capacities were prepared through a series of parametric studies on radiation dose, time, temperature, graphing solutions, and properties of the base polymer materials. A laboratory screening protocol was developed to determine the uranium adsorption capacity to identify the most promising candidate materials for seawater testing. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

AlN Base Material Development for High Temperature Application [Poster]

Polar wurtzite AlN-based alloy materials have exceptional optoelectronic and charge transport properties (e.g., Al1-xGaxN in LEDs and Al1-xScxN as a promising new ferroelectric1). Other cation substitutions include Ta 3+ , Cr 3+ , Er 3+ , Yb 3+ , and small amounts of Gd 3+ , 2-6 but ionic size effects are a serious issue, and other variables affecting solubility are underexplored in this family, hampering development of new functional AlN-based alloys.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Eco-Friendly High-Performance Carbon Building Material Development from Coal

The development of eco-friendly high-performance building materials based on coal-derived materials is greatly beneficial for promoting environmental sustainability and the coal industry. This project focused on advancing technology to create innovative and scalable construction materials from two domestic sources: (1) coal-derived pyrolyzed char (PC), and (2) solvent-extracted coal deposit, extracts, and residue (CDER). It aimed to simultaneously develop and produce two types of coal-derived building products: (1) char-based concrete bricks (CCB) for wall construction in buildings, and (2) carbon-based structural units (CSU) intended as alternatives to traditional wood, concrete, or steel framing structures. The project team has successfully developed methods for manufacturing CCB samples. Extensive experiments were conducted to assess various manufacturing techniques for these samples. This included measuring their physical properties such as thermal conductivity (ranging from 0.26 to 0.38 W/mK) and bulk density (ranging from 0.85 to 1.15 g/cm 3 ), along with their mechanical properties (e.g., compressive strength ranging from 14 to 16 MPa at 28 days) for samples with a PC composition of 70%. Quality assurance and quality control tests, focusing on density and compressive strength, were also performed on samples selected randomly from pilot-scale production, and cured for a long term (over three months). The average long-term compressive strength of two randomly selected CCB samples was measured as 15.1 MPa, which was higher than the required target strength of 14 MPa. This indicates that the manufactured CCB samples from the preliminary pilot scale production run have good quality control and long-term strength performance.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Solid State Ionics: Materials Development by Multiscale Modeling and Advanced Manufacturing Techniques

Solid-state ionic materials are an important enabling technology for energy conversion and storage. Solid-state batteries would be a safer and higher energy density alternative to commercially available lithium ion batteries (LIB), however their implementation requires ion conduction in solids at room temperature to occur on the same level as the current generation of liquid electrolytes. Microstructural modifications have been demonstrated to play a major role on ion transport through the control of grain boundary interfaces, which traditionally serve as “blocking” layers. Ultimately, these materials will be fabricated in thin films form as electrolytes in order to minimize ohmic losses in electrochemical devices. This work uses advanced manufacturing techniques in combination with theoretical modeling to implement a science-based approach in the deposition of thin films ion conductors with controlled microstructures used in ceramic energy conversion and storage devices.

25 ENERGY STORAGE↗
DOE OSTI2018

Metal Hydride Material Development for High Efficiency and Low Cost Hydrogen Compressors

To make the hydrogen economy realistic at a large scale, one of the main technical issues to be overcome is relative to the high-pressure hydrogen delivery. Traditional hydrogen compressors suffer from high operating and maintenance costs and high capital investment. Metal hydride based compressors represent a realistic alternative that can potentially overcome all of the technical hurdles of the traditional mechanical systems. However, to date, the metal hydrides, available for this type of application (e.g. rare earth based materials), are generally based on expensive compounds and elements. A novel materials-genome based high throughput technique was established to define and develop a new class of materials for hydrogen compression. Specific material properties, required to meet the techno-economic targets for hydrogen compression systems, were identified. After validation of the high throughput methodology by comparing the results with the available material data, the technique was applied to identify preliminary new material formulations that meet the targets. A novel techno-economic analysis constrained machine learning system was developed and applied to identify the new set of metal hydride materials.

08 HYDROGEN↗
DOE OSTI2024

Developing Materials for High-Energy-Density Solid State Li-S Batteries

Solid-state lithium-sulfur batteries are considered to be the next-generation power source for vehicle applications due to their high energy density (up to 3 times more than current Li-ion) and low cost of sulfur (100 times less than conventional cobalt oxide). However, issues with solid-state electrolyte stability, conduction pathways in the sulfur cathode, and the interface between solid-state electrolyte and sulfur cathode must be solved in order to allow commercialization. This project demonstrates the creation of new, advanced materials which overcome these inherent issues. Current approaches based on polymer or liquid electrolyte with additives have been able to improve stability at the cost of efficiency. In contrast, by creating new hybrid materials it is possible to achieve both stability and efficiency. We developed a novel sulfide-based solid electrolyte, a sulfur-carbon composite cathode, and explored various additives to stabilize the interface of solid electrolyte and cathode. After the desired properties were achieved, these materials were integrated into a high-performance solid-state battery, bringing low-cost high-energy solid-state lithium-sulfur batteries one step closer to reality.

25 ENERGY STORAGE↗
DOE OSTI2019

Review of Cementitious Materials Development and Applications That Have Supported DOE-EM Missions: Waste Treatment, Conditioning, Containment Structures, Tank Closures, Facility Decommissioning, Environmental Restoration, and Structural Assessments

The Department of Energy (DOE) is tasked with managing the legacy defense wastes that resulted from nuclear materials production and nuclear arms development. Nuclear-waste management encompasses generation, processing (treatment and packaging), storage, transport, and disposal. To date, there are over 100 million gallons of liquid radioactive and chemical mixed wastes within the Department of Energy complex as well as solid waste, debris, and environmental restoration media that require disposal. DOE has been able to meet the challenges involved in dispositioning this waste using unique technical approaches and application-specific data required due to the nature of the constituents to be managed (e.g., long-lived radionuclides and highly mobile radionuclides in the near surface environments). Cementitious materials have played a prominent role historically in the successful disposition of these wastes, in the reduction of risk to the public, and in the closure of decommissioned tanks and facilities across the DOE complex.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Theoretical and Computational Studies of Rare Earth Substitutes: A Test-bed for Accelerated Materials Development

Hard permanent magnets in wide use typically involve expensive Rare Earth elements. In this effort, we investigated candidate permanent magnet materials which contain no Rare Earths, while simultaneously exploring improvements in theoretical methodology which enable the better prediction of magnetic properties relevant for the future design and optimization of permanent magnets. This included a detailed study of magnetocrystalline anisotropy energies, and the use of advanced simulation tools to better describe magnetic properties at elevated temperatures.

36 MATERIALS SCIENCE↗