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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thermodynamic Constraints on Electromicrobial Protein Production

Global consumption of protein is projected to double by the middle of the 21st century. However, protein production is one of the most energy intensive and environmentally damaging parts of the food supply system today. Electromicrobial production technologies that combine renewable electricity and CO 2 -fixing microbial metabolism could dramatically increase the energy efficiency of commodity chemical production. Here we present a molecular-scale model that sets an upper limit on the performance of any organism performing electromicrobial protein production. We show that engineered microbes that fix CO 2 and N 2 using reducing equivalents produced by H 2 -oxidation or extracellular electron uptake could produce amino acids with energy inputs as low as 64 MJ kg −1 , approximately one order of magnitude higher than any previous estimate of the efficiency of electromicrobial protein production. This work provides a roadmap for development of engineered microbes that could significantly expand access to proteins produced with a low environmental footprint.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Dependable classical-quantum computing systems engineering

Increasing evidence suggests quantum computing (QC) complements traditional High-Performance Computing (HPC) by leveraging its unique capabilities, leading to the emergence of a new, hybrid paradigm, QHPC. However, this integration introduces new challenges, with dependability–defined by reproducibility, resiliency, and security and privacy–emerging as a central concern for building trustworthy systems that provide an advantage to the users. This paper proposes a framework for dependable QHPC system design, organized around these three pillars. We identify integration challenges, anticipate roadblocks, and highlight productive synergies across QC, HPC, cloud platforms, and network security. Drawing from both classical computing principles and quantum-specific insights, we present a roadmap for co-design that supports robust hybrid architectures. Our approach offers concrete metrics for assessing dependability, provides design guidance for engineers working at the QC-HPC interface, and surfaces new engineering questions around complexity, scale, and fault tolerance. Ultimately, designing for dependability is key to realizing practical, scalable QHPC systems and accelerating the broader quantum ecosystem capable of translating quantum promises into actual application delivery.

HPC↗
DOE OSTI2022

Astronauts Plasma-Derived Exosomes Induced Aberrant EZH2-Mediated H3K27me3 Epigenetic Regulation of the Vitamin D Receptor

There are unique stressors in the spaceflight environment. Exposure to such stressors may be associated with adverse effects on astronauts' health, including increased cancer and cardiovascular disease risks. Small extracellular vesicles (sEVs, i.e., exosomes) play a vital role in intercellular communication and regulate various biological processes contributing to their role in disease pathogenesis. To assess whether spaceflight alters sEVs transcriptome profile, sEVs were isolated from the blood plasma of 3 astronauts at two different time points: 10 days before launch (L-10) and 3 days after return (R+3) from the Shuttle mission. AC16 cells (human cardiomyocyte cell line) were treated with L-10 and R+3 astronauts-derived exosomes for 24 h. Total RNA was isolated and analyzed for gene expression profiling using Affymetrix microarrays. Enrichment analysis was performed using Enrichr. Furthermore, transcription factor (TF) enrichment analysis using the ENCODE/ChEA Consensus TF database identified gene sets related to the polycomb repressive complex 2 (PRC2) and Vitamin D receptor (VDR) in AC16 cells treated with R+3 compared to cells treated with L-10 astronauts-derived exosomes. Further analysis of the histone modifications using datasets from the Roadmap Epigenomics Project confirmed enrichment in gene sets related to the H3K27me3 repressive mark. Interestingly, analysis of previously published H3K27me3–chromatin immunoprecipitation sequencing (ChIP-Seq) ENCODE datasets showed enrichment of H3K27me3 in the VDR promoter. Collectively, our results suggest that astronaut-derived sEVs may epigenetically repress the expression of the VDR in human adult cardiomyocytes by promoting the activation of the PRC2 complex and H3K27me3 levels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Mechanistic insights to drive catalytic hydrogenation of formamide intermediates to methanol via deaminative hydrogenation

Amine-promoted hydrogenation of CO 2 to methanol typically proceeds via a formamide intermediate when amines are used as additives or if the hydrogenation is performed in carbon capture solvents. The catalysts used for the hydrogenation of the formamide intermediate dictate the selectivity of the products formed: 1) Deoxygenative hydrogenation (C–O bond cleavage) resulting in N-methylation of amine and deactivation of the solvent, 2) Deaminative hydrogenation (C–N bond cleavage) resulting in formation of methanol and regeneration of the solvent. To date, catalytic reductions of CO 2 with amine promoters suffer from poor selectively for methanol which we attribute to the limiting formamide intermediate, though to date, the conditions that favor C–N cleavage have yet to be fully understood. To better understand the reactivity of the formamide intermediates, a range of heterogenous catalysts were used to study the hydrogenation of formamide. Well-known gas phase CO 2 hydrogenation catalysts catalyze the hydrogenation of formamide to N-methyl product via C–O bond cleavage. However, the selectivity can be readily shifted to selective C–N bond cleavage by addition of an additive with sufficient basicity for both homogenous and heterogeneous catalytic systems. The base additive shifts the selectivity by deprotonating a hemiaminal intermediate formed in situ during the formamide hydrogenation. This prevents dehydration process leading to N-methylated product, which is a key capture solvent deactivation pathway that hinders amine use in carbon capture, utilization, and storage (CCUS). The findings from this study provide a roadmap on how to improve the selectivity of known heterogenous catalysts, enabling catalytic reduction of captured CO 2 to methanol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Marine Microeukaryote Metatranscriptomics: Sample Processing and Bioinformatic Workflow Recommendations for Ecological Applications

Microeukaryotes (protists) serve fundamental roles in the marine environment as contributors to biogeochemical nutrient cycling and ecosystem function. Their activities can be inferred through metatranscriptomic investigations, which provide a detailed view into cellular processes, chemical-biological interactions in the environment, and ecological relationships among taxonomic groups. Established workflows have been individually put forth describing biomass collection at sea, laboratory RNA extraction protocols, and bioinformatic processing and computational approaches. Here, we present a compilation of current practices and lessons learned in carrying out metatranscriptomics of marine pelagic protistan communities, highlighting effective strategies and tools used by practitioners over the past decade. We anticipate that these guidelines will serve as a roadmap for new marine scientists beginning in the realms of molecular biology and/or bioinformatics, and will equip readers with foundational principles needed to delve into protistan metatranscriptomics.

Cohen, Natalie R.↗
DOE OSTI2020

Near-Single-Cell Proteomics Profiling of the Proximal Tubular and Glomerulus of the Normal Human Kidney

Molecular assessments at the single-cell level can accelerate biological research by providing detailed assessments of cellular organization and tissue heterogeneity in both disease and health. The human kidney has complex multi-cellular states with varying functionality, much of which can now be completely harnessed with recent technological advances in tissue proteomics at a near single-cell level. We discuss the foundational steps in the first application of this mass spectrometry (MS) based proteomics method for analysis of sub-sections of the normal human kidney, as part of the Kidney Precision Medicine Project (KPMP). Using approximately 30-40 laser captured micro-dissected kidney cells, we identified more than 2500 human proteins, with specificity to the proximal tubular (PT; n=25 proteins) and glomerular (Glom; n=67 proteins) regions of the kidney and their unique metabolic functions. This pilot study provides the roadmap for application of our near-single-cell proteomics workflow for the analysis of other renal micro-compartments, on a larger scale, to unravel perturbations of renal sub-cellular function in the normal kidney as well as different etiologies of acute and chronic kidney disease.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Building MCP-native hierarchical AI scientist ecosystems: a perspective on scaling multi-agent scientific discovery

Large language models (LLMs) are evolving from chatbots with limited tool-using capabilities to agentic AI systems that can perform deep research, assist in proposing hypotheses, help design experiments, automate data analysis, and draft scientific reports. However, there are currently two bottlenecks limiting LLMs' real-world impact on the broader scientific research community beyond academic demonstrations: lack of interoperability (repetitive manual tool-integration is required across scenarios) and the need for scalable coordination (unstructured communication and memory become brittle as the number of agents grows). In this Perspective, we argue that the next phase of agentic scientific discovery requires the development of an ecosystem of protocol-native agents and tools organized through hierarchies inspired by human society, beyond the current paradigm of a single monolithic “AI scientist”. We use Model Context Protocol (MCP) as a concrete example of an emerging interoperability layer for scientific tool and context exchange, and we propose three complementary pathways to increase the scaling capabilities of an MCP-native scientific ecosystem by addressing the composability issues: (1) MCP servers for high-value scientific tools maintained by domain experts, (2) automated transformation of existing code repositories into MCP services, and (3) autonomous invention and evolution of new agents and workflows. Finally, we provide a practical roadmap for scaling AI-driven scientific discovery by expanding tool supply and coordination in MCP-native scientific ecosystems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Current Status of Single Particle Imaging with X-ray Lasers

The advent of ultrafast X-ray free-electron lasers (XFELs) opens the tantalizing possibility of the atomic-resolution imaging of reproducible objects such as viruses, nanoparticles, single molecules, clusters, and perhaps biological cells, achieving a resolution for single particle imaging better than a few tens of nanometers. Improving upon this is a significant challenge which has been the focus of a global single particle imaging (SPI) initiative launched in December 2014 at the Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, USA. A roadmap was outlined, and significant multi-disciplinary effort has since been devoted to work on the technical challenges of SPI such as radiation damage, beam characterization, beamline instrumentation and optics, sample preparation and delivery and algorithm development at multiple institutions involved in the SPI initiative. Currently, the SPI initiative has achieved 3D imaging of rice dwarf virus (RDV) and coliphage PR772 viruses at ~10 nm resolution by using soft X-ray FEL pulses at the Atomic Molecular and Optical (AMO) instrument of LCLS. Meanwhile, diffraction patterns with signal above noise up to the corner of the detector with a resolution of ~6 Ångström (Å) were also recorded with hard X-rays at the Coherent X-ray Imaging (CXI) instrument, also at LCLS. Achieving atomic resolution is truly a grand challenge and there is still a long way to go in light of recent developments in electron microscopy. However, the potential for studying dynamics at physiological conditions and capturing ultrafast biological, chemical and physical processes represents a tremendous potential application, attracting continued interest in pursuing further method development. In this paper, we give a brief introduction of SPI developments and look ahead to further method development.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional Theory

The spike protein (S-protein) is a crucial part of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), with its many domains responsible for binding, fusion, and host cell entry. In this review we use the density functional theory (DFT) calculations to analyze the atomic-scale interactions and investigate the consequences of mutations in S-protein domains. We specifically describe the key amino acids and functions of each domain, which are essential for structural stability as well as recognition and fusion processes with the host cell; in addition, we speculate on how mutations affect these properties. Such unprecedented large-scale ab initio calculations, with up to 5000 atoms in the system, are based on the novel concept of amino acid–amino acid-bond pair unit (AABPU) that allows for an alternative description of proteins, providing valuable information on partial charge, interatomic bonding and hydrogen bond (HB) formation. In general, our results show that the S-protein mutations for different variants foster an increased positive partial charge, alter the interatomic interactions, and disrupt the HB networks. We conclude by outlining a roadmap for future computational research of biomolecular virus-related systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

CCUS Perspectives: Assessing Historical Contexts, Current Realities, and Future Prospects

CCUS technologies are crucial solutions for mitigating climate change by reducing CO2 emissions from industrial operations and energy sectors. This review critically examines the current state of CCUS technologies, and highlights advancements, challenges, regulatory frameworks, and future directions. It comprehensively analyzes carbon capture methods, such as pre-combustion, post-combustion, and oxy-fuel combustion capture, while comparing their efficiencies and limitations. The review also explores carbon utilization techniques, such as direct and indirect utilization, emphasizing their potential applications and technological constraints. Additionally, it assesses various carbon storage methods, focusing on geological, ocean, and mineralization storage, and discusses their capacity, feasibility, and environmental implications. The study reviews the policy and regulatory frameworks, economic viability, market trends, and environmental sustainability of CCUS. By identifying research gaps and recommending future research priorities, this review aims to guide the development of more efficient/effective, and cost-effective CCUS technology, ensuring their role in a sustaining low-carbon future. This review provides a forward-looking perspective, a critical and interdisciplinary analysis that assesses the current state of CCUS technologies, and further provides a roadmap for future development.

Energy & Fuels↗
DOE OSTI2025

Underground Hydrogen Storage: Transforming Subsurface Science into Sustainable Energy Solutions

As the global economy moves toward net-zero carbon emissions, large-scale energy storage becomes essential to tackle the seasonal nature of renewable sources. Underground hydrogen storage (UHS) offers a feasible solution by allowing surplus renewable energy to be transformed into hydrogen and stored in deep geological formations such as aquifers, salt caverns, or depleted reservoirs, making it available for use on demand. This study thoroughly evaluates UHS concepts, procedures, and challenges. This paper analyzes the most recent breakthroughs in UHS technology and identifies special conditions needed for its successful application, including site selection guidelines, technical and geological factors, and the significance of storage characteristics. The integrity of wells and caprock, which is important for safe and efficient storage, can be affected by the operating dynamics of the hydrogen cycle, notably the fluctuations in pressure and stress within storage formations. To evaluate its potential for broader adoption, we also examined economic elements such as cost-effectiveness and the technical practicality of large-scale storage. We also reviewed current UHS efforts and identified key knowledge gaps, primarily in the areas of hydrogen–rock interactions, geochemistry, gas migration control, microbial activities, and geomechanical stability. Resolving these technological challenges, regulatory frameworks, and environmental sustainability are essential to UHS’s long-term and extensive integration into the energy industry. This article provides a roadmap for UHS research and development, emphasizing the need for further research to fully realize the technology’s promise as a pillar of the hydrogen economy.

25 ENERGY STORAGE↗
DOE OSTI2025

Agriculture’s Potential Regional Economic Contributions to the United States Economy When Supplying Feedstock to the Bio-Economy

The economic impact of obtaining biomass could become significant to U.S. rural economies via the establishment of a bioeconomy. In 2023, the Bioenergy Technologies Office (BETO) and Oak Ridge National Laboratory provided a road map to obtain over a billion tons of biomass for conversion to bioenergy and other products. Using information from this roadmap, this study estimates the potential positive and negative economic impacts that occur because of land use change, along with increased technological advances. This is achieved by using the input–output model, IMPLAN, and impacting 179 Bureau of Economic Analysis regions in the conterminous United States. Biomass included in the analysis comprises dedicated energy crops, crop residues, and forest residues. The analysis found that managing pastures more intensively could result in releasing land to produce dedicated energy crops on 30.8 million hectares, resulting in the production of 361 million metric tons of biomass. This, coupled with crop residues from barley, corn, oats, sorghum, and wheat (162 million metric tons), plus forest residues (41 million metric tons), provide 564 million dry metric tons of biomass. Assuming the price for biomass in 2023 dollars was USD 77 per dry metric-ton, this additional production results in an economic benefit for the nation of USD 619 billion, an increase from the Business As Is scenario (Baseline) of almost USD 100 billion per year, assuming a mature biomass industry. An additional 700,000 jobs are required to grow, harvest/collect, and transport the biomass material from the land.

ForSEAM↗
DOE OSTI2016

TBM/MTM for HTS-FNSF: An Innovative Testing Strategy to Qualify/Validate Fusion Technologies for U.S. DEMO

The qualification and validation of nuclear technologies are daunting tasks for fusion demonstration (DEMO) and power plants. This is particularly true for advanced designs that involve harsh radiation environment with 14 MeV neutrons and high-temperature operating regimes. This paper outlines the unique qualification and validation processes developed in the U.S., offering the only access to the complete fusion environment, focusing on the most prominent U.S. blanket concept (the dual cooled PbLi (DCLL)) along with testing new generations of structural and functional materials in dedicated test modules. The venue for such activities is the proposed Fusion Nuclear Science Facility (FNSF), which is viewed as an essential element of the U.S. fusion roadmap. A staged blanket testing strategy has been developed to test and enhance the DCLL blanket performance during each phase of FNSF D-T operation. A materials testing module (MTM) is critically important to include in the FNSF as well to test a broad range of specimens of future, more advanced generations of materials in a relevant fusion environment. The most important attributes for MTM are the relevant He/dpa ratio (10–15) and the much larger specimen volumes compared to the 10–500 mL range available in the International Fusion Materials Irradiation Facility (IFMIF) and European DEMO-Oriented Neutron Source (DONES).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Dipole Magnets Above 20 Tesla: Research Needs for a Path via High-Temperature Superconducting REBCO Conductors

To enable the physics research that continues to deepen our understanding of the Universe, future circular colliders will require a critical and unique instrument—magnets that can generate a dipole field of 20 T and above. However, today’s maturing magnet technology for low-temperature superconductors (Nb-Ti and Nb 3 Sn) can lead to a maximum dipole field of around 16 T. High-temperature superconductors such as REBCO can, in principle, generate higher dipole fields but significant challenges exist for both conductor and magnet technology. To address these challenges, several critical research needs, including direct needs on instrumentation and measurements, are identified to push for the maximum dipole fields a REBCO accelerator magnet can generate. We discuss the research needs by reviewing the current results and outlining the perspectives for future technology development, followed by a brief update on the status of the technology development at Lawrence Berkeley National Laboratory. We present a roadmap for the next decade to develop 20 T-class REBCO accelerator magnets as an enabling instrument for future energy-frontier accelerator complex.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Lanthanum Gadolinium Oxide: A New Electronic Device Material for CMOS Logic and Memory Devices

A comprehensive study on the ternary dielectric, LaGdO3, synthesized and qualified in our laboratory as a novel high-k dielectric material for logic and memory device applications in terms of its excellent features that include a high linear dielectric constant (k) of ~22 and a large energy bandgap of ~5.6 eV, resulting in sufficient electron and hole band offsets of ~2.57 eV and ~1.91 eV, respectively, on silicon, good thermal stability with Si and lower gate leakage current densities within the International Technology Roadmap for Semiconductors (ITRS) specified limits at the sub-nanometer electrical functional thickness level, which are desirable for advanced complementary metal-oxide-semiconductor (CMOS), bipolar (Bi) and BiCMOS chips applications, is presented in this review article.

metal-oxide-semiconductor↗
DOE OSTI2023

Quantum Key Distribution for Critical Infrastructures: Towards Cyber-Physical Security for Hydropower and Dams

Hydropower facilities are often remotely monitored or controlled from a centralized remote control room. Additionally, major component manufacturers monitor the performance of installed components, increasingly via public communication infrastructures. While these communications enable efficiencies and increased reliability, they also expand the cyber-attack surface. Communications may use the internet to remote control a facility’s control systems, or it may involve sending control commands over a network from a control room to a machine. The content could be encrypted and decrypted using a public key to protect the communicated information. These cryptographic encoding and decoding schemes become vulnerable as more advances are made in computer technologies, such as quantum computing. In contrast, quantum key distribution (QKD) and other quantum cryptographic protocols are not based upon a computational problem, and offer an alternative to symmetric cryptography in some scenarios. Although the underlying mechanism of quantum cryptogrpahic protocols such as QKD ensure that any attempt by an adversary to observe the quantum part of the protocol will result in a detectable signature as an increased error rate, potentially even preventing key generation, it serves as a warning for further investigation. In QKD, when the error rate is low enough and enough photons have been detected, a shared private key can be generated known only to the sender and receiver. We describe how this novel technology and its several modalities could benefit the critical infrastructures of dams or hydropower facilities. The presented discussions may be viewed as a precursor to a quantum cybersecurity roadmap for the identification of relevant threats and mitigation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The Financial Performance of Family versus Non-Family Firms Operating in Nautical Tourism

This article analyses the financial performance of family versus non-family firms operating in nautical tourism, in 2015–2019. The sample of 39 Portuguese companies was collected from the SABI database. We use a regression of financial performance, measured by three alternative proxies: return on assets, return on equity and operating profit margin, on liquidity, leverage, turnover of assets, asset structure, company size and age. The regressions are performed across Nuts II regions on mainland and across types of firms (family and non-family). The results uncover several patterns. First, family firms are larger and older, make higher investments and therefore are less liquid. Second, liquidity, leverage and investment in tangible assets impact negatively and significantly the corporate financial performance, while the turnover of assets, size and age impacts positively and significantly. Third, the sign of the impacts depends on the measure of performance. Finally, firms in the Northern region show superior performance, which can be explained by the higher share of family firms. These findings can serve as a roadmap for managers when selecting strategies to improve performance. Additionally, they will contribute to the understanding of tourism destination dynamics and competitiveness.

Santos, Eleonora (ORCID:0000000346930804)↗
DOE OSTI2025

Barriers and Benefits: Understanding Riders’ Views on Pooled Rideshare in the U.S.

This manuscript provides actionable recommendations to enhance user satisfaction and address existing barriers regarding pooled rideshare (PR) in the United States. Despite PR’s intended benefits, such as reduced traffic congestion and cost savings, its adoption remains limited. To identify these actionable items, a U.S. nationwide survey with 5385 participants explored transportation preferences, barriers, and motivators for PR use in the summer of 2021. First, two factor analyses were conducted. The first factor analysis identified the five factors associated with one’s willingness to consider PR (time/cost, traffic/environment, safety, privacy, and service experience). The second factor analysis revealed the four factors related to ways to optimize one’s PR experience (comfort/ease of use, convenience, vehicle technology/accessibility, and passenger safety). Privacy concerns, for instance, were found to reduce the likelihood of PR adoption by 77%, and convenience had the potential to increase it by 156%. A structural equation model evaluated the relationships among these nine key factors influencing PR usage to develop the Pooled Rideshare Acceptance Model (PRAM). The privacy, safety, trust service, and convenience factors each had a significant large effect (Cohen’s f 2 > 0.35) on the model. PRAM was extended using multigroup analyses to reveal the nuanced impact of 16 demographics, including gender, generation, rideshare experience, etc., highlighting the need for tailored strategies to improve PR acceptance through the Pooled Rideshare Acceptance Model Multigroup Analyses (PRAMMAs). Multiple workshops were held with diverse audiences to translate the team’s findings to date into 84 actionable recommendations, categorized across topical areas like safety, routing, driver and passenger selection, user education, etc. These findings are a foundation for a future study to determine which items resonate with different user groups. In the meantime, the actional items serve as a user-driven resource for policymakers, transportation network companies, and researchers, offering a roadmap to potential improvements to PR services to address existing concerns with the goal of increasing the usage of PR.

actionable recommendations↗