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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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359 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Review of Shock, Vibration, and Other Tests for Type IV Hydrogen Composite Pressure Vessels for Rail Use

Requirements specific to hydrogen rail transportation and its unique components are currently not well represented in safety codes and standards. Notably, one of the most important components of the system, the hydrogen storage vessel, may be subject to entirely different shock and vibration conditions compared to hydrogen tanks on road vehicles. This report focuses on how composite hydrogen tanks are tested for performance and how this may relate to these tanks being used on rail systems. The shock and vibration testing procedures that are relevant for hydrogen composite tanks used for rail applications have been identified, as well as some general testing requirements for hydrogen tanks and composite tanks.

42 ENGINEERING↗
DOE OSTI2026

Robust and High Throughput Tools for Characterization of Wet Cellulosic Biogas Feedstocks and Co-Products: Cooperative Research and Development Final Report, CRADA Number CRD-21-21472

This project will develop standardized analytical procedures to support understanding of the chemical composition of wet manure feedstocks, and the digestate formed following anaerobic digestion of organic waste to produce renewable natural gas (RNG). The developed methods will be validated to improve component mass closure, eliminate ambiguities around key constituents, and document the precision and accuracy of the methods. Following validation of the analytical laboratory methods for characterization of wet organic waste feedstocks and digestate, NLR will use the same samples to build and validate near-infrared (NIR) models for high throughput analysis, potentially deployable at commercial facilities, enabling increased production of low carbon intensity RNG from wet organic wastes.

09 BIOMASS FUELS↗
DOE OSTI2024

Converting Second‐Order Saddle Points to Transition States: New Principles for the Design of 4π Photoswitches

Abstract Molecular photoswitches have demonstrated potential for storing solar energy at the molecular level, with power densities comparable to commercial batteries and hydroelectric energy storage. However, development of efficient photoswitches is hindered by limitations in cyclability and optical properties of existing materials. We here demonstrate that certain limitations in photoswitches based on electrocyclizations stem from the issue of controlling competition between Woodward‐Hoffmann allowed and forbidden pathways. Our approach moves beyond the traditional view of activation barriers and reveals that second‐order saddle points are crucial in dictating the competition between disrotatory and conrotatory pathways. These insights suggest new opportunities to manipulate the competition between these pathways through geometric constraints, fundamentally altering the connectivity of the potential energy surface. Our study also emphasizes the necessity of multi‐reference methods and the need to conduct higher‐dimensional explorations for competing pathways beyond photoswitch design.

Chemistry↗
DOE OSTI2026

Mechanistic Understanding of Interphase-driven Aging in Silicon Anodes

Conventional solid electrolyte interphases (SEIs) strongly adhere to micro-silicon (µ-Si) and crack under volume changes, causing poor cycling performance. Nano-silicon improves cycling performance but remains costly with limited calendar life. Here potentiostatic ageing tests demonstrate that both calendar and cycle ageing are governed by SEI cracking and dissolution with different relative contributions. When the system is not dominated by SEI dissolution, the relative calendar life of Si anodes could correlates positively with their cycle life. LiF-rich SEI that enables long cycle life in µ-Si is therefore expected to enhance calendar life as well. Using this framework, we screened electrolytes, SEIs and electrodes and validated them with full-cell storage. LiF-rich SEI minimizes cracking and dissolution, enabling μ-Si to achieve excellent calendar life, whereas nano-silicon suffers from SEI dissolution and needs reduced electrolyte–electrode contact for better calendar life. This work clarifies calendar-ageing behaviour and accelerates electrolytes and SEI development for long-life Si anodes.

Johnson, Christopher S.↗
DOE OSTI2026

Unlocking superplasticity in medium and high-entropy alloys

Superplasticity, the capacity of materials to sustain extraordinary tensile elongations at elevated temperatures, underpins a range of advanced metal-forming technologies. Conventionally, it is achieved in fine-grained alloys where deformation is dominated by grain-boundary sliding, accommodated by diffusion and dislocation activity. The advent of medium- and high-entropy alloys (M/HEAs), with their high chemical complexity and unconventional phase stability, offers new pathways to superplastic behavior beyond traditional alloy systems. Although investigated only recently, several M/HEAs already exhibit elongations that rival or exceed those of classical superplastic materials, particularly when ultrafine or metastable microstructures are engineered. Here, we review progress in understanding superplastic deformation in M/HEAs, emphasizing the interplay among composition, initial microstructure, thermomechanical processing, and microstructural evolution during high-temperature deformation. We discuss approaches to generating the fine-grained structures necessary for grain-boundary sliding, including severe plastic deformation and tailored heat treatments. We further highlight dynamic phenomena such as phase transformations, evolving grain-boundary chemistry, and deformation-induced grain refinement that can enhance plasticity in these systems. These mechanisms often shift the balance of deformation processes, enabling large elongations even outside classical criteria. Finally, we outline key challenges for application, including cost, scalability, recyclability, and microstructural stability.

klenam, Desmond [University of the Witwatersrand, ↗
DOE OSTI2026

The critical role of intrinsic defects and many-body interactions on the stability of MnBi2Te4

Intrinsic antisite defects pose a major challenge to understanding and predicting the exotic properties of the layered topological magnetic insulator MnBi2Te4 (MBT). In this work, we study the origin of the abundance of intrinsic defects in MBT, including many-body defect–defect interactions and many-body electronic correlations. Until now, ab initio methods have struggled to explain thermodynamic stability and properties influenced by defect behavior in MBT. We model native Mn–Bi antisite defects in MBT at finite temperatures using a cluster expansion that includes defect–defect interactions. To overcome the limitations of conventional density functional theory (DFT), we introduce a hybrid approach that incorporates high-accuracy quantum Monte Carlo (QMC) calculations, introducing missing correlations. This strategy allows for accurate estimation of defect energetics and finite-temperature properties. We compute the configurational free energy, defect concentration, and configurational heat capacity, revealing a second-order order–disorder phase transition near the experimental synthesis temperature. Our study provides the first theoretical insight into the thermodynamics of intrinsic defects in MBT. The negative free energy relative to pristine MBT at synthesis temperatures indicates that Mn–Bi antisite formation is thermodynamically spontaneous. We also present a broadly applicable general framework for correcting low-level theoretical theories using highly accurate many-body corrections from QMC.

Ghaffar, Abdul [ORNL] (ORCID:0000000241190168)↗
DOE OSTI2026

Queued Up: 2026 Edition, Characteristics of Power Plants Seeking Transmission Interconnection As of the End of 2025 [Slides]

Electric transmission system operators (ISOs, RTOs, or utilities) require proposed power plants seeking to connect to the transmission grid to undergo a series of impact studies before they can be built. This process establishes what new transmission equipment or upgrades may be needed before a project can connect to the system and assigns the costs of that equipment. The lists of projects in this process are known as “interconnection queues”. In collaboration with https://www.interconnection.fyi. Berkeley Lab compiled, aggregated, and cleaned interconnection queue data from >50 transmission grid operators (7 ISO/RTOs and 50 non-ISO balancing areas), which collectively represent ~98% of currently installed U.S. electric generating capacity.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Zero-field J-spectroscopy of quadrupolar nuclei

Abstract Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) allows molecular structure elucidation via measurement of electron-mediated spin-spinJ-couplings. This study examines zero-fieldJ-spectra from molecules with quadrupolar nuclei, exemplified by solutions of various isotopologues of ammonium cations. The spectra reveal differences between various isotopologues upon extracting preciseJ-coupling values from pulse-acquire measurements. A primary isotope effect,$$\triangle J=\left({\gamma }_{{}^{14}{{{{{\rm{N}}}}}}}/{\gamma }_{{}^{15}{{{{{\rm{N}}}}}}}\right){J}_{{}^{15}{{{{{\rm{N}}}}}}{{{{{\rm{H}}}}}}}-{J}_{{}^{14}{{{{{\rm{N}}}}}}{{{{{\rm{H}}}}}}}\approx -58$$ △ J = γ 14 N / γ 15 N J 15 N H − J 14 N H ≈ − 58 mHz, is deduced by analysis of the proton-nitrogenJ-coupling ratios. This study points toward further experiments with symmetric cations containing quadrupolar nuclei, promising applications in biomedicine, energy storage, and benchmarking quantum chemistry calculations.

Science & Technology - Other Topics↗
DOE OSTI2023

The UCLA Cosmochemistry Database

Abstract The UCLA Cosmochemistry Database was initiated as part of a data-rescue and -storage project aimed at archiving a variety of cosmochemical data acquired at University of California, Los Angeles (UCLA). The data collection includes elemental compositions of extraterrestrial materials analyzed by UCLA cosmochemists over the last five decades. The analytical techniques include atomic absorption spectrometry (AAS) and neutron activation analysis (NAA) at UCLA. The data collection is stored on the Astromaterials Data System (Astromat). We provide both interactive tables and downloadable datasheets for users to access all data. The UCLA Cosmochemistry Database archives cosmochemical data that are essential tools for increasing our understanding of the nature and origin of extraterrestrial materials. Future studies can reference the data collection in the examination, analysis, and classification of newly acquired extraterrestrial samples.

Science & Technology - Other Topics↗
DOE OSTI2026

Interactions Between Climate Policy and Technology-influenced Travel Behavior: Mitigating Induced Demand from CACC

Advances in vehicle technology have influenced the development of automated vehicle systems, where vehicles that do not require human intervention are already deployed in the roadway networks. While these advances are proved to increase roadway safety and highway capacity, more research is needed to understand the long-term and regional-level impacts on mobility, land use, energy consumption, and emissions. This study proposes a multi-model approach to analyze the effect of vehicle automation and deep decarbonization policies over a period from 2020 to 2040 in Austin, Texas. We use the Global Change Analysis Model (GCAM) to develop internally the scenarios that are then passed to the SMART Mobility modeling workflow, a large-scale simulation framework combining the POLARIS activity-based travel demand model and mesoscopic traffic simulator with the Autonomie vehicle energy consumption model and the UrbanSim land use simulator. Results suggest that the introduction of vehicles with advanced automation could increase fuel consumption when no decarbonization policies are implemented. Also, advances in vehicle technology research and development could lead to a decline in energy use in the long-term. Energy pricing and vehicle electrification incentives could help reduce the impact of vehicle automation. Finally, our analysis indicates the relevance of introducing land use processes in longterm vehicle automation studies.

land use↗
DOE OSTI2025

Unique Conductivity Behavior in Water-In-Salt Electrolytes Driven by Ion Clusters

Understanding and predicting ion transport in aqueous electrolytes are crucial for advanced energy storage and biophysics, and many emergent technologies yet remain elusive. Herein, we introduce a unified framework to quantitatively describe and predict electrolyte conductivity that shifts from conventional molar concentration-based metrics to a volume fraction-based approach. Through analyzing a variety of electrolyte solutions via this perspective, we observe a universal conductivity peak at a 37% volume fraction. Small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations reveal that nanometer-scale ion clusters drive this general behavior. Moreover, key geometric features of the ion transport pathwayssuch as pore size, tortuosity, and connectivityfollow a consistent dependence with respect to the volume fraction, reinforcing the argument for the universal conductivity trend. This paradigm shift opens new avenues for designing high-performance electrolytes and provides transformative insights for advancing studies in many fields, wherein molecular aggregates dictate transport properties.

Nguyen, Huong T. D.↗
DOE OSTI2025

pi-Extended Porphyrins: The Impact of Aromatic Heterocycles on the Properties of the Largely pi-Extended Structures (Final Report_UNT_SC0016766)

Largely π-extended carbon-rich materials represent fascinating yet challenging frontiers in chemistry and materials science as it offers numerous opportunities in molecular electronics. pi-Extended porphyrins possess unique set of electronic and photophysical properties and are very attractive for a wide range of applications. However, the synthesis and functionalization of pi-extended porphyrins had been very challenging. To explore and expand this intriguing research field, it is essential to develop synthetic tools to make them accessible. Funded by the Department of Energy Basic Energy Science, my laboratory addressed these synthetic challenges by developing concise and versatile methods for pi-extended porphyrins. Significant progress has been made in multiple directions, including fusing Polycyclic Aromatic Hydrocarbons (PAH), aromatic heterocycles, antiaromatic component, and cross-conjugated component to porphyrins as well as push-pull porphyrins. The availability of these methods has made it possible to rationally design and synthesize functionalized pi-extended porphyrins. Unprecedented electronic and photophysical properties have been discovered for these pi-extended porphyrins.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Estimating Return on Investment for Energy Technical Assistance Programs

The U.S. Department of Energy's Office of State and Community Energy Programs engaged the National Laboratory of the Rockies to assess the return on investment (ROI) of technical assistance (TA) programs that support state, local, and Tribal energy planning. Although TA delivers value through capacity building, stakeholder engagement, and knowledge transfer, these benefits are often intangible and challenging to monetize. This study reviews existing ROI frameworks and synthesizes the most relevant elements into a hybrid approach tailored to energy TA programs. The proposed framework integrates monetary and non-monetary outcomes through early logic model development, baseline data collection, and the use of proxies for intangible benefits. As a case study, this paper applies this approach to the Communities Local Energy Action Program (Communities LEAP), demonstrating how ROI can inform program design, data strategy, and performance assessment. Findings underscore that ROI should be applied selectively and planned from the outset to ensure data alignment and attribution accuracy. The framework offers TA practitioners a structured approach that can be leveraged for future programs to evaluate and communicate the multifaceted value of TA investments.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

High-voltage water-scarce hydrogel electrolytes enable mechanically safe stretchable Li-ion batteries

Soft Li-ion batteries, based on conventional organic electrolytes, face performance degradation challenges due to moisture penetration and safety concerns due to possible leakage of toxic fluorine compounds and flammable solvents under mechanical damage. We design a water-scarce hydrogel electrolyte with fluorine-free lithium salt to achieve wide electrochemical stability window (up to 3.11 volts) in ambient air without hermetic packaging while balancing high stretchability (1348%), ion conductivity (41 millisiemens per centimeter), and self-healing capabilities for mechanically and chemically safe stretchable Li-ion batteries. Molecular synergy between hydrophilicity and lithiophilicity of zwitterionic polymer backbone is revealed by molecular dynamics simulations. The battery exhibits capacity retention under harsh mechanical stresses—enduring stretching, twisting, folding, and multiple through-punctures by a needle—while self-healing from repeated through cuts by a razor blade. Stable ambient operation for 1 month over 500 charge-discharge cycles (average coulomb efficiency, 95%) is achieved. A prototype self-healing electronic system with embedded soft batteries demonstrates practical application as a durable embodied energy source.

Science & Technology - Other Topics↗
DOE OSTI2025

H 2 O and CO 2 Sorption in Ion-Exchange Sorbents: Distinct Interactions in Amine Versus Quaternary Ammonium Materials

This article examines how water (H₂O) and carbon dioxide (CO₂) interact with two classes of ion-exchange sorbents — a primary amine sorbent and a quaternary ammonium (QA⁺) sorbent — using calorimetry, thermal gravimetric analysis, gas analysis, and molecular modeling. Here, the QA⁺ sorbent exhibits stronger binding to both H₂O and CO₂ but also shows thermal stability limitations. Mixed-gas experiments reveal that humidity strongly influences CO₂ uptake and that moisture-driven sorbent regeneration enables cyclic moisture swing CO₂ capture, with implications for low-energy CO₂ separation from dilute gas streams.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Limited proteolysis of pea protein to promote aggregation/gelation: role of enzyme concentration and molecular characteristics

Limited proteolysis promotes aggregation/gelation of plant proteins, but its relationship with the molecular characteristics of hydrolysates remains poorly understood. In here, response surface methodology was employed to evaluate the effects of protein concentration, Alcalase level, and hydrolysis time on the storage modulus (G′) of pea protein hydrolysates (PPH). 7.5% protein, 1.65% Alcalase, and a 6-min reaction time resulted in the highest relative increase in G′ upon heating PPH, whereas both higher (3.55%) and lower (0.3%) Alcalase levels led to less increment. Increasing the Alcalase level increased the degree of hydrolysis while decreasing the molecular weight, surface hydrophobicity, and total sulfhydryl and disulfide bond contents of PPH. Confocal laser scanning microscopy and X-ray scattering analyses found PPH produced with 1.65% Alcalase formed interconnected aggregates with dual structural domains, but not at other Alcalase conditions. These results demonstrate the role of controlled proteolysis in governing the aggregation/gelation behavior of PPH.

X-ray scattering↗
DOE OSTI2026

Decadal-Scale Hydrothermal Alteration of Basalt: Implications for Long-Term Reactivity in Subsurface Technologies

Global demands to secure critical mineral supply chains and managing water resources require innovative resource management strategies. Subsurface basalt reservoirs offer a dual-purpose application, where CO2 enhanced critical metal recovery can be coupled with water remediation strategies for the extraction of economically important and environmentally relevant elements. This study utilizes static batch experiments conducted on Columbia River Basalt Group samples to evaluate long-term fluid–rock interactions relevant to coupled subsurface applications. Samples were reacted under elevated temperature and pressure conditions, for 296 and 4,061 days, providing a unique dataset to assess geochemical evolution, element partitioning, and aqueous chemistry over decadal timescales. The alteration was dominated by silicate, aluminosilicate, and oxide phases. Progressive hydrothermal alteration increased the cation exchange capacity through the formation of secondary minerals (e.g. clays and zeolites), influencing solute retention, ion exchange behavior, and aqueous chemistry. Grain-scale and bulk analyses revealed selective cation release and retention patterns, establishing a mechanistic baseline for predicting element mobility. These geochemical constraints inform the prospective use of CO2-enhanced metal recovery for critical resources (e.g. Co, Ni, Mn, Mg, Ti, Fe) and associated water-quality impacts, providing a foundation for the design and management of engineered fluid–rock systems in basalt reservoirs.

Gibson, Marie N.↗
DOE OSTI2025

A quantitative imaging framework for lithium morphology: Linking deposition uniformity to cycle stability in lithium metal batteries

Characterizing the morphology of lithium (Li) is crucial for developing long-lasting lithium metal batteries. It is well established that more uniform Li deposition correlates with better cell performance. Li morphology is often characterized through qualitative analysis of scanning electron microscopy (SEM) images; however, there are no widely accepted metrics to quantitatively describe deposition uniformity. Here, we propose a framework to quantify uniformity through SEM image analysis via the index of dispersion (ID) metric, which is defined and presented in the context of Li metal batteries. We also explore experimental impacts of sampling protocols onIDmeasurements. Our results demonstrate that theIDmetric is highly sensitive to variations in deposition uniformity, including the coexistence and uniformity of multiple morphologies, uniformity within a single morphology, and particle size distribution uniformity. Furthermore, it is demonstrated that uniformity, as measured by theID, can be related to the average potential of Li||Li symmetric cells over cycling. Higher capacity cycling leads to more pronounced changes in bothIDand average cell potential. Local minima/maxima are found consistently in bothIDand average cell potential immediately before cells short-circuit, which we suggest may indicate a collapse of the microstructure prior to failure. We put forward this framework as a more robust approach to quantify Li deposition uniformity, advancing the development of Li metal batteries that are safer and longer lasting.

Science & Technology - Other Topics↗