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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ensuring electromagnetic compatibility in grid-connected power converters: Challenges, standards, and compliance strategies

In today's rapidly advancing world, electronic devices and systems are fundamental to a wide range of industries, including renewable energy and global telecommunications infrastructure. However, as these devices become more complex and widespread, the risk of electromagnetic interference (EMI) also increases, underscoring the importance of stringent Electromagnetic Compatibility (EMC) requirements for maintaining system integrity. This paper addresses the specific challenges associated with grid-connected power converters (GCPCs), which are critical in integrating renewable energy into existing power grids. It explores the complexities of EMI in the context of GCPCs, particularly given the recent emergence of tailored EMC standards for these systems. The paper also highlights the shortcomings of applying generic or unrelated standards to GCPCs, often leading to inadequate compliance and testing protocols. Through a detailed analysis of existing standards and recent advancements in product-specific EMC requirements, this paper provides a comprehensive overview of the current landscape, offering guidance to stakeholders on navigating the intricate EMC compliance landscape, with a focus on methodologies, testing procedures, and the evolving regulatory environment for GCPCs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Computationally hard tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their resources for simulation, analysis, and data processing. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. Here in this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Coal-derived carbon anodes for lithium-ion batteries: Development, challenges, and prospects

Lithium-ion battery (LIB) development has increased rapidly, requiring low-cost anode materials with a high capacity, high-rate performance, and stable lifespan. Carbon-based anodes possess various exceptional morphologies and structures, making them promising candidates for meeting the technical demands; however, conventional synthetic carbon anode processes need expensive feedstocks that increase anode cost and limit commercialization. Coal, the most affordable and abundant carbon resource, has attracted increasing attention as the primary feedstock for producing high-value carbon anode materials. This article reviews the lithium storage mechanisms, characteristics, and productions of some high-valuable carbon anode materials for LIBs from coal and coal derivatives. The high-value carbon anode materials reviewed in this article are graphite, graphene, mesophase microbeads (MCMB), carbon fiber, and hard carbons. Furthermore, the remaining challenges and prospects of using coal-derived carbon materials to create high-performance and low-cost lithium-ion batteries are also discussed.

25 ENERGY STORAGE↗
DOE OSTI2026

Zinc batteries for grid-scale energy storage: Challenges, opportunities, and future directions

The global electricity sector is undergoing rapid transformation, increasing demand for reliable stationary energy storage and intensifying the need for safe, cost-effective, and scalable technologies for grid-scale applications. While lithium-ion batteries currently dominate the market, concerns over cost, safety, and resource availability motivate the exploration of alternative chemistries. Zinc-based batteries have emerged as a promising option due to the abundance, low cost, and wide geographic distribution of zinc, combined with the inherent safety of aqueous electrolytes. This perspective examines the potential of zinc batteries for stationary energy storage, with particular focus on rechargeable zinc-air systems. We discuss the evolution of zinc battery technologies and compare zinc-air, zinc-bromine, nickel-zinc, and aqueous zinc-ion chemistries, highlighting their advantages for grid applications. Key challenges limiting rechargeable zinc battery performance are analyzed, including dendrite formation and corrosion at the zinc anode, electrolyte degradation from carbonation and evaporation, and sluggish oxygen electrocatalysis at the air cathode. Emerging strategies to address these limitations are reviewed, including advanced electrode architectures, electrolyte engineering, catalyst development, and system-level design improvements. Lastly, we outline future research directions and opportunities for developing durable, efficient, and economically viable zinc-based energy storage systems for grid-scale applications.

Aqueous electrolytes↗
DOE OSTI2025

Substitutional doping of 2D transition metal dichalcogenides for device applications: Current status, challenges and prospects

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have emerged as a class of materials with exceptional electronic, optical, and mechanical properties, making them highly tunable for diverse applications in nanoelectronics, optoelectronics, and catalysis. Here, this review focuses on substitutional doping of TMDs, a key strategy to tailor their properties and enhance device performance, with a focus on its applications over the past five years (2019–2024). We delve into both theoretical and experimental doping approaches, including established methods like chemical vapor transport (CVT) and chemical vapor deposition (CVD) alongside liquid phase exfoliation (LPE) and post-synthesis treatments. Advanced growth techniques are also explored. Challenges like dopant uniformity, concentration control, and stability are addressed. The influence of various dopants on the electronic band structure, carrier concentration, and defect engineering is analyzed in detail. We further explore recent advancements in utilizing doped TMDs for field-effect transistors (FETs), photodetectors, sensors, photovoltaics, optoelectronic devices, energy storage and conversion, and even quantum computers. By examining both the potential and limitations of substitutional doping, this review aims to propel future research and technological advancements in this exciting field.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The carbon challenge: Design, synthesis, and chemisorption behavior of solid sorbents in direct air capture of carbon dioxide

Direct air capture (DAC) of CO 2 is a promising solution for reducing the carbon footprint through "negative emission" technology. However, the low CO 2 concentration (~400 ppm) and the dynamic nature of DAC processes present challenges in designing effective sorbent systems. Recent advancements in material design and structural engineering have led to the development of high-performance solid sorbents, offering a more stable, safe, and energy-efficient alternative to traditional liquid CO 2 capture methods. This review highlights progress in solid sorbent-based DAC, focusing on amine-modified materials, hydrogen-bonded frameworks, and ionic liquid-engineered scaffolds. The discussion covers design principles, synthesis methodologies, and their impact on CO 2 chemisorption, comparing the advantages and limitations of each approach. Characterization techniques, especially operando methods and computational tools, are reviewed to understand sorbent behavior during CO 2 integration and release. The reaction pathways and interaction mechanisms of these sorbents with CO 2 are analyzed to guide future design. Additionally, the CO 2 chemisorption behaviors, including capacity, sorption kinetics, recyclability, and durability in the presence of gaseous impurities and under humid conditions will be evaluated and compared. Further, the review offers unique insights into the physical properties, chemical structures, and surface engineering effects of these sorbents, based on comprehensive characterization and evaluation techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Generalist multimodal AI: A review of architectures, challenges and opportunities

Multimodal models are expected to be a critical component to future advances in artificial intelligence. Here, this field is starting to grow rapidly with a surge of new design elements motivated by the success of foundation models in natural language processing (NLP) and vision. It is widely hoped that further extending the foundation models to multiple modalities (e.g., text, image, video, sensor, time series, graph, etc.) will ultimately lead to generalist multimodal models, i.e. one model across different data modalities and tasks. However, there is little research that systematically analyzes recent multimodal models (particularly the ones that work beyond text and vision) with respect to the underling architecture proposed. Therefore, this work provides a fresh perspective on generalist multimodal models (GMMs) via a novel architecture and training configuration specific taxonomy. This includes factors such as Unifiability, Modularity, and Adaptability that are pertinent and essential to the wide adoption and application of GMMs. The review further highlights key challenges and prospects for the field and guide the researchers into the new advancements.

Artificial intelligence (AI)↗
DOE OSTI2025

Language models for materials discovery and sustainability: Progress, challenges, and opportunities

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI’s GPT-3.5/4 and the recent release of GPT-4.5, which have sparked a global surge of interest akin to an NLP gold rush. Here, in this article, we offer our perspective on the development and application of NLP and large language models (LLMs) in materials science. We begin by presenting an overview of recent advancements in NLP within the broader scientific landscape, with a particular focus on their relevance to materials science. Next, we examine how NLP can facilitate the understanding and design of novel materials and its potential integration with other methodologies. To highlight key challenges and opportunities, we delve into three specific topics: (i) the limitations of LLMs and their implications for materials science applications, (ii) the creation of a fully automated materials discovery pipeline, and (iii) the potential of GPT-like tools to synthesize existing knowledge and aid in the design of sustainable materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Price formation in zero-carbon electricity markets - fundamentals, challenges, and research needs

Future power systems dominated by zero-carbon generation resources may require significant revisions to electricity market designs to ensure capacity adequacy and market efficiency. Here, in this paper, we first conceptually outline key fundamentals underlying electricity market design and price formation in U.S. electricity markets. We then discuss a set of potential market design challenges related to price formation in a grid dominated by zero-carbon resources with marginal cost profiles that differ compared to traditional thermal resources. Next, we review electricity market design solutions that have been proposed in the literature to ensure market efficiency in zero-carbon systems, and the associated implications for price formation. We conclude by summarizing key observations and establishing a set of research questions that should be addressed to improve our understanding of market design, price formation, and market efficiency in zero-carbon power systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Hydrogen technology for maritime applications: A review of challenges, opportunities, and lessons from the port authority of New York and New Jersey

The maritime industry faces increasing demand for energy security, operational efficiency, and environmental performance improvements. Hydrogen technology, considered a potential energy carrier, is being explored for port operations, including cargo-handling equipment, heavy-duty vehicles, and stationary power systems. This review evaluates the feasibility, challenges, and potential benefits of hydrogen integration within port infrastructure, using the Port Authority of New York and New Jersey as a representative case study. Drawing on case studies, technical reports, and policy analyses, this study examines the infrastructural, regulatory, and operational factors influencing large-scale deployment, emphasizing supply chain development, storage requirements, and refueling infrastructure. By situating hydrogen within broader maritime energy transition efforts, this review provides an evidence-based assessment of its role in port operations and energy diversification strategies. In conclusion, the findings outline key barriers to adoption and emphasize the need for coordinated efforts among stakeholders to determine hydrogen's role alongside other emerging energy technologies.

08 HYDROGEN↗
DOE OSTI2026

Artificial intelligence methods for protein structure and interaction prediction: Recent advances and challenges

Recent advances in artificial intelligence have introduced novel methods for high-accuracy prediction of protein tertiary structures, protein complex structures, and interactions between proteins and other biomolecules, such as small molecules and nucleic acids. Such advancements are accelerating biomedical research and the development of new protein design and bioengineering methods among many other important biotechnology applications. Here, in this review, we outline the recent advances in protein-centric biomolecular structure and interaction prediction, highlight some major challenges in the field, and discuss potential directions to address them.

Morehead, Alex [Lawrence Berkeley National Laborat↗
DOE OSTI2025

Challenges in spatial metabolomics and proteomics for functional tissue unit and single-cell resolution

While transcriptomics is the most broadly applied technology for global spatial and single cell measurements in healthy and diseased tissues. Transcripts are often used as a proxy for protein and even metabolite measurements, but it has become commonly accepted that extrapolating this kind of information is a poor proxy and not a substitute for direct measurement. Within the last decade advanced developments of mass spectrometry-based assays have made these direct measurements not only possible, but routine. Where mass spectrometry has become an enabling technology, and various methods can now detect hundreds of metabolites and thousands of proteins from samples. Not only can this be performed within bulk measurements, but much effort has been directed into translating these measurements to single cells and tissues at cellular resolution. The information obtained from mass spectrometry is now able to trace metabolic events and decipher feedback loops across anatomical regions, connecting genetic and metabolic networks that define phenotypes. Herein, we will broadly overview developments in the field over the past decade, leading into several case studies which highlight the direct measurement of metabolites, proteins, and proteoforms from thinly sliced tissues. Much of this work is feasible due to multidisciplinary team science, and we offer brief perspective on paths forward and the challenges that persist with adoption and application of spatial omics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Challenges in integrating dissolved organic matter chemodiversity into kinetic models of soil respiration

The chemodiversity of dissolved organic matter (DOM) in soil has been proposed to influence the microbial metabolism and fate of belowground organic carbon (C). However, integrating DOM chemistry into soil C cycle models to improve predictions of C stocks and fluxes—beyond simply considering DOM pool size—remains a challenge. While recent research suggests that incorporating DOM chemodiversity into models can improve predictions of microbial respiration, there is still a lack of mechanistic understanding describing how DOM chemodiversity affects microbial metabolism and soil respiration. Here, we evaluated whether DOM chemodiversity was a determinant of soil respiration using paired measurements of high-resolution DOM chemistry, obtained from Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS), and potential soil respiration rates from across the United States (U.S.), all data provided by the Molecular Observation Network. Our objectives were to (1) assess statistical relationships between DOM chemodiversity and microbial respiration, and (2) evaluate the ability of kinetic models to leverage DOM chemistry to explain empirical relationships found in statistical models. Statistical regressions revealed that DOM chemodiversity (alpha diversity) was nonlinearly related to potential soil respiration rates, both independently and through its interactions with DOM and total C concentrations. In soils with relatively high DOM but low total C concentrations, potential soil respiration rates were negatively correlated with DOM alpha diversity, whereas in soils with relatively low DOM and high total C concentrations showed the opposite trend. However, when metabolic transition theory kinetic models were modified to include chemodiversity, their performance was comparable to traditional Monod kinetics approaches, which simulate respiration rates as a function of DOM concentration. The inability to account for nonlinearities in DOM chemodiversity–respiration relationships highlight an opportunity to advance substrate uptake kinetics by establishing causal links between DOM chemodiversity, microbial metabolism trade-offs, and potential interactions under varied environmental conditions.

Bioenergetic model↗
DOE OSTI2024

Conducting polymer-based electrochemical sensors: Progress, challenges, and future perspectives

Conducting polymers are promising due to their unique properties, such as excellent electrical and optical properties, physical and chemical stability, high conductivity, and effective redox properties with high-temperature stability and biocompatibility. Due to these properties, conducting polymers are useful in diverse applications like sensors, batteries, oil industries, biosensors, biomedicines, catalysis, cancer treatment, etc. This review article aims to discuss the recent trends and analysis of conducting polymer-based electrochemical sensors in diverse areas with all required sensor characteristics, such as the derived limit of detection, utilized techniques for the sensing analysis and derived linear dynamic range with the stability of the sensors. Conducting polymers and their nanocomposites-based electrochemical sensors have demonstrated exceptional capabilities towards detecting various biomolecules, heavy metals, pesticides, and viruses like SARS-COV-2. Incorporation of redox mediators, use of conducting hydrogels, and molecular imprinting are promising strategies for better performance of the derived sensor. The article has demonstrated the existing challenges and limitations and provided solutions in the field. In the future, conducting polymers-based electrochemical sensors can be utilized in wearable sensors and integrated with IoT devices for better reach in real-time applications. They can also be made more accessible with precise control and data output by following specific methodologies. Utilizing green and sustainable conducting polymers can be crucial in advancing eco-friendly practices in the future. Conducting polymer-based electrochemical sensors has affectivity in neurochemical and pathogen sensing, which is essential for brain function and mental health.

42 ENGINEERING↗
DOE OSTI2024

The Tribomechadynamics Research Challenge: Confronting blind predictions for the linear and nonlinear dynamics of a thin-walled jointed structure with measurement results

The present article summarizes the submissions to the Tribomechadynamics Research Challenge announced in 2021. The task was a blind prediction of the vibration behavior of a system comprising a thin plate clamped on two sides via bolted joints. Both geometric and frictional contact nonlinearities are expected to be relevant. Provided were the CAD models and technical drawings of all parts as well as assembly instructions. The main objective was to predict the frequency and damping ratio of the lowest-frequency mode as function of the amplitude. Many different prediction approaches were pursued, ranging from well-known methods to very recently developed ones. After the submission deadline, the system has been fabricated and tested. The aim of this article is to evaluate the current state of the art in modeling and vibration prediction, and to provide directions for future methodological advancements.

42 ENGINEERING↗
DOE OSTI2025

Special Issue: National Laboratories’ Safety Successes, Challenges, Research, and Approaches

In today’s world, volatility, uncertainty, complexity, and ambiguity─collectively referred to as VUCA─is demonstrably greater than before. VUCA is a concept first documented in U.S. Army War College records in the late 1980s to describe challenging and rapidly changing environments. In the VUCA world in which we work, we aim to leverage our colleagues’ knowledge as we push the envelope further. And we must do it now. I urge you to explore these invited articles, as well as those in the larger ACS Chemical Health & Safety collection, and continue innovating.

materials↗
DOE OSTI2025

Metal–Organic Frameworks as Catalysts for (De)Hydrogenation: Progress, Challenges, and Perspectives

Storing hydrogen through chemical bonding in liquid-organic hydrogen carriers (LOHCs) offers a safer and more practical approach for hydrogen transportation compared to physical liquefaction, which is limited by low volumetric efficiency and gas release. The efficiency of LOHC systems is highly dependent on effective catalysts, which are typically composed of transition metals supported on metal oxides. However, these materials often rely upon costly noble metals, and their nonuniform nature limits mechanistic insights and structure–function relationships that could improve catalyst design. Metal–organic frameworks (MOFs) are promising alternatives to existing catalysts due to their crystalline, tunable, and porous nature. However, their use as catalysts for (de)hydrogenation reactions remains largely underexplored. Related to this, we identify two general classes of MOFs reported as catalysts for (de)hydrogenation reactions: MOFs as scaffolds for catalytically active species and MOFs that function as reactive materials themselves. MOF composites anchor reactive nanoparticles or homogeneous species, imparting reactivity to the framework. The confinement effects experienced by the affixed species, combined with favorable substrate adsorption interactions or acid sites provided by the MOF, enhance the stability, selectivity, and activity of these catalysts for (de)hydrogenation reactions. Additionally, catalytically active MOFs often feature open metal sites at the node or undergo postsynthetic modification at either node or linker to impart reactivity. Here, taking inspiration from these materials, we outline the current state and key challenges of utilizing MOFs as (de)hydrogenation catalysts and propose research pathways to advance materials in this field for energy applications.

Catalysts↗
DOE OSTI2024

Incorporating Coverage-Dependent Reaction Barriers into First-Principles-Based Microkinetic Models: Approaches and Challenges

Mean-field microkinetic models (MKMs) are appealing for their relatively facile construction, computational tractability, and high-throughput catalyst screening capabilities. As such, they will continue to be a valuable tool for materials design in heterogeneous catalysis even as the field aims to describe more complex systems. Numerous prior reports have provided the groundwork for constructing first-principles-based MKMs, including the analysis of strategies for incorporating lateral interactions into thermodynamic parameters (e.g., adsorption energies). Yet, there remains a need for concerted dialogue on methods for calculating and incorporating coverage-dependent kinetic parameters into MKMs. In this Perspective, we assess strategies for doing so, including the corresponding key physical implications and computational challenges. Here, we emphasize that decoupling thermodynamic and kinetic parameters within MKMs can violate thermodynamic consistency and risk unphysical solutions. For some reactions and catalyst materials, scaling relationships can predict coverage-dependent activation energies, but there are several exceptions evident in the literature, indicating that this approach is not universally applicable and that the field could benefit from research aimed at elucidating the limitations. Conducting high-coverage transition state searches is a rigorous but computationally costly strategy, and the effects of various methods for mitigating this cost on resulting energetics have yet to be broadly explored and validated. The goal of this Perspective is to generate discussion on and inspire focused research into the physical relevance of approaches for describing coverage-dependent reaction barriers in MKMs, including the development of computationally tractable methodologies, to advance the applicability of MKMs across diverse reaction chemistries and conditions.

36 MATERIALS SCIENCE↗