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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Radiation-resistant metal-organic framework enables efficient separation of krypton fission gas from spent nuclear fuel

Capture and storage of volatile radionuclides that result from processing of used nuclear fuel is a major challenge. Solid adsorbents, in particular ultra-microporous metal-organic frameworks, could be effective in capturing these volatile radionuclides, including 85 Kr. However, metal-organic frameworks are found to have higher affinity for xenon than for krypton, and have comparable affinity for Kr and N 2 . Also, the adsorbent needs to have high radiation stability. To address these challenges, here we evaluate a series of ultra-microporous metal-organic frameworks, SIFSIX-3-M (M = Zn, Cu, Ni, Co, or Fe) for their capability in 85 Kr separation and storage using a two-bed breakthrough method. These materials were found to have higher Kr/N 2 selectivity than current benchmark materials, which leads to a notable decrease in the nuclear waste volume. The materials were systematically studied for gamma and beta irradiation stability, and SIFSIX-3-Cu is found to be the most radiation resistant.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Surface Oxidation Behavior of FeNi-based Metal Amorphous Nanocomposite (MANC) Alloys for High-Speed Motor Applications

New interest in high performance soft magnetic materials (SMMs) have been fueled by the need to lower losses at higher operating frequencies while maintaining high flux density and tunable permeability in electrical motors, transformer, and generator applications. Conventional SMMs like electrical steels and Fe-based metal amorphous nanocomposite (MANC) alloys are dominated by eddy current losses at high frequencies. Recent breakthrough in high-performance FeNi MANC have shown promise in reducing eddy current losses as compared to electrical steels. Their intrinsic adherent native surface oxide layer provides sufficient electrical insulation to reduce interlaminate eddy current losses. However, notwithstanding advances in MANCs, there exists a gap in literature on investigations of the surface oxide layer responsible for significant reduction of interlaminate eddy current losses in magnetic cores. This work presents a detailed characterization of the surface oxide, oxidation behavior, and relationship between oxide thickness and resistivity of a new FeNi MANC alloy (Fe70Ni30)80Nb4B14Si2.

Egbu, James↗
DOE OSTI2022

Gas diffusion through variably-water-saturated zeolitic tuff: Implications for transport following a subsurface nuclear event

Noble gas transport through geologic media has important applications in the characterization of underground nuclear explosions (UNEs). Without accurate transport models, it is nearly impossible to distinguish between xenon signatures originating from civilian nuclear facilities and UNEs. Understanding xenon transport time through the earth is a key parameter for interpreting measured xenon isotopic ratios. One of the most challenging aspects of modeling gas transport time is accounting for the effect of variable water saturation of geological media. In this study, we utilize bench-scale laboratory experiments to characterize the diffusion of krypton, xenon, and sulfur hexafluoride (SF6) through intact zeolitic tuff under different saturations. Here, we demonstrate that the water in rock cores with low partial saturation dramatically affects xenon transport time compared to that of krypton and SF6 by blocking sites in zeolitic tuff that preferentially adsorb xenon. This leads to breakthrough trends that are strongly influenced by the degree of the rock saturation. Xenon is especially susceptible to this phenomenon, a finding that is crucial to incorporate in subsurface gas transport models used for nuclear event identification. We also find that the breakthrough of SF6 diverges significantly from that of noble gases within our system. When developing field scale models, it is important to understand how the behavior of xenon deviates from chemical tracers used in the field, such as SF6 (Carrigan et al., 1996). These new insights demonstrate the critical need to consider the interplay between rock saturation and fission product sorption during transport modeling, and the importance of evaluating specific interactions between geomedia and gases of interest, which may differ from geomedia interactions with chemical tracers.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Creation, stabilization, and investigation at ambient pressure of pressure-induced superconductivity in Bi 0.5 Sb 1.5 Te 3

In light of breakthroughs in superconductivity under high pressure, and considering that record critical temperatures (T c s) across various systems have been achieved under high pressure, the primary challenge for higher T c should no longer solely be to increase T c under extreme conditions but also to reduce, or ideally eliminate, the need for applied pressure in retaining pressure-induced or -enhanced superconductivity. The topological semiconductor Bi 0.5 Sb 1.5 Te 3 (BST) was chosen to demonstrate our approach to addressing this challenge and exploring its intriguing physics. Under pressures up to ~50 GPa, three superconducting phases (BST-I, -II, and -III) were observed. A superconducting phase in BST-I appears at ~4 GPa, without a structural transition, suggesting the possible topological nature of this phase. Using the pressure-quench protocol (PQP) recently developed by us, we successfully retained this pressure-induced phase at ambient pressure and revealed the bulk nature of the state. Significantly, this demonstrates recovery of a pressure-quenched sample from a diamond anvil cell at room temperature with the pressure-induced phase retained at ambient pressure. Other superconducting phases were retained in BST-II and -III at ambient pressure and subjected to thermal and temporal stability testing. Superconductivity was also found in BST with T c up to 10.2 K, the record for this compound series. While PQP maintains superconducting phases in BST at ambient pressure, both depressurization and PQP enhance its T c , possibly due to microstructures formed during these processes, offering an added avenue to raise T c . These findings are supported by our density-functional theory calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Noble Gas Management: SBMOF 1 vs. NUCON Carbon

Pacific Northwest National Laboratory (PNNL), in collaboration with Flibe Energy, Inc., demonstrated the fabrication of metal organic frameworks (MOFs) into engineered beads to manage off-gases released from molten salt reactors. Among the many MOF options, SBMOF 1 was selected as an ideal sorbent to manage off-gases released from a molten salt reactor because its pore size is optimal. The SBMOF 1 was synthesized and fabricated into engineered particles using three different methods, with and without polymers. All the engineered particles were exposed to Co-60 radiation (1,000 kGy) to demonstrate their radiation stability. Single column breakthrough experiments were performed at different temperatures, activation conditions, flow rates, and off-gas compositions to optimize the Xe capacity at the breakthrough point and at saturation. The Xe loading in SBMOF 1 was compared with that of standard solid sorbent (Nucon carbon) under identical conditions. Based on the single column experiments, SBMOF 1 outperforms the Nucon carbon at all the temperatures and reduces the mass (to as little as 55%) of sorbent needed to achieve the same performance as carbon. The bed volume is also reduced, down to 48% of that of Nucon carbon, when the MOF is used. These results clearly demonstrate improvement in the amount of adsorbent needed and show a reduction in bed volume compared to traditional sorbent material.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Pulsar’s Application in Energy Systems: Review of Current Status, Challenges, and Opportunities

To accelerate progress toward the realization of advanced energy systems, this review explores the potential of pulsar technology to create a more stable, economical, and environmentally friendly energy infrastructure. Pulsars, with their precise and reliable timing characteristics, have emerged as a promising tool for enhancing energy systems. This review begins by examining the development history of pulsar technology, shedding light on its evolution and the milestones achieved. It then provides a comprehensive summary of the current state of research, highlighting recent advancements and breakthroughs in this field. It also explores transformative pulsar applications in energy systems, including improved grid stability, advanced energy synchronization, and efficient energy storage management. However, implementing pulsar-related technologies presents significant technical, economic, and operational challenges. This review examines these hurdles and proposes strategies to overcome them, emphasizing the need for innovation, interdisciplinary collaboration, and supportive policies to fully integrate pulsar technologies into sustainable energy systems.

application↗
DOE OSTI2025

A Unifying Framework to Enable Artificial Intelligence in High-Performance Computing Workflows

Current trends point to a future where large-scale scientific applications are tightly coupled high-performance computing/artificial intelligence (HPC/AI) hybrids. Hence, we urgently need to invest in creating a seamless, scalable framework where HPC and AI/machine learning can efficiently work together and adapt to novel hardware and vendor libraries without starting from scratch every few years. Finally, the current ecosystem and sparsely connected community are not sufficient to tackle these challenges, and we require a breakthrough catalyst for science similar to what PyTorch enabled for AI.

high-performance computing↗
DOE OSTI2021

Accomplishments and Year-End Performance Report; Wind Energy Program: Fiscal Year 2021

The National Wind Technology Center (NWTC), located at the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL) Flatirons Campus, has been a driving force in advancing wind energy technology research worldwide since its designation as a DOE national research center in 1992. Enabled by the Flatirons Campus's world-class facilities, scientists, engineers, analysts, and researchers are pushing the frontiers of science to pursue wind energy innovation. In Fiscal Year (FY) 2021, NREL continued to provide the technical expertise, research capabilities, and industry understanding to support DOE's ambitious climate action and research goals by advancing technology, addressing market and deployment barriers, and driving down costs with more efficient, reliable, and predictable wind energy systems. One of several highlights, NREL received an R&D 100 Special Recognition Award for its Thermoplastic Resin System for Wind Turbine Blades. This breakthrough in the wind turbine manufacturing process will enable the production of recyclable blades that are stronger, longer, and less expensive, while increasing energy capture, decreasing energy and transportation costs, and increasing blade reliability. In a year when the entire U.S. economy struggled to address workforce gaps, an NREL study compared wind industry needs, training programs, and hiring practices with perspectives from students and recent college graduates. Researchers hope that, by pinpointing areas of disconnect, the expectations of employers who have difficulty filling entry-level jobs can better align with the preparation of the potential applicants who find it hard to break into the field. The lab also made numerous new data and modeling resources available in FY 2021. Recent NREL releases include a modeling tool for predicting the power performance and structural loads of wind turbines within a wind farm (FAST.Farm), a computational framework for modeling golden eagle behavior near wind farms, and 20 years of offshore wind data. Updates were also made to the widely used Wind Plant Integrated Systems Design and Engineering Model (WISDEM), which couples engineering and cost models to examine system-level trade-offs. Now, bolstered by a renewed national commitment to tackle climate change and revitalize the U.S. economy through increased investment in clean energy - particularly in offshore wind energy - NREL stands poised to lead the way to a sustainable future that powers the United States with significant levels of reliable, low-cost, accessible wind energy. This report provides an overview of the achievements NREL made on behalf of DOE's Wind Energy Technologies Office (WETO) and other partners during FY 2021 (between Oct. 1, 2020, and Sept. 30, 2021).

Flatirons Campus↗
DOE OSTI2023

UVCGAN: UNet Vision Transformer cycle-consistent GAN for unpaired image-to-image translation

Unpaired image-to-image translation has broad applications in art, design, and scientific simulations. One early breakthrough was CycleGAN that emphasizes one-to-one mappings between two unpaired image domains via generative-adversarial networks (GAN) coupled with the cycle-consistency constraint, while more recent works promote one-to-many mapping to boost diversity of the translated images. Motivated by scientific simulation and one-to-one needs, this work revisits the classic CycleGAN framework and boosts its performance to outperform more contemporary models without relaxing the cycle-consistency constraint. To achieve this, we equip the generator with a Vision Transformer (ViT) and employ necessary training and regularization techniques. Compared to previous best-performing models, our model performs better and retains a strong correlation between the original and translated image. An accompanying ablation study shows that both the gradient penalty and self-supervised pre-training are crucial to the improvement. To promote reproducibility and open science, the source code, hyperparameter configurations, and pre-trained model are available at https: //github.com/LS4GAN/uvcgan.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Allosteric control of electron transfer in nitrogenase and nitrogenase-like enzymes (Final Report)

More than a third of all known proteins to date are either oxidoreductases or metalloproteins. The diversity of metal cofactors and redox centers in these proteins make them attractive candidates for engineering protein-based biocatalysts, biosensors, and biofuel cells, among other necessary tools for the bioeconomy. Many of these enzymes function as large multi-subunit complexes arranged as symmetric or asymmetric assemblies, and the purpose of this architecture is unclear. The goal of the project was to address this fundamental question by investigating the mechanism of action of two oxidoreductases: Nitrogenase and DPOR (Dark-Operative Protochlorophyllide Oxidoreductase, a nitrogenase-like oxidoreductase). Nitrogenase and DPOR play key roles in nitrogen fixation and photosynthesis, processes essential to sustaining life. Both proteins are arranged as two symmetrical halves with each half capable of substrate reduction. For more than half a century, substrate reduction by nitrogenase has been presumed to occur independently within the two identical halves. Funded by this DOE grant we have now shown that both nitrogenase and DPOR function asymmetrically. Electron transfer in one half suppresses activity in the other. Thus, we have demonstrated that the two halves do not function in an independent manner; rather, catalytic events in one-half allosterically suppress activity and electron transfer (ET) in the other. This alternating-site mechanism has significant implications on our current understanding of substrate reduction by these enzymes and offers a new mechanistic paradigm for the reactions they catalyze. Our work now provides a mechanistic map of the how the two symmetric catalytic halves work together to establish and maintain the sequential-site mechanism through multiple ET cycles to achieve substrate reduction. There is substantive need for bio-inspired tools that enable reduction of nitrogen and other substrates, as well as photosynthesis, for energy and food production. Understanding the workings of enzymes like nitrogenase and DPOR that mediate multi-electron redox chemistry is vital for designing such synthetic tools. The timing of our research coincides with the biotechnological breakthrough of light-driven artificial N2 reduction by nitrogenase, achieved using the native enzyme with both halves arranged in a mirror-like architecture as catalyst. Together with such discoveries, our research now reveal unknown facets of the reaction mechanism and hold promise for designing more effective catalysts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV)

The high morbidity and mortality associated with SARS-CoV-2 infection, the etiological agent of COVID-19, has had a major impact on global public health. Significant progress has been made in the development of an array of vaccines and biologics, however, the emergence of SARS-CoV-2 variants and breakthrough infections are an ongoing major concern. Furthermore, there is an existing paucity of small-molecule host and virus-directed therapeutics and prophylactics that can be used to counter the spread of SARS-CoV-2, and any emerging and re-emerging coronaviruses. Here, we describe herein our efforts to address this urgent need by focusing on the structure-guided design of potent broad-spectrum inhibitors of SARS-CoV-2 3C-like protease (3CL pro or Main protease), an enzyme essential for viral replication. The inhibitors exploit the directional effects associated with the presence of a gem-dimethyl group that allow the inhibitors to optimally interact with the S4 subsite of the enzyme. Several compounds were found to potently inhibit SARS-CoV-2 and MERS-CoV 3CL proteases in biochemical and cell-based assays. Specifically, the EC50 values of aldehyde 1c and its corresponding bisulfite adduct 1d against SARS-CoV-2 were found to be 12 and 10 nM, respectively, and their CC50 values were >50 μM. Furthermore, deuteration of these compounds yielded compounds 2c/2d with EC50 values 11 and 12 nM, respectively. Replacement of the aldehyde warhead with a nitrile (CN) or an α-ketoamide warhead or its corresponding bisulfite adduct yielded compounds 1g, 1e and 1f with EC50 values 60, 50 and 70 nM, respectively. High-resolution cocrystal structures have identified the structural determinants associated with the binding of the inhibitors to the active site of the enzyme and, furthermore, have illuminated the mechanism of action of the inhibitors. Overall, the high Safety Index (SI) (SI=CC50/EC50) displayed by these compounds suggests that they are well-suited to conducting further preclinical studies.

3-Chymotrypsin-like protease (3CLpro)↗
DOE OSTI2026

Exploring life’s hidden majority: microbial dark matter symposium highlights

The Microbial Dark Matter Symposium held on August 28–29, 2025, in Laguna Beach, Orange County, CA, convened a multidisciplinary group of scientists to address the vast unknowns in microbial life—from uncultured taxa and uncharacterized proteins to elusive viruses and spacefaring microbes. Set against a scenic coastal backdrop, the symposium highlighted advances in single-cell genomics, proximity ligation sequencing, and artificial intelligence-ready bioinformatics, while also probing the limits of microbial persistence, metabolism, and ecological distribution. Sessions explored microbial dark matter from multiple dimensions: cultivability, where new strategies are enabling recovery of elusive microbes; functional ambiguity, where metagenomic dark zones are illuminated by computational annotation; and genomic representation, where single-cell methods bridge gaps left by shotgun community sequencing. Researchers shared breakthroughs in identifying atmospheric microbiomes, “dark oxygen” production in groundwater ecosystems, and microbial survival on the International Space Station. The symposium emphasized integration of methods, disciplines, and ecosystems, advancing a collective push to illuminate the microbial dark matter on Earth and beyond. By highlighting emerging tools, pressing questions, and cross-domain insights, the symposium underscored the need for collaborative, open, and adaptive approaches to study the microbial unknown. The meeting marks a pivotal moment in microbiology, where cultivating knowledge of the uncultivated promises transformative understanding of life, everywhere.

Podar, Mircea [ORNL] (ORCID:0000000327760205)↗
DOE OSTI2025

Bubble Transport through a Porous Lattice with an Applied Inlet Flow

Within gas-evolving electrochemical systems, bubbles negatively impact performance by covering electrode active sites for reactions, blocking electric field lines, and obstructing liquid electrolyte flow causing pressure buildup. Recent additive manufacturing advances have enabled tuned porous electrode microstructures to be created, but producing systems that maximize electrochemical throughput and minimize bubble impact remains challenging. Thus, improved physical understanding of and modeling capabilities for bubble behavior are critical to improve electrolyzer design. To address this need, this study examines rising stage bubbles within a lattice with an applied liquid flow—an underexplored regime that strongly influences an electrochemical bubble’s fate. Notably, theoretical predictions and resolved bubble simulations are complemented by experiments from a 3D-printed visualization cell that matches the simulation geometry. The minimum threshold flow rate to achieve bubble breakthrough is found to be larger for higher porosities and for smaller bubbles. Different-sized bubbles decrease expected electrochemical performance in different ways; smaller bubbles tend to stay stuck but cover less solid surface, while larger bubbles more readily break through but cover more surface while in the lattice. The bubble trajectory, deformation, and contact area provide insight into these different behaviors. These findings provide design guidelines toward creating more effective electrolyzers.

Guo, Jack [Lawrence Livermore National Laboratory ↗
DOE OSTI2025

Advancing ocean monitoring and knowledge for societal benefit: the urgency to expand Argo to OneArgo by 2030

The ocean plays an essential role in regulating Earth’s climate, influencing weather conditions, providing sustenance for large populations, moderating anthropogenic climate change, encompassing massive biodiversity, and sustaining the global economy. Human activities are changing the oceans, stressing ocean health, threatening the critical services the ocean provides to society, with significant consequences for human well-being and safety, and economic prosperity. Effective and sustainable monitoring of the physical, biogeochemical state and ecosystem structure of the ocean, to enable climate adaptation, carbon management and sustainable marine resource management is urgently needed. The Argo program, a cornerstone of the Global Ocean Observing System (GOOS), has revolutionized ocean observation by providing real-time, freely accessible global temperature and salinity data of the upper 2,000m of the ocean (Core Argo) using cost-effective simple robotics. For the past 25 years, Argo data have underpinned many ocean, climate and weather forecasting services, playing a fundamental role in safeguarding goods and lives. Argo data have enabled clearer assessments of ocean warming, sea level change and underlying driving processes, as well as scientific breakthroughs while supporting public awareness and education. Building on Argo’s success, OneArgo aims to greatly expand Argo’s capabilities by 2030, expanding to full-ocean depth, collecting biogeochemical parameters, and observing the rapidly changing polar regions. Providing a synergistic subsurface and global extension to several key space-based Earth Observation missions and GOOS components, OneArgo will enable biogeochemical and ecosystem forecasting and new long-term climate predictions for which the deep ocean is a key component. Driving forward a revolution in our understanding of marine ecosystems and the poorly-measured polar and deep oceans, OneArgo will be instrumental to assess sea level change, ocean carbon fluxes, acidification and deoxygenation. Emerging OneArgo applications include new views of ocean mixing, ocean bathymetry and sediment transport, and ecosystem resilience assessment. Implementing OneArgo requires about $100 million annually, a significant increase compared to present Argo funding. OneArgo is a strategic and cost-effective investment which will provide decision-makers, in both government and industry, with the critical knowledge needed to navigate the present and future environmental challenges, and safeguard both the ocean and human wellbeing for generations to come.

ARGO↗
DOE OSTI2024

Streaming Matching and Edge Cover in Practice

Graph algorithms with polynomial space and time requirements often become infeasible for massive graphs with billions of edges or more. State-of-the-art approaches therefore employ approximate serial, parallel, and distributed algorithms to tackle these challenges. However, such approaches require storing the entire graph in memory and thus need access to costly computing resources such as clusters and supercomputers. In this paper, we present practical streaming approaches for solving massive graph problems using limited memory for two prototypical graph problems: maximum weighted matching and minimum weighted edge cover. For matching, we conduct a thorough computational study on two of the semi-streaming algorithms including a recent breakthrough result that achieves a $1/(2+\varepsilon)$-approximation of the weight while using $O( n \log W /\epsilon)$ memory (here $n$ is the number of vertices and $W$ is the maximum edge weight), designed by Paz and Schwartzman [SODA, 2017]. Empirically, we show that the semi-streaming algorithms produce matchings whose weight is close to the best $1/2$-approximate offline algorithm while requiring less time and an order-of-magnitude less memory. For minimum weighted edge cover, we develop three novel semi-streaming algorithms. Two of these algorithms require a single pass through the input graph, require $O(n \log n)$ memory, and provide a 2-approximation guarantee on the objective. We also leverage a relationship between approximate maximum weighted matching and approximate minimum weighted edge cover to develop a two-pass $3/2+\epsilon$-approximate algorithm with the memory requirement of Paz and Schwartzman's semi-streaming matching algorithm. These streaming approaches are compared against the state-of-the-art 3/2-approximate offline algorithm. The semi-streaming matching and the novel edge cover algorithms proposed in this paper can process graphs with several billions of edges in under 30 minutes using 6 GB of memory, which is at least an order of magnitude improvement from the offline (non-streaming) algorithms. For the largest graph, the best alternative offline parallel approximation algorithm (GPA+ROMA) could not finish in three hours even while employing hundreds of processors and 1 TB of memory. We also demonstrate an application of the semi-streaming algorithm by computing a matching using linearly bounded memory on item intersection graphs derived from three machine learning datasets, whereas the existing offline algorithms could not complete on one of these datasets since their memory requirements exceeded 1TB.

Ferdous, S M.↗
DOE OSTI2020

Fundamental Needs for Dynamic and Interactive Thermal Storage Solutions for Buildings (2019 Workshop)

The 2019 Workshop on Fundamental Needs for Dynamic and Interactive Thermal Storage Solutions for Buildings was held at Lawrence Berkeley National Laboratory (LBNL) in Berkeley, California, on November 19–20, 2019. The workshop convened 47 individuals involved in thermal, building, and materials science to present and discuss the use of thermal energy storage (TES) associated with buildings. The goals of the event were to revisit recent breakthroughs and identify future research opportunities in scientific areas.

25 ENERGY STORAGE↗
DOE OSTI2025

Real Time, In-line Monitoring of Hanford Tank Wastes - Year 1 Report

The team comprised of students, postdocs, early, mid and senior career scientists from Los Alamos National Laboratory, Savanah River National Laboratory, Georgia Tech and Florida International University, with the guidance of H2C, is developing a suite of in-line instruments for the Hanford high level waste (HLW) and low active waste (LAW) processes to provide near-real-time analysis of waste form physical properties and composition. The work builds on results from the recent DOE-ORP, EM Technology Development and other projects that demonstrated promise for the use of real-time in-line monitoring (RTIM) to measure chemical compositions of slurries of up to 20 weight % solids. The goal is for this instrument suite is to substantially reduce the need for sampling for process control. Sample waste, exposure associated with sample analysis, and the demand for an external laboratory facility would be greatly reduced. The throughput of waste treatment systems would be improved by elimination of the downtime caused by waiting for sample results. This translates into reduced process storage as process knowledge will be continuously updated in near-real-time. These breakthrough technologies would significantly reduce the life cycle cost and accelerate the schedule for the Hanford tank waste mission.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Hydrogen in energy and information sciences

Beyond its fascinating chemistry as the first element in the Periodic Table, hydrogen is of high societal importance in energy technologies and of growing importance in energy-efficient computing. In energy, hydrogen has reemerged as a potential solution to long-term energy storage and as a carbon-free input for materials manufacturing. Its utilization and production rely on the availability of proton-conducting electrolytes and mixed proton–electron conductors for the components in fuel cells and electrolyzers. In computing, proton mediation of electronic properties has garnered attention for electrochemically controlled energy-efficient neuromorphic computing. Incorporation of substitutional and interstitial hydride ions in oxides, though only recently established, enables tuning of electronic and magnetic properties, inviting a range of possible exotic applications. This article addresses common themes in the fundamental science of hydrogen incorporation and transport in oxides as relevant to pressing technological needs. The content covers (1) lattice (or bulk) mechanisms of hydrogen transport, primarily addressing proton transport, but also touching on hydride ion transport; (2) interfacial transport; (3) exploitation of extreme external drivers to achieve unusual response; and (4) advances in methods to probe the hydrogen environment and transport pathway. The snapshot of research activities in the field of hydrogen-laden materials described here underscores exciting recent breakthroughs, remaining open questions, and breathtaking experimental tools now available for unveiling the nature of hydrogen in solid-state matter.

08 HYDROGEN↗