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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Revealing the structure and electronic characteristics of Te-rich threshold switching materials for high-density integration

Ovonic threshold switching (OTS) selectors play an important role in the integration of advanced three-dimensional memory. Selectors based on tellurium (Te)-containing materials exhibit significant promise due to their low threshold voltages and superior consistency. Here we have theoretically studied the structure and electronic properties of a typical OTS material, amorphous GeTe 6 , to explore the switching mechanisms using ab initio molecular dynamics simulations. The results indicate that Ge atoms tend to bond with Te atoms, forming stable chemical bonds. The Te-centered clusters are predominantly in the form of distorted octahedrons, while the Ge-centered clusters are in the form of both octahedrons and tetrahedrons. Notably, the proportion of tetrahedrons within the 4-coordinated Ge-centered clusters reaches an impressive 66.9%. These tetrahedrons are randomly dispersed throughout the simulated cell, leading to a stable amorphous configuration. The mid-gap state observed in the mobility bandgap originates from the atomic chain composed of both over-coordinated Ge and Te atoms. It is the inherent stability of the chemical environment within amorphous GeTe 6 that enables it to maintain its amorphous phase under a repeated threshold voltage, a characteristic that distinguishes it from non-OTS materials, such as amorphous tellurium. Furthermore, our findings provide an in-depth understanding of the structure and electronic characteristics of amorphous GeTe 6 , which can promote the design and application of the Te-rich threshold switching materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

SURVEILLANCE DETECTION FOR TRANSPORTATION OPERATIONS PERSONNEL TO PREVENT HIJACKING, THEFT, SABOTAGE, AND MALICIOUS SECURITY EVENTS DURING TRANSPORTING NUCLEAR MATERIAL

The secure transportation of high-consequence materials, including nuclear and radiological assets, is a critical global priority in the face of escalating terrorism, security threats, and violent protests targeting these operations. Effective surveillance detection—the ability to identify, assess, and respond to potential threats across a continuum of scenarios—is paramount in addressing these challenges. This paper outlines a phased, multi-tiered training program designed to strengthen the surveillance detection capabilities of organizations responsible for nuclear material transport. The proposed training program adopts a progressive approach, gradually increasing in technical complexity to provide participants with comprehensive knowledge and tools for implementing robust security strategies. It targets a wide spectrum of stakeholders, including competent authorities, regulators, inspectors, shippers, carriers, law enforcement, and emergency response personnel, equipping them to plan, evaluate, and safeguard nuclear material transportation effectively. Each phase of the program emphasizes distinct elements of the surveillance detection continuum and transport security, focusing on critical topics such as threat identification, adversary task timelines, protective methodologies, and attack mitigation strategies. The training framework is anchored in technical exchanges and scenario-driven courses that reflect real-world complexities and challenges. By addressing the surveillance detection continuum comprehensively—from early threat assessment to active countermeasures—the program reinforces global efforts to secure nuclear assets. It aligns with international security objectives and fosters a strong security culture within participating organizations, ensuring personnel are prepared to counter potential threats and maintain the safe, secure movement of these materials. Ultimately, this initiative aims to enhance preparedness, security, and response capabilities, supporting the global mission to safeguard high-consequence materials against evolving threats.

Zineddin, Dr. Z. [ORNL] (ORCID:0009000848740725)↗
DOE OSTI2020

Multiple monoenergetic gamma radiography (MMGR) with a compact superconducting cyclotron

Smuggling of special nuclear materials and nuclear devices through borders and ports of entry constitutes a major risk to global security. Technologies are needed to reliably screen the flow of commerce for the presence of high-Z materials such as uranium and plutonium. Here, we present an experimental proof-of-concept of a technique that uses inelastic (p,p') nuclear reactions to generate monoenergetic photons, which provide means to measure the areal density and the effective-Z (Z eff ) of an object with an accuracy surpassing that achieved by current methods. We use an ION-12 SC superconducting 12 MeV proton cyclotron to produce 4.4, 6.1, 6.9, and 7.1 MeV photons from a variety of nuclear reactions. Using these photons in a transmission mode, we show that we are able to accurately reconstruct the areal densities and Zeff of a test object. This methodology could enable mobile applications to screen commercial cargoes with high material specificity, providing a means of distinguishing common cargo materials from high-Z materials that include uranium and plutonium.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Materials Engineering for High Performance and Durability Proton Exchange Membrane Water Electrolyzers

Proton exchange membrane water electrolyzers (PEMWEs) are expected to play a crucial role in the global green energy transition during the 21st century. They provide a versatile and sustainable solution for generating hydrogen with very high purity in combination with renewable energies, such as solar and wind. Despite their promise, PEMWEs face several critical problems, including high costs, performance limitations, and durability challenges, particularly at low iridium (Ir) loading on the anode. Advancing next-generation PEMWEs requires extensive work on materials engineering of all cell components, including the catalyst layer (CL), membrane, porous transport layer (PTL), bipolar plate (BPP), and gasket. This task must be performed with the complementary contribution of different modeling and characterization techniques. This review presents a critical perspective from academia, research centers, and industry, mapping main developments, remaining gaps, and strategic pathways to advance PEMWE technology. A focus is devoted to key aspects, such as operation at low Ir loading, membrane durability, multiscale transport layers, porous and non-porous flow fields, multiphysics modeling, and multipurpose characterization techniques, which are thoroughly discussed. By unifying these topics, this review provides readers with the essential knowledge to grasp current developments and tackle tomorrow's challenges in PEMWE engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Development of Composite Photocatalyst Materials that are Highly Selective for Solar Hydrogen Production and their Evaluation in Z-Scheme Reactor Designs

The key technology gap preventing a vertically stacked dual-bed particle suspension reactor from achieving the DOE MYRD&D ultimate cost target for H 2 production remains the lack of materials in particle form factor that exhibit ≥10% solar-to-H 2 energy conversion (STH) efficiency as a suspension. Therefore, our project goals centered around strategies to increase the STH efficiency by enhancing photophysical properties of perovskite oxide particles including increased visible-light absorption, increased selectivity for electrocatalysis of the H 2 evolution reaction (HER) and the O 2 evolution reaction (OER) through development of ultrathin oxide coatings, correlating composition and structure to function, and improving understanding of multiscale transport and kinetic processes.

08 HYDROGEN↗
DOE OSTI2022

Colloidal Quantum Dot Solar Cells: Progressive Deposition Techniques and Future Prospects on Large-area Fabrication

Colloidally grown nanosized semiconductors yield extremely high-quality optoelectronic materials. Many examples have pointed to near perfect photoluminescence quantum yields, meaning non-radiative optical processes (losses) can be completely suppressed allowing for technology-leading materials as high purity color centers in display technology and emitters in LEDs. Furthermore, because of high chemical yield, and improved understanding of the surfaces, these materials, particularly colloidal quantum dots (QDs) can also be ideal candidates for other optoelectronic applications. Given the strong drive toward carbon neutrality and limiting climate change, electricity from solar photovoltaics will play a large role in the power generation sector. QDs have been developed and shown dramatic improvements over the past 15 years as photoactive materials in photovoltaics and have unique potential with various innovative deposition properties which could lead to exceptionally low-cost and high-performance devices. Once the key issues related to charge transport in optically thick arrays are addressed, QD-based photovoltaic technology could become a better candidate for practical application. In this article, w e show how the possibilities of different deposition techniques could bring QD-based solar cells to the industrial level and discuss the challenges for perovskite QD solar cells in particular, to achieve large-area fabrication for further advancing technology to solve pivotal energy and environmental issues.

14 SOLAR ENERGY↗
DOE OSTI2023

Annual report for DOE VTO

Carbon fiber (CF)/polymer composites are a transformative class of high-performance, lightweight material, where high aspect-ratio CFs reinforce a polymer matrix and exceed the strength of steel alloys at a fraction of the density. Despite the advantages of such a class of material, the broader implementation of CF composites in a range of automotive, aerospace, and energy applications is hindered by limitations of current manufacturing methods. These current techniques (e.g., hand lay-up, wet filament winding) are costly and impose severe limitations on fiber placement, orientation, and angle, and thus a composite’s ultimate properties. Today’s CF composites are expensive to manufacture, limited in form factor, and utilize costly and sub-optimal continuous filament CF. Advanced additive manufacturing (AM) processes, combined with computational design optimization and new approaches to resin development, offer alternative design and manufacturing paradigms that have the realistic potential to lift these constraints. Such integrated AM approaches could thus help to realize the full potential of CF composite materials. One relevant application of CF composite materials where manufacturing constraints limit the cost-benefit ratio is in the manufacture of high-performance composite pressure vessels for onboard compressed natural gas (CNG) storage. Current CNG storage vessels (Types 3–5) are made from load-bearing filament-wound carbon-fiber composite and are ~3.5 times as expensive as an all-metallic Type-1 vessel. This cost is invariably tied to the complex and labor-intensive nature of conventional filament winding processes and the large volumes of expensive high tensile-strength CF tow feedstock required in manufacture. Our proposed approach to CNG storage vessel manufacture is based on a combination of AM technologies for CF composite printing and design optimization tools that were pioneered at Lawrence Livermore National Laboratory (LLNL), with advances in resin/composite formulation enabled by chemical and nano-material modification. Through the successful development of this technology, LLNL seeks to demonstrate the capability for advanced CNG storage vessel manufacture at reduced cost with no reduction in performance versus the most advanced, extant Type-5 designs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Method for lithograghic patterning of sensitive materials

Methods for patterning highly sensitive materials, such as organic materials, organic semiconductors, biomolecular materials, and the like, with photolithographic resolution are disclosed. In some embodiments, a germanium mask (304) is formed on the surface of the sensitive material (302), thereby protecting it from subsequent processes that employ harsh chemicals that would otherwise destroy the sensitive material (302). A microlithography mask (306) is patterned on the germanium mask layer (304), after which the germanium exposed by the microlithography mask (306) is removed by dissolving it in water. After transferring the pattern of the germanium mask (304) into the sensitive material (302), the germanium and microlithography masks (304, 306) are completely removed by immersing the substrate in water, which dissolves the remaining germanium and lifts off the microlithography mask material. As a result, the only chemical to which the sensitive material (302) is exposed during the patterning process is water, thereby mitigating or avoiding damage to the material (302).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structural design strategies for superionic sodium halide solid electrolytes

We report sodium all-solid-state batteries (ASSBs) with superionic solid electrolytes (SEs) show substantial potential for large-scale energy-storage applications. Recently, lithium halide SEs have attracted attention owing to their potential compatibility with high-voltage cathode materials and high ionic conductivity. Although sodium halide SEs are believed to exhibit good electrochemical stability, very few compounds have been reported. This study provides design principles for superionic sodium halide SEs through systematic theoretical investigations of Na 3 MX 6 (X = Cl, Br, and I). The Na 3 MX 6 structures depend on the types and sizes of M and X: Na 3 MCl 6 and Na 3 MBr 6 prefer the $P\bar{3}$1c, P2 1 /n and $R\bar{3}$ phases, whereas Na 3 MI 6 prefers the C2/m phase. The Na 3 MI 6 C2/m phase is found to exhibit reasonably high ionic conductivity (~10 -4 S/cm -1 ) and anion mixing with Br further improve Na-ion migration, leading to an even higher ionic conductivity (~10 -3 S/cm -1 ) for Na 3 MBr 3 I 3 . The material design principles in this study provide fundamental guidelines for the development of superionic Na halide SEs for high-voltage Na ASSBs

25 ENERGY STORAGE↗
DOE OSTI2024

Predictive binder jet additive manufacturing enabled by clean burn-off binder design

Binder jet additive manufacturing (BJAM) presents an avenue for advanced manufacturing of various high-value materials due to high deposition rates, scalability, and geometric flexibility. However, conventional organic binders in BJAM introduce residual carbon upon pyrolysis, often leading to imprecise alloy composition in the final sintered part. The undesirable residual carbon from binder burn-off limits the application of BJAM for high-performance alloys due to their high sensitivity to carbon addition. In this study, we have designed poly(vinylpyrrolidone-co-vinyl acetate) (PVP-VAc) as a clean burn-off binder for BJAM, where excess oxygen groups in VAc enable cleaner burn-off and reduce residual carbon retention. Compared to a widely used commercial binder, the optimized PVP-VAc binder reduced residual carbon retention by over 90% in H13 tool steel. The significant reduction in residual carbon enables predictable printing and subsequent sintering of complex H13 tool steel geometries, an alloy known to have substantial challenges around distortion due to the sintering window shifting from carbon addition. The design of a clean burnout binder provides a major path forward for BJAM by enabling new AM designs and applications for composition-sensitive high-performance alloys, such as nickel-based superalloys, titanium alloys, and high alloyed steels.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Material exploration towards high quality factor microwave resonators

Niobium and aluminum have been widely used to realize superconducting resonators and qubits. However, the native oxide at the metal air interface limits the devices results. This layer is highly disordered, and it induces losses limiting the performances of the resonators or qubits. Recently, tantalum led to great improvement in qubit relaxation time. This improvement has been attributed to a thinner and less disordered oxide layer compared to Nb and Al. This study is aimed to limit the formation of the oxide layer, by the introduction of novel superconducting materials such as rhenium or by encapsulating the Nb surface with other superconducting materials such as Ta, Al, Re or other non-superconducting materials such as Au. To better understand the results, we are realizing these studies on coplanar waveguide resonators where the relation between surface losses and quality factor is clear. We are also analyzing different fabrication techniques to completely characterize our devices, linking material properties to the performances. In this work we are also varying the participation ratio of the devices in order to extract with higher fidelity and precision the losses introduced by the involved interfaces.

Crisa, F.↗
DOE OSTI2020

Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials

There is an urgent global need for electrochemical energy storage that includes materials that can provide simultaneous high power and high energy density. One strategy to achieve this goal is with pseudocapacitive materials that take advantage of reversible surface or near-surface Faradaic reactions to store charge, surpassing the capacity limitations of electrical double-layer capacitors and mass transfer limitations of batteries. The past decade has seen tremendous growth in the understanding of pseudocapacitance as well as materials that exhibit this phenomenon. The purpose of this study is to examine the fundamental development of the concept of pseudocapacitance and how it came to prominence in electrochemical energy storage as well as to describe new classes of materials whose electrochemical energy storage behavior can be described as pseudocapacitive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗