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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Removal of TcO 4 – from Representative Nuclear Waste Streams with Layered Potassium Metal Sulfide Materials

Many efforts have focused on the sequestration and immobilization of 99Tc because the radionuclide is highly mobile in oxidizing environments and presents serious health risks due to its radiotoxicity and long half-life (t1/2 = 213 000 a). One of the more common methods for Tc removal from solution and immobilization in solids is based on reducing Tc from highly soluble Tc(VII) to sparingly soluble Tc(IV). In order to remove solution Tc through this reduction process, the Tc-sequestering solid must contain a reducing agent and, ideally, the Tc-sequestering material would function in a large range of chemical environments. For long-term stability, the reduced Tc would preferentially be incorporated into the resulting mineral structure instead of simply being sorbed onto the mineral surface. Here, we report results obtained from batch sorption experiments performed in anoxic and oxic conditions with two sulfide-containing potassium metal sulfide (KMS) materials, known as KMS-2 and KMS-2-SS. In deionized water in anoxic conditions after 15 d of contact, KMS-2 is capable of removing ~45% of Tc and KMS-2-SS is capable of removing ~90% of Tc. The improved performance of KMS-2-SS compared to KMS-2 in deionized water in anoxic conditions appears to be linked both to a higher pH resulting from the batch sorption experiments performed with KMS-2-SS and a higher overall purity of KMS-2-SS. Both materials perform even better in highly caustic (pH~13.5), high ionic strength (8.0 M) simulated Hanford low-activity waste solutions, removing more than 90% Tc after 15 d of contact in anoxic conditions. Post-reaction solids analysis indicate that Tc(VII) is reduced to Tc(IV) and that Tc(IV) is bonded to S atoms in the resulting KMS-2 structure in a Tc2S7 form. In contrast to previous ion exchange experiments with other KMS materials, the batch sorption experiments examining Tc removal cause the initially crystalline KMS materials to lose much of their initial long-range order.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2016

Thin-film ferroelectric materials and their applications

Ferroelectric materials, because of their robust spontaneous electrical polarization, are widely used in various applications. Recent advances in modelling, synthesis and characterization techniques are spurring unprecedented advances in the study of these materials. In this Review, we focus on thin-film ferroelectric materials and, in particular, on the possibility of controlling their properties through the application of strain engineering in conventional and unconventional ways. We explore how the study of ferroelectric materials has expanded our understanding of fundamental effects, enabled the discovery of novel phases and physics, and allowed unprecedented control of materials properties. We discuss several exciting possibilities for the development of new devices, including those in electronic, thermal and photovoltaic applications, and transduction sensors and actuators. We conclude with a brief survey of the different directions that the field may expand to over the coming years.

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 OSTI2026

The U.S. Fusion Materials Community Roadmap: Near-term research priorities for the development of plasma-facing and structural materials for fusion power plants

In response to the needs of a rapidly growing private fusion industry, the U.S. Fusion Materials Coordinating Committee (FMCC) and the broader U.S. fusion materials research community undertook an extensive effort to create a comprehensive roadmap for fusion materials development. The result of this effort was the U.S. Fusion Materials Community Roadmap (US-FMCR), which describes the steps needed to advance the technical maturity of leading candidates for plasma-facing materials and structural materials for fusion power plants from laboratory-scale experiments to a point of sufficient technological readiness for industrial adoption and implementation. However, researchers face significant resource constraints as well as very aggressive pilot plant development timelines. Thus, the research strategies detailed in the US-FMCR require further assessment to downselect the specific tasks that must be prioritized within the next two to three years, in order to make the most efficient use of funding, human resources, and experimental facilities. This paper presents an overview of the US-FMCR and its development process. We also present the subset of research objectives that the FMCC identified as the most urgent research priorities for the U.S. fusion materials research community. The state-of-the-art of materials research is also highlighted for each class of materials considered in the US-FMCR. The recommendations presented here integrate an extensive evaluation of the current status of fusion materials research with a broad cross-section of opinion from the wider U.S. fusion community.

Ferry, Sara [Massachusetts Institute of Technology↗
NASA NTRS1990

Quantitative characterization of spatial distribution of particles in materials: Application to materials processing

Most engineering materials contain second phase particles or fibers which serve to reinforce the matrix phase. The effect of reinforcements on material properties is usually analyzed in terms of the average volume fraction and spacing of reinforcements, quantities which are global microstructural characteristics. However, material properties can also depend on local microstructural characteristics; for example, on how uniformly the reinforcing phase is distributed in the material. The analysis method will then be applied to a materials processing problem to discover how processing parameters can be selected to maximize redistribution of the reinforcing phase during processing. Several mathematical analysis methods could be adapted to the problem of characterizing the distribution of particles in materials. A tessellation-based method was selected. In the first phase of the investigation, a software package was written to automate the analysis. Typical results are shown. The analysis technique allows the degree to which particles are clustered together, the size and spacing of particle clusters, and the particle density in clusters to be found. The analysis methods were applied to computer-generated distributions and to a few real particle-containing materials. Methods for analyzing a nonuniform particle distribution in a material can be applied to two broad classes of materials science problems: understanding how the resulting particle distribution affects properties. The analysis method described is applied to a materials processing problem: how to select extrusion conditions to maximize the redistribution of reinforcing particles that are initially nonuniformly distributed. In addition, the tessellation-based method to analyze star distributions in spiral galaxies was adapted, illustrating the diverse types of problems to which the analysis method can be applied.

Parse, J. B.↗
DOE OSTI2019

Structural origins of the electronic properties of materials via time-resolved infrared spectroscopy

Time-resolved mid-infrared (TRIR) spectroscopy offers new opportunities to investigate how the molecular and structural properties of optoelectronic materials influence their electronic and transport states. This capability emerges from the ability to measure low energy electronic transitions in the mid-infrared that are related to delocalized states in materials and to simultaneously detect the vibrational properties of the materials that influence those states. Furthermore, the ability to simultaneously measure electronic and vibrational transitions in materials offers unprecedented opportunities to correlate structural dynamics of materials with their electronic and transport properties. Here, these capabilities are introduced by first describing the basic principles of TRIR spectroscopy used to examine electronic processes in materials. Then, several applications of TRIR spectroscopy are described in which measurements of the vibrational spectra of electronic excited states are probed as a means to correlate the structural properties of materials with the delocalization of their electronic states. In one example, exciton localization mechanisms in organic semiconductors are probed through vibrational spectra of the molecules in their excited states and correlated with their crystalline packing arrangements. Another example highlights the use of TRIR spectroscopy to examine singlet fission reaction dynamics through a combination of low energy electronic transitions and the vibrational spectra that are unique to the electronic states involved in the reaction. Finally, the use of TRIR spectroscopy to investigate charge carrier localization mechanisms in lead-halide perovskites is described, followed by an outlook of future applications of the technique in optoelectronic materials research.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Materials laboratories of the future for alloys, amorphous, and composite materials

In alignment with the Materials Genome Initiative and as the product of a workshop sponsored by the US National Science Foundation, we define a vision for materials laboratories of the future in alloys, amorphous materials, and composite materials; chart a roadmap for realizing this vision; identify technical bottlenecks and barriers to access; and propose pathways to equitable and democratic access to integrated toolsets in a manner that addresses urgent societal needs, accelerates technological innovation, and enhances manufacturing competitiveness. Spanning three important materials classes, this article summarizes the areas of alignment and unifying themes, distinctive needs of different materials research communities, key science drivers that cannot be accomplished within the capabilities of current materials laboratories, and open questions that need further community input. Here, we provide a broader context for the workshop, synopsize the salient findings, outline a shared vision for democratizing access and accelerating materials discovery, highlight some case studies across the three different materials classes, and identify significant issues that need further discussion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Superhard Materials: Advances in the Search and Synthesis of New Materials

Materials with superior hardness can be categorized as ultrahard (Vickers hardness, H v ≥ 80 GPa) and superhard (H v ≥ 40 GPa). These materials are commonly used as cutting tools and abrasives in the machining and manufacturing industries. With its extreme hardness, diamond is the best known and most used ultrahard material for industrial applications. However, it is ineffective at cutting and drilling ferrous alloys due to diamond's high reactivity with iron and poor thermal stability in air. Additionally, the synthesis of diamond requires both high pressure (HP) and high temperature, making it an expensive process. These limitations have driven the search for alternative superhard materials that are capable of cutting steels and other materials at lower costs. This article reviews the concept of hardness and summarizes advancements in the synthesis and mechanical properties of hard materials. It begins with a review of methods to measure hardness, adding HP diffraction methods to more conventional hardness measurements. It then considers new ultrahard materials that exist within the B–C–N ternary system, with hardness approaching diamond but improved chemical stability. Finally, it surveys superhard nitrides, oxides, and borides as potential alternative materials, focusing on transition metal boride systems where the synthesis can be readily achieved at ambient pressure and scaled for industrial applications. We hope that this article serves as an overview of hard materials and guide for the comparison of data reported in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Non-Destructive Inspection Approach Using Ultrasound to Identify the Material State for Amorphous and Semi-Crystalline Materials

At present, there are many methods to identify the temperature and phase of a material using invasive techniques. However, most current methods require physical contact or implicit methods utilizing light reflectance of the specimen. In this paper, we present a nondestructive inspection method using ultrasonic wave technology that circumvents these disadvantages to identify phase change regions and infer the temperature state of a material. In the present study an experiment is performed to monitor the time of flight within a wax as it undergoes melting and the subsequent cooling. Results presented in this work show a clear relationship between a material’s speed of sound and its temperature. The phase change transition of the material is clear from the time of flight results, and in the case of the investigated material, this change in the material state occurs over a range of temperatures. The range of temperatures over which the wax material melts is readily identified by speed of sound represented as a function of material temperature. The melt temperature, obtained acoustically, is validated using Differential Scanning Calorimetry (DSC), which uses shifts in heat flow rates to identify phase transition temperature ranges. Lastly, the investigated ultrasonic NDE method has direct applications in many industries, including oil and gas, food and beverage, and polymer composites, in addition to many implications for future capabilities of nondestructive inspection of multi-phase materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Materials Frontiers to Empower Quantum Computing: A Report of a Workshop on Materials Opportunities for Quantum Computing

This is an exciting time at the nexus of quantum computing and materials research. The materials frontiers described in this report represent a significant advance in electronic materials and our understanding of the interactions between the local material and a manufactured quantum state. Simultaneously, directed efforts to solve materials issues related to quantum computing provide an opportunity to control and probe the fundamental arrangement of matter that will impact all electronic materials. An opportunity exists to extend our understanding of materials functionality from electronic-grade to quantum-grade by achieving a predictive understanding of noise and decoherence in qubits and their origins in materials defects and environmental coupling. Realizing this vision systematically and predictively will be transformative for quantum computing and will represent a qualitative step forward in materials prediction and control.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Cladding material, tube including such cladding material and methods of forming the same

A multi-layered cladding material including a ceramic matrix composite and a metallic material, and a tube formed from the cladding material. The metallic material forms an inner liner of the tube and enables hermetic sealing of thereof. The metallic material at ends of the tube may be exposed and have an increased thickness enabling end cap welding. The metallic material may, optionally, be formed to infiltrate voids in the ceramic matrix composite, the ceramic matrix composite encapsulated by the metallic material. The ceramic matrix composite includes a fiber reinforcement and provides increased mechanical strength, stiffness, thermal shock resistance and high temperature load capacity to the metallic material of the inner liner. The tube may be used as a containment vessel for nuclear fuel used in a nuclear power plant or other reactor. Methods for forming the tube comprising the ceramic matrix composite and the metallic material are also disclosed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Material for solid state sintered material

A solid state sintered material is described that includes a mixed oxide of lanthanum, strontium, cobalt, iron and oxygen, and CaCO3 inclusions. The solid state sintered material can also include calcium oxide, which can form from thermal composition of calcium carbonate. The solid state sintered material can also include a pore-forming particulate material such as carbon black and/or a doped ceramic metal oxide ionic conductor such as Sm-doped ceria uniformly dispersed in the solid state sintered material. The solid state sintered material can be formed from a two-step process in which a portion of the CaCO3 is mixed with the mixed oxide materials and heated to form porous agglomerates, and the remaining CaCO3 is added during the formation of a sintering paste. The solid state sintered material described herein can be used as a cathode material for solid oxide fuel cell.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Methods and materials for determination of distribution coefficients for separation materials

Methods and materials for determining the affinity of separation materials for targeted species are described. A composite separation medium is described that combines a separation material such as an ion exchange material or a sorbent with an SERS substrate. Methods and materials can be utilized to determine the distribution coefficient of a species for a separation material after running a single separation protocol followed by examination of the separation material of the protocol according to SERS. Disclosed methods can be utilized to determine the affinity of existing separation materials for targeted species as well as to determine the affinity of newly engineered separation materials to characterize species.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
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 OSTI2015

Commentary: The Hash House Harriers and the winding path to materials discovery

Materials science research can be both very demanding and extremely rewarding. In this Commentary, in my own research of new electronic and magnetic materials, I give numerous exemplars of the path followed to materials discovery. I also highlight the parallels between my research experiences with the pastime of running. I hope that my thoughts will help guide junior researchers along the often tortuous and exciting path to new materials and that I can teach them to be open minded and persistent about following new lines of discovery. “No-pain, no-gain” applies to many things in life, running and scientific research being just two examples, but I hope in the case of scientific research that I can convince you the gain normally outweighs the pain.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Interstitial and interlayer ion diffusion geometry extraction in graphitic nanosphere battery materials

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermally annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Lastly, our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.

25 ENERGY STORAGE↗