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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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1,230 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Design Trade-Offs in Composite Fuel Cell Membranes: Effects of Reinforcement and Chemical Additives

Perfluorosulfonic acid (PFSA) membranes are critical components in proton exchange membrane fuel cells, where performance depends on balancing ionic conductivity, mechanical durability, and chemical stability. This study characterizes a composite membrane (NC700) featuring PFSA-impregnated expanded polytetrafluoroethylene (ePTFE) reinforcement and cerium-based radical scavengers, benchmarked against unreinforced NR211. Complementary techniques, including electron microscopy, X-ray scattering, infrared spectroscopy, thermogravimetric analysis, and dynamic mechanical analysis, identify the structural and compositional strategies employed in NC700. Water sorption isotherms reveal lower water uptake for NC700 across all conditions, attributed to reinforcement and cerium incorporation. Reinforcement reduces in-plane swelling from 11% to 2.1% at 90% RH, confirming strong swelling anisotropy, while maintaining mechanical properties at elevated temperatures. While the ionic conductivity of NC700 is approximately 10% lower than that of NR211, the reduced thickness yields a 40% decrease in calculated area-specific resistance, suggesting the composite architecture can favorably shift the conductivity-stability trade-off. The composite structure also reduces gas permeability, indicating potential for improved separator function alongside favorable transport properties. Systematic deconvolution of reinforcement and additive contributions shows that conductivity losses from cerium incorporation are largely offset by gains from the lower equivalent-weight polymer, providing quantitative relationships that may guide composite membrane design for fuel cells and other electrochemical applications.

25 ENERGY STORAGE↗
DOE OSTI2027

From zonal to nodal capacity expansion planning: Spatial aggregation impacts on a realistic test-case

Solving power system capacity expansion planning (CEP) problems at realistic spatial resolutions is computationally challenging. Thus, a common practice is to solve CEP over zonal models with low spatial resolution rather than over full-scale nodal power networks. Due to improvements in solving large-scale stochastic mixed integer programs, these computational limitations are becoming less relevant, and the assumption that zonal models are realistic and useful approximations of nodal CEP is worth revisiting. Here, this work is the first to conduct a systematic computational study on the assumption that spatial aggregation can reasonably be used for ISO-scale CEP. By considering a realistic, large-scale test network based on the state of California with over 8000 buses, we find that well-designed small spatial aggregations can yield good approximations but that coarser zonal models may result in large distortions of investment decisions, e.g., capacity under-investment of up to 41% for the lowest resolution model considered.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

CIEPAT for Photovoltaic System Resilience

The Cyber-Informed Engineering Photovoltaic Analysis Tool (CIEPAT) was developed in collaboration with the U.S. Department of Energy's Office of Cybersecurity, Energy Security, and Emergency Response (CESER). This tool is an energy source subcomponent integrated into the CIEMAT ecosystem and is developed to enhance the security and resilience of Photovoltaic installations by incorporating Cyber-Informed Engineering (CIE) principles into the deployment of PV systems.

14 SOLAR ENERGY↗
DOE OSTI2026

An integrated in-situ coordination strategy enabling high-performance layered cathodes for sodium-ion batteries

O3-type layered transition metal oxide cathodes hold tremendous potential in sodium-ion batteries (SIBs) due to their low cost and high energy density. However, the structure instability associated with detrimental phase transitions and severe interface parasitic reactions exacerbate the material's electrochemical performance degradation. Herein, we develop an integrated in-situ coordination strategy via heteroatomic modulation inducing coherent epitaxial layer to collaboratively enhance the overall framework robustness from surface to bulk. The theoretical calculation and multiple in/ex-situ characterizations demonstrate the charge density around oxygen is redistributed, which promotes the electron localization, thus widening the NaO 2 lattice space and accelerating the Na + transport dynamics. Furthermore, the formed strengthened oxygen bond energy effectively distributes the long-range coordination of Mn 3+ O 6 octahedron, thereby alleviating Jahn-Teller distortion and local stress. Importantly, the in-situ formed conformal buffer layer dramatically relieves the adverse interface side reactions, facilitating the construction of robust cathode-electrolyte interface, which ameliorate the whole structure stability of designed materials. Consequently, the optimized NFMZ@NZO-1.0 exhibits the excellent cycling stability with 80.2% capacity retention after 300 cycles at 1C, and delivers a high discharge capacity of 107.1 mAh g −1 at 10C. In conclusion, this distinctive coupling strategy provides valuable insights for developing high-performance layered cathode materials in SIBs.

Coherent epitaxial layer↗
DOE OSTI2022

Lithium-Ion Battery Design for Grid-Scale Energy Storage App

A software that delivers parameters from energy storage system (ESS) to container, rack, module and single cell design, as well as data analysis on arbitrage energy and frequency regulation of ESS in different regions, has been developed. The Lithium-ion Battery Design for Grid-scale Energy Storage App V1.0 has the capability to output the system, module and cell design with the energy, power, capacity, group method, cost of single cell, and single cell test protocol which break down from input energy storage system data in different regions. The default chemistry of the battery is LiFePO4 and graphite. The energy density of the graphite/LiFePO 4 pouch cell ranges from 100 Wh/kg to 200 Wh/Kg in the software. Graphite/LiFePO 4 pouch cell (up to 1Ah in lab) manufacturing line is also built and can be used to evaluate the test protocol, moreover, for electrolyte evaluation in other ESMI seedling projects. The software enables rapid prototyping to accelerate energy storage research, development, and manufacturing.

Liu, Dianying [Pacific Northwest National Laborato↗
DOE OSTI2026

Audible Noise Modeling of Hydrogen Release Sonic Hazards in Rail Maintenance Facilities

This study implemented validated literature models to predict audible noise due to pressurized gaseous hydrogen releases through a thermally-activated pressure relief device (TPRD) and attached vent stack. A literature survey discovered limited hydrogen-specific noise prediction models validated by experiments. However, empirical noise prediction models for air flowing through pipes and valves were identified. These empirical models were used to predict noise levels and compared against hydrogen noise data reported in two studies: one experimental study of noise from hydrogen leaking through a pipe and another which modeled hydrogen flowing through a solenoid valve during a fuel cell vehicle refueling. The valve flow model was then applied to predict noise for hydrogen releases through a TPRD. Results show that hydrogen releases through a TPRD can produce harmful noise levels varying from 134 to 150 dB. However, further model validation and additional experimental data are needed to improve prediction confidence and accuracy.

08 HYDROGEN↗
DOE OSTI2026

Comparative Assessment of Battery Carbon Footprint Calculation Frameworks to Support U.S. Battery Manufacturing

A “battery passport” is a digital record that provides comprehensive information about an individual battery across its life cycle. This concept has been introduced by Battery Regulation (EU) 2023/1542 [1], which applies to batteries for electric vehicles (EVs), industrial batteries with a capacities greater than 2 kWh, and batteries for light means of transport (LMT) greater than 2kWh sold in the European Union (EU) market – impacting manufacturers and exporters across multiple jurisdictions globally. Among its reporting mandates, a key feature of battery passports is the requirement for a carbon footprint (CF) calculation methodology supported by enhanced data granularity to enable traceable and verifiable CF results. While no other jurisdictions have yet adopted formal battery passport requirements like the EU’s, some are developing CF calculation methods to comply with the EU Battery Regulation or are creating CF-related regulations that could evolve in a similar direction, reflecting the growing importance of battery CF guidelines for manufacturers seeking to remain competitive in global markets.

Zhang, Jingyi [Argonne National Laboratory (ANL), ↗
DOE OSTI2026

Advanced blade-shaped thermal energy storage device: Development and application

Thermal energy storage (TES) using phase change materials (PCMs) is a promising approach for capturing and reusing excess thermal energy, yet widespread adoption is limited by low thermal conductivity, bulky configurations, and inadequate scalability. Here, this study presents a modular, blade-shaped TES prototype designed to address these challenges. The device integrates a lightweight aluminum shell, an embedded serpentine coil for active or passive heat exchange, and a cost-effective corrugated metal mesh for enhanced PCM thermal conductivity. With thickness-to-length and thickness-to-width ratios of 0.03 and 0.08, respectively, the blade-shaped TES achieves a compact, modular form factor suitable for space-constrained applications. Experimental testing demonstrated the efficient charge and discharge behavior of blade-shaped TES, capturing PCM superheating, phase-change transitions, and subcooling dynamics, with charging and discharging efficiencies of 94.9% and 94.6%, respectively. Also, the system can potentially achieve higher energy density than that of conventional TES designs. When integrated into a household refrigerator during the study, three blade-shaped TES modules successfully shifted 100% of peak-time compressor operation to off-peak hours, reducing energy consumption while maintaining more stable compartment temperatures. The blade-shaped TES's thin geometry, modularity, and enhanced thermal performance support scalable deployment across residential, commercial, and industrial applications, providing a versatile, cost-effective solution for high-efficiency, demand-flexible thermal energy management.

Blade-shaped↗
DOE OSTI2026

First-principles DFT modeling of nitrobenzene adsorption on the Ag(111) surface at varying monolayer coverages

Here, the adsorption behavior of nitrobenzene on the Ag(111) surface as a function of coverage is investigated using density functional theory. Adsorption energies and optimized geometries are analyzed together with isolated intermolecular interaction calculations and electronic structure analysis, including Bader charge partitioning and projected density of states, to disentangle the roles of adsorbate–surface bonding and through-space adsorbate–adsorbate interactions. At low and intermediate coverages (θ = 1/9 and θ = 2/9), bidentate adsorption at top sites is favored due to strong adsorbate–surface interactions, with additional stabilization at θ = 2/9 arising from favorable intermolecular separations. At higher coverage (θ = 1/3), bidentate adsorption is destabilized by strong intermolecular repulsion, and monodentate adsorption becomes energetically preferred as rotational freedom allows more favorable intermolecular spacing. Charge density differences, Bader charge, and density of states analyses show that charge transfer from the Ag surface is localized primarily on the nitro group and increases with coverage and adsorption denticity, although this increase does not directly correlate with adsorption strength at high coverage due to competing intermolecular interactions. These results demonstrate that surface coverage can induce a transition in preferred adsorption denticity driven by intermolecular interactions, highlighting the importance of adsorbate packing in organic molecule adsorption at metal interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Modeling a generic TRISO-fueled heat pipe microreactor using SCALE: Depletion, transportation criticality, and shielding

This paper demonstrates the applicability of the SCALE code system to tristructural-isotropic (TRISO)-fueled heat pipe microreactors through depletion, transportation criticality, and shielding analyses of a generic reference design. The study conducted supports US Nuclear Regulatory Commission code readiness efforts for advanced non–light-water reactor technologies and is intended as a code capability demonstration rather than as an optimization of a specific microreactor design. The modeled reactor employs high-assay low-enriched uranium (HALEU) uranium oxycarbide (UCO) TRISO fuel and beryllium oxide (BeO) reflectors and operates at 7.5 MWth with a nominal lifetime of about 3 effective full power years. Representative cases for fresh and irradiated cores were selected to exercise SCALE methods relevant to reactor operation and post-irradiation transport. The discharged-core decay heat is approximately 6% of operating power immediately after shutdown. Transportation criticality calculations show that internal water ingress is the dominant reactivity effect, with fully flooded fresh core and irradiated core configurations remain above the subcriticality criterion, even with the available control mechanisms. Shielding calculations for a simplified transportation package indicate that normal-condition dose rates are governed mainly by shielding thickness and cooling time, whereas the breached hypothetical accident case is governed primarily by cooling time. Overall, the study shows that SCALE supports depletion, transportation criticality, and shielding evaluations efficiently for TRISO-fueled heat pipe microreactors within a single code system.

Criticality↗
DOE OSTI2024

REDOTHERM (Redox Countercurrent Thermodynamic Limits Model) [SWR-24-88]

REDOTHERM is an open-source, MATLAB-based thermodynamic modeling framework developed to evaluate the performance of redox-active materials for water (H2O) and carbon dioxide (CO2) splitting. It includes models of all major unit operations and supports comparative analysis of different redox-active material candidates. The model is tailored for systems of moving oxide under a parallel/cocurrent flow (PF) and countercurrent flow (CF) configurations. Unvalidated mixed flow reactor (MFR, also known as CSTR) model is also included as an optional addition.

Lidor, Alon [National Renewable Energy Laboratory ↗
DOE OSTI2025

Phosphorylation toggles the SARS-CoV-2 nucleocapsid protein between two membrane-associated condensate states

Abstract The Nucleocapsid protein (N) of SARS-CoV-2 plays a critical role in the viral lifecycle by regulating RNA replication and by packaging the viral genome. N and RNA phase separate to form condensates that may be important for these functions. Both functions occur at membrane surfaces, but how N toggles between these two membrane-associated functional states is unclear. Here, we reveal that phosphorylation switches how N condensates interact with membranes, in part by modulating condensate material properties. Our studies also show that phosphorylation alters N’s interaction with viral membrane proteins. We gain mechanistic insight through structural analysis and molecular simulations, which suggest phosphorylation induces a conformational change in N that softens condensate material properties. Together, our findings identify membrane association as a key feature of N condensates and provide mechanistic insights into the regulatory role of phosphorylation. Understanding this mechanism suggests potential therapeutic targets for COVID infection.

Science & Technology - Other Topics↗
DOE OSTI2025

Self-generated electrokinetic flows from active-charged boundary patterns

We develop a hydrodynamic description of self-generated electrolyte flow in capillaries whose bounding walls feature nonuniform distributions of charge nonuniform active ionic fluxes. The hydrodynamic velocity arising in such a system has components that are forbidden by symmetry in the absence of charge and fluxes. However, when these two boundary mechanisms are simultaneously present, they can lead to a symmetry broken state where steady flows with both unidirectional and circulatory components emerge. We show that these flow states arise when modulated boundary patterns of charge and fluxes are offset by a flux-charge phase difference, which is associated with the separation between sites of their peak densities on the wall. Mismatch in diffusivity of cationic and anionic species can modify the flow states and becomes an enhancing factor when fluxes of both ion species are being produced together at the same site. We demonstrate that this mechanism can be realized with a microfluidic generator that is powered by enzyme-coated patches that catalyze reactants in the solution to produce fluxes of ions. The local ionic elevation or depletion, which disrupts a nonuniform double layer, promotes self-induced gradients yielding persistent body forces to generate bulk fluid motion. Our work quantifies a boundary-driven mechanism behind self-sustained electrolyte flow in confined environments that exists without any external bulk-imposed fields or gradients. It provides a theoretical framework for understanding the combined effect of active and charged boundaries that are relevant in biological or soft matter systems, and can be utilized in electrofluidic and iontronic applications.

active matter↗
DOE OSTI2025

Dynamic nanodomains dictate macroscopic properties in lead halide perovskites

Lead halide perovskites have emerged as promising materials for solar energy conversion and X-ray detection owing to their remarkable optoelectronic properties. However, the microscopic origins of their superior performance remain unclear. Here we show that low-symmetry dynamic nanodomains present in the high-symmetry average cubic phases, whose characteristics are dictated by the A-site cation, govern the macroscopic behaviour. We combine X-ray diffuse scattering, inelastic neutron spectroscopy, hyperspectral photoluminescence microscopy and machine-learning-assisted molecular dynamics simulations to directly correlate local nanoscale dynamics with macroscopic optoelectronic response. Our approach reveals that methylammonium-based perovskites form densely packed, anisotropic dynamic nanodomains with out-of-phase octahedral tilting, whereas formamidinium-based systems develop sparse, isotropic, spherical nanodomains with in-phase tilting, even when crystallography reveals cubic symmetry on average. We demonstrate that these sparsely distributed isotropic nanodomains present in formamidinium-based systems reduce electronic dynamic disorder, resulting in a beneficial optoelectronic response, thereby enhancing the performance of formamidinium-based lead halide perovskite devices. By elucidating the influence of the A-site cation on local dynamic nanodomains, and consequently, on the macroscopic properties, we propose leveraging this relationship to engineer the optoelectronic response of these materials, propelling further advancements in perovskite-based photovoltaics, optoelectronics and X-ray imaging.

Materials Science↗
DOE OSTI2025

Active Fluids Form System-Spanning Filamentary Networks

Recent experimental realizations of liquid-liquid phase separation of active liquid crystals have offered an insight into the interaction between phase separation, ubiquitous in soft matter and biology, and chaotic active flows. Here, in this Letter, we use continuum theory to examine phase separation of an active liquid crystal and a passive fluid and report two new results. First, we provide an analytical derivation of the activity-induced suppression of the phase boundary of the coexistence region—a result first reported in simulations and experiments. We show that the shift in the critical point is a result of the balance between self-stirring active flows and phase-separating diffusive fluxes. Second, we show that this same balance is responsible for dramatically changing the morphology of the phase separated state, resulting in the emergence of a new mixed active phase consisting of a dynamical filamentous active network that invades the entire system area, trapping droplets of passive material. This structure exists even for very low volume fractions of active material. Our work provides an important step towards the goal of understanding how to use activity as a new handle for sculpting interfaces.

active nematics↗
DOE OSTI2026

Effects of high-dose neutron irradiation at light-water reactor relevant temperature on the mechanical properties of SiC/SiC composites

For this study, the neutron dose-dependent evolutions and the underlying mechanisms of properties of SiC fiber-reinforced SiC matrix (SiC/SiC) composites at a temperature relevant to light-water reactors (∼600 K) were investigated and analyzed. Chemical vapor infiltrated (CVI) SiC/SiC composites reinforced with Hi-Nicalon Type S or Tyranno SA3 fiber were neutron-irradiated to doses up to 30 dpa. The irradiated composites retained their flexural strengths. The thermal diffusivity and dimensional changes were mostly retained from 2.0 to 30.2 dpa. Discrepancies in irradiation responses among CVI SiC/SiC composites from different sources were found. Additional microstructural analysis using Raman spectroscopy and numerical analysis on irradiation effect on residual stress were used to explain how the microstructural variables, especially of carbon interphases, affect the mechanical properties in the 30–40 dpa dose range.

Continuous fiber-reinforced ceramic matrix composi↗
DOE OSTI2025

Electricity Markets and Long-Duration Energy Storage: A Survey of Grid Services and Revenue Streams

Purpose of Review Long Duration Energy Storage (LDES) is increasingly viewed as a potential resource for providing grid services that enhance the stability and flexibility of electricity systems. While some LDES services are integrated into existing market frameworks, traditional mechanisms may not fully account for their operational characteristics, potentially leading to undervaluation. Within this context, this paper reviews the literature and industry practices to assess potential grid services for LDES, evaluates existing compensation mechanisms, and identifies challenges to full market integration. Recent Findings We first review existing literature and identify key grid services unique to LDES, including enhancing grid resilience during extreme weather events, enabling long-term energy shifting, and providing flexible and firm energy in systems with limited dispatchable resources. Here, we also review how LDES services are compensated in current market frameworks and the challenges associated with the full realization of LDES values. Additionally, we summarize market mechanisms for storage technologies across U.S. wholesale markets. We find that some markets are adjusting incentive structures, such as incorporating storage duration in capacity accreditation, to better align with system needs and LDES contributions to the grid. However, further refinements in capacity remuneration and dispatch timeframes may be needed for more effective realization of LDES value. Summary This review evaluates potential grid services for LDES, examines existing compensation mechanisms for LDES technologies, and identifies gaps between these mechanisms and LDES operational characteristics. The review concludes by outlining potential market enhancements for more effective LDES integration and articulating additional research needs to support its efficient participation in future power systems.

Flexible resources↗