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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Strategic Pathways for Indigenous Resilient and Innovative Transportation

This presentation details the results of the project, titled Strategic Pathways for Indigenous Resilient and Innovative Transportation. The project culminated in a guidebook for Tribes interested in pursuing public EV charging infrastructure. The guidebook is designed to serve Tribal planners, Tribal departments of transportation, environmental offices, Tribal enterprises, Tribal utility authorities, Tribal leadership, and any other interested parties. The conference presentation will provide details on the engagement conducted during the project to inform the project publications. The presentation will also discuss Tribal sovereignty-related considerations for EV charging infrastructure topics including O&M and working with the electric utility.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Concept of Operations for Microreactor Transportation

Microreactors are very small nuclear reactors with a power output of 20 MWe or less and are designed to be factory-built, modular in nature, and highly portable. The Idaho National Laboratory (INL) has been identified as a potential location to demonstrate microreactors and two microreactor concepts currently under consideration for demonstration at the INL include a tristructural isotropic (TRISO) fueled high-temperature gas reactor and a sodium cooled reactor using a SNAP-10A style fuel pin design. The objective of this report is to identify a concept of operations (CONOPS) for shipping these microreactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-π Interaction, and Confinement

Understanding ion solvation and transport under confinement is critical for a wide range of emerging technologies, including water desalination and energy storage. While molecular dynamics (MD) simulations have been widely used to study the behavior of confined ions, considerable deviations between simulation results depending on the specific treatment of intermolecular interactions remain. In the following, we present a systematic investigation of the structure and dynamics of two representative solutions, that is, KCl and LiCl, confined in narrow carbon nanotubes (CNTs) with a diameter of 1.1 and 1.5 nm, using a combination of first-principles and classical MD simulations. Our simulations show that the inclusion of both polarization and cation-π interactions is essential for the description of ion solvation under confinement, particularly for large ions with weak hydration energies. Beyond the variation in ion solvation, we find that cation-π interactions can significantly influence the transport properties of ions in CNTs, particularly for KCl, where our simulations point to a strong correlation between ion dehydration and diffusion. Finally, our study highlights the complex interplay between nanoconfinement and specific intermolecular interactions that strongly control the solvation and transport properties of ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Tailoring Na⁺ Chelation Dynamics for Expedient Sulfur Redox Kinetics in Low‐Temperature Sodium–Sulfur Batteries

Sodium–sulfur (Na–S) batteries have attracted considerable attention due to their high theoretical energy density and the abundant natural availability of sodium and sulfur. However, sluggish kinetics of sulfur conversion, slow Na⁺ transport, and interfacial instability at low temperatures pose significant challenges for their operation and limit their practical application. Herein, three solvents with well-designed molecular configurations are examined. We systematically investigate the impact of chelation effect on the desolvation behavior, sulfur conversion process, ion dynamics, and Na⁺ plating/stripping behavior. Compared with conventional linear ether solvents, the incorporation of methyl groups not only weaken the chelation capability and tailors the inner solvation sheath, but also reduces the energy barrier for Na⁺ transport, thus promoting enhanced sulfur conversion kinetics under low temperature conditions. This work elucidates the relationship among solvent molecules, Na⁺ desolvation behavior, and sulfur reaction kinetics, and offers a strategy for rational design of electrolytes for low-temperature metal–sulfur batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Membrane protein reconstitution : New possibilities for structural biology, biophysical methods, and antibody/drug discovery

Nearly one-third of all proteins in eukaryotes are membrane proteins. Moreover, roughly 60% of Food and Drug Adminstration (FDA)-approved small-molecule drugs act on membrane proteins, which includes G protein–coupled receptors (GPCRs), ion channels, and transporters. Here, the vast majority of these membrane proteins are cell-surface accessible and thus amenable to drug discovery. At the same time, they are considerably more challenging to reconstitute and prepare for structure initiatives, antibody discovery, and drug screening. This series of reviews introduces the reader to current reconstitution systems, biophysical characterization of the membrane proteins and associated lipids, and common applications involving nuclear magnetic resonance (NMR), mass spectrometry (MS), and cryo-electron microscopy (cryo-EM).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Embedding Equity into Community EV Readiness Planning

When planning to incorporate electric vehicle (EV) infrastructure into your community, there are opportunities to weave in equity considerations. This will streamline the approval process for federal funding while ensuring no community member is left behind during this nationwide transition to low-emissions transportation options.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2021

Understanding fission gas bubble distribution, lanthanide transportation, and thermal conductivity degradation in neutron-irradiated α-U using machine learning

U—10Zr based metallic nuclear fuel is the leading candidate for next-generation sodium-cooled fast reactors in the United States. US research reactors have used and tested this fuel type since the 1960s and accumulated considerable experience and knowledge about the fuel performance. Most of the knowledge, however, remains empirical. The lack of mechanistic understanding of fuel performance puts a large burden on proof through experimental verification for the qualification of U—10Zr fuel for commercial use. Further, this paper proposes an image data-driven machine learning approach, coupled with domain knowledge provided by advanced post irradiation examination, to provide unprecedented quantified insights into the morphology, size, density and the connectivity of fission gas bubbles and their effects on the fission product transportation and thermal conductivity. Specifically, we developed a method to automatically detect, extract statistics, and classify ~19,000 fission gas bubbles into different categories, and quantitatively link the data to lanthanide transportation through connected bubbles and degradation of thermal conductivity along the radial temperature gradient in a neutron irradiated U—10Zr annular fuel. Results indicate the approach can be modified to study other irradiation effects, such as secondary phase redistribution and gaseous fuel swelling in other irradiated nuclear fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Heavy-Duty Hydrogen Station Equipment Performance Device (HD HyStEP) Specifications and Design Considerations

The original Hydrogen Station Equipment Performance (HyStEP) device was commissioned in 2015 and was critical for the rapid validation of light-duty (LD) hydrogen fueling stations. As applications for hydrogen as a heavy-duty (HD) transportation fuel continue to grow, new heavy-duty stations are being developed to fuel these vehicles that require larger onboard storage tank systems to meet HD transportation demands and drive cycles. The differences in size and geometry from LD vehicles have driven the creation of new hydrogen fueling protocols that will enable safe and economical fueling of HD vehicles. With the new requirements that are set out in HD fueling protocols like SAE J601-5, a new HyStEP-like device is needed to evaluate the capabilities of high-flow hydrogen stations to fuel HD vehicles to the new protocol standard. To create a heavy-duty HyStEP (HD HyStEP) device, an effort has been undertaken to evaluate the requirements that would form the basis for the design of a successful HD HyStEP device. The primary design goal of this HD HyStEP device is its capability of following a test methodology similar to what is outlined in CSA HGV 4.3, which guides the validation of LD fueling dispensers but with adjustments to verify adherence to the HD fueling protocols (SAE J2601-5) for 70 MPa and 35 MPa pressure class vehicles rather than the LD fueling protocols (SAE J2601). The design presented here aims to provide information that enables the creation of an HD HyStEP device that achieves the primary design goal while being informed by the years of experience from the current HyStEP operators.

08 HYDROGEN↗
DOE OSTI2023

Small Reactors in Microgrids: Technology Modeling and Selection (Net-Zero Microgrid Program Project Report)

This report demonstrates the capabilities of the net-zero microgrid (NZM) Xendee platform for modeling an SR module with electricity, heat extraction and thermal storage in microgrids configurations. The model effectively captures the most important technical and economic considerations for SR technology specific analysis: cost and operational characteristics of SR technology and financial costs and incentives. The model can analyze multiple scenarios to establish metrics for cost-competitive and zero-carbon microgrids connected to the grid or completely isolated. The model is fully integrated within the Xendee platform for modeling and analysis of clean energy microgrids with storage and generation from renewable energy sources. The model captures the capabilities, constraints, and nuances of SR by incorporating parameters related to plant economics, design efficiency and performance, plant operation and component and fuel lifespan. The cost and operational parameters modeled in the SR module are specific to the technology selected for integration in the microgrid. Cost parameters recognize advanced nuclear technology for modular production and installation based on economies of scale from factory manufacture and related commissioning, and cost reduction through technology maturation—first-of-a-kind (FOAK) and nth-of-a-Kind (NOAK). The cost parameters include installation, operations and maintenance (O&M), fuel refueling cycle, and reactor life. Installation cost reflects economies of scale due to unit sizing at scale and colocation. O&M economies of scale for both fixed- and variable-cost fuel life-cycle costs are incurred at every refueling interval, with separate front- and back-end fuel costs, as well as waste-handling and disposition costs. This report investigates key characteristics of different SR technologies suitable for microgrid applications, including design principles, sizing, coolant properties, temperature ratings, fuel structures, and life-cycle considerations. This also includes fuel technologies applicable to these SR systems, alongside strategies for nuclear-waste and spent-fuel management and approaches to address safety, security, and proliferation challenges. Four primary groups of SR technologies are examined: water-cooled, liquid-metal-cooled, high-temperature gas-cooled, and molten-salt-cooled systems. In this report, an initial guideline for technology selection is established, aligning the characteristics of the technologies with the requirements of microgrids. The selection of technology in a microgrid is influenced by various factors, including financial capacity, location and accessibility, demand type and characteristics, reliability and resilience requirements, area constraints, and the lifespan of the microgrid. The types of electrical and non-electrical applications within the microgrid also play a significant role in technology selection. The characteristics of SRs, such as their smaller size, modularity, transportability, long refueling interval, improved safety features, ability to operate in autonomous or semi-autonomous mode, and provision of high-grade heat, are particularly appealing for microgrids. Furthermore, a list of considerations for implementing SRs in microgrids is outlined. The SR model is created to be continuously improved with the acquisition of actual data on investment and operational costs, experience with supply chains, production at scale, and field deployments. In the near term, performance data on applications in microgrids will become available from lessons learned from laboratory tests, such as those planned for the Microreactor Applications Research Validation and Evaluation Project (MARVEL), led by Idaho National Laboratory (INL). The SR model incorporates scenario data and known SR design specifications, enabling technoeconomic analysis for SR deployment in microgrids. It specifically considers the distinctive attributes of SRs as generators in technoeconomic studies. SRs can be modeled and analyzed with generation from renewable-energy sources, energy storage, and flexible loads over a range of functionality and applications. This offers a comprehensive tool for feasibility studies, scenario development, and sensitivity analysis for “what-if” consideration of any range of assumptions about SRs in microgrids and other aggregations of distributed-energy resources, including virtual power plants.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Molecular Dynamics Simulation Study of the Protonation State Dependence of Glutamic Acid Transport through a Cyclic Peptide Nanotube

The effect of the protonation state of glutamic acid on its translocation through cyclic peptide nanotubes (CPNs) was assessed by using molecular dynamics (MD) simulations. Anionic (GLU–), neutral zwitterionic (GLU0), and cationic (GLU+) forms of glutamic acid were selected as three different protonation states for an analysis of energetics and diffusivity for acid transport across a cyclic decapeptide nanotube. Based on the solubility-diffusion model, permeability coefficients for the three protonation states of the acid were calculated and compared with experimental results for CPN-mediated glutamate transport through CPNs. Potential of mean force (PMF) calculations reveal that, due to the cation-selective nature of the lumen of CPNs, GLU–, so-called glutamate, shows significantly high free energy barriers, while GLU+ displays deep energy wells and GLU0 has mild free energy barriers and wells inside the CPN. The considerable energy barriers for GLU– inside CPNs are mainly attributed to unfavorable interactions with DMPC bilayers and CPNs and are reduced by favorable interactions with channel water molecules through attractive electrostatic interactions and hydrogen bonding. Unlike the distinct PMF curves, position-dependent diffusion coefficient profiles exhibit comparable frictional behaviors regardless of the charge status of three protonation states due to similar confined environments imposed by the lumen of the CPN. The calculated permeability coefficients for the three protonation states clearly demonstrate that glutamic acid has a strong protonation state dependence for its transport through CPNs, as determined by the energetics rather than the diffusivity of the protonation state. In addition, the permeability coefficients also imply that GLU– is unlikely to pass through a CPN due to the high energy barriers inside the CPN, which is in disagreement with experimental measurements, where a considerable amount of glutamate permeating through the CPN was detected. To resolve the discrepancy between this work and the experimental observations, several possibilities are proposed, including a large concentration gradient of glutamate between the inside and outside of lipid vesicles and bilayers in the experiments, the glutamate activity difference between our MD simulations and experiments, an overestimation of energy barriers due to the artifacts imposed in MD simulations, and/or finally a transformation of the protonation state from GLU– to GLU0 to reduce the energy barriers. Altogether, our study demonstrates that the protonation state of glutamic acid has a strong effect on the transport of the acid and suggests a possible protonation state change for glutamate permeating through CPNs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tunable Microwave Conductance of Nanodomains in Ferroelectric PbZr 0.2 Ti 0.8 O 3 Thin Film

Ferroelectric materials exhibit spontaneous polarization that can be switched by electric field. Beyond traditional applications as nonvolatile capacitive elements, the interplay between polarization and electronic transport in ferroelectric thin films has enabled a path to neuromorphic device applications involving resistive switching. A fundamental challenge, however, is that finite electronic conductivity may introduce considerable power dissipation and perhaps destabilize ferroelectricity itself. In this work, tunable microwave frequency electronic response of domain walls injected into ferroelectric lead zirconate titanate (PbZr 0.2 Ti 0.8 O 3 ) on the level of a single nanodomain is revealed. Tunable microwave response is detected through first-order reversal curve spectroscopy combined with scanning microwave impedance microscopy measurements taken near 3 GHz. Contributions of film interfaces to the measured AC conduction through subtractive milling, where the film exhibited improved conduction properties after removal of surface layers, are investigated. Using statistical analysis and finite element modeling, we inferred that the mechanism of tunable microwave conductance is the variable area of the domain wall in the switching volume. These observations open the possibilities for ferroelectric memristors or volatile resistive switches, localized to several tens of nanometers and operating according to well-defined dynamics under an applied field.

36 MATERIALS SCIENCE↗
DOE OSTI2024

SimCCS 3.0 User GUIDE

Carbon Capture and Storage (CCS) is an important technology aimed at reducing CO 2 emissions and contributing to the mitigation strategies of climate change. The process involves three main steps: CO 2 capture, transport, and storage. Specifically, CO 2 is captured from industrial facilities, such as coal-fired power plants and natural gas processing plants. It is then transported through infrastructure networks, such as pipelines, rails, and ships, and injected into underground geological formations, such as depleted oil and gas reservoirs or deep saline aquifers, for permanent storage. The entire CCS value chain encompasses multiple components, including CO 2 sources, transport networks, and storage sites. The proper design of CCS transport infrastructure is an essential step for the deployment of CCS technology. However, the design is not a trivial process, as it presents many challenges and requires consideration of numerous economic, social, and environmental factors.

42 ENGINEERING↗
DOE OSTI2025

A Life Cycle Analysis Framework for Point Source Capture Systems

NETL studies the costs and benefits of PSC for electricity, industry, and mobile applications. Mobile point source capture (MPSC) and storage applied to freight modes captures emissions directly from exhaust. This poster presents a framework for conducting LCA of PSC systems applied to heavy-duty trucks, freight trains, and marine vessels. The framework defines a wheels-to-storage (gate-to-grave) boundary, including energy demands (electricity, heat, and cooling requirements), solvent use and cycling, onboard system components, carbon storage in a saline aquifer, and upstream manufacturing impacts for equipment, with a suggested functional unit of 1 tonne-km. Potential data sources for analysis include material, energy, and operational data from Oak Ridge National Laboratory, GREET (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model, and scientific literature. The suggested analytical approach includes comparison to publicly available business-as-usual systems without capture across all modes of transportation, sensitivity to composition of the capture solvent, and sensitivity to capture rate variation, all of which would support a wholistic PSC business case analysis. For future consideration, analysis can be augmented with consideration of different sources of electricity (e.g., nuclear), fuel substitution, deploying supportive infrastructure such as pipeline offloading points, and downstream applications like enhanced oil recovery (EOR).

life cycle analysis (LCA)↗
DOE OSTI2026

Mobility Hubs: Workforce Landscape Assessment, Development Opportunities, and Local Transportation Planning

Through the U.S. Department of Energy's Energy to Communities (E2C) program, NLR, other national laboratory experts, and select organizations provide Expert Match - free, short-term technical assistance to address near-term energy challenges and questions. Expert Match is for community stakeholders who have decision-making power or influence in their community but need access to additional energy expertise to inform key upcoming decisions. This Expert Match request supported Equticity in Chicago, IL with an analysis workforce development considerations and opportunities and is intended to support decision-making on micromobility initiatives.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Evolving Electricity Supply and Demand to Achieve Net-Zero Emissions: Insights from the EMF-37 Study

This paper explores the role of electricity in achieving economy-wide net-zero CO2 emissions by 2050 in the United States based on results from 17 models as part of the 37th Stanford Energy Modeling Forum (EMF-37). In the study's Net-Zero scenario, the models use diverse pathways to achieve net-zero emissions by 2050, with gross energy-related residual emissions ranging from 17.2 to 66.6 % of 2020 levels. Electricity consistently emerges as central to achieving net-zero, with models projecting rapid electrification of end-uses and rapidly declining CO2 intensity of electricity. However, the extent of electrification and the technology mix to decarbonize the power sector vary considerably across models. In the Net-Zero scenario, electricity is projected to evolve from ~20 % of final energy in 2020 to 17-63 % in 2050 across the models driven by electrification in all sectors-buildings, industry, and transportation-and, to a lesser extent by direct air capture. By 2050, total electricity consumption increases by 24-176 % (relative to 2020), accompanied by significant expansion in renewable electricity production. Together, solar and wind generation grows by 175-834 %, supplying 45-90 % of total electricity in 2050, with wind achieving slightly higher shares than solar. Electricity storage technologies are deployed at scale to support wind and solar generation. The electricity generation mix varies across models: some project almost complete reliance on renewables, while others see a substantial role for natural gas, often with carbon capture and storage. This paper synthesizes the rich diversity of modeling approaches and results, highlighting differing views on how key drivers of electricity demand and supply might evolve.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Exposure pathways and bioaccumulation of per- and polyfluoroalkyl substances in freshwater aquatic ecosystems: Key considerations

We report that due to the bioaccumulative behavior, toxicity, and recalcitrance to degradation, per- and polyfluoroalkyl substances (PFAS) are a focus for many researchers investigating freshwater aquatic ecosystems. PFAS are a diverse set of chemicals that accumulate and transport quite differently in the environment depending on the length of their fluoroalkyl chains and their functional groups. This diversity in PFAS chemical characteristics combined with varying environmental factors also impact the bioaccumulation of these compounds in different organisms. In this review, we evaluate environmental factors (such as organic carbon, proteins, lipids, and dissolved cations) as well as PFAS characteristics (head group, chain-length, and concentration) that contribute to the significant variation seen in the literature of bioaccumulation metrics reported for organisms in aquatic ecosystems. Of the factors evaluated, it was found that PFAS concentration, dissolved organic matter, sediment organic matter, and biotransformation of precursor PFAS tended to significantly impact reported bioaccumulation metrics the most. Based on this review, it is highly suggested that future studies provide sufficient details of important environmental factors, specific organism traits/ behavior, and PFAS concentrations/compounds when reporting on bioaccumulation metrics to further fill data gaps and improve our understanding of PFAS in aquatic ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Ion Correlations and Partial Ionicities in the Lamellar Phases of Block Copolymeric Ionic Liquids

Recently, significant interest has arisen on the impact of dynamical ion correlations on the conductivity and transport properties of polymeric electrolyte materials. It has been hypothesized that confining ion motion to narrow channels may reduce such ion correlations and enhance the resulting ionic conductivity. Motivated by such considerations, in this study we used a multiscale simulation framework to study the dynamical ion correlations in the microphase-separated lamella phase of block copolymeric ionic liquids and compare with the corresponding results for homopolymeric systems. We probed the influence of ion correlations through the partial ionicity, Δ, which quantifies the ratio of true conductivity to the ideal, Nernst–Einstein conductivity for the anion-related contributions. Consistent with our original hypothesis, our results demonstrate that the partial ionicity relating to the mobile anions is much larger in the lamella phases of block copolymers compared to that in homopolymers. Analysis of the distinct conductivity contributions demonstrates that such results arise as a result of an intricate compensation among the nonideal dynamical correlations relating to anions in lamella phases. Overall, our results suggest that self-assembled phases of block copolymers may provide an avenue to tune the dynamical ion correlations in polymer electrolyte systems.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Neutronics Calculation Advances at Los Alamos: Manhattan Project to Monte Carlo

The history and advances of neutronics calculations at Los Alamos during the Manhattan Project through the present are reviewed. Substantial improvements to neutron diffusion methods and the invention of both the Monte Carlo neutron transport methods in 1947 and deterministic discrete ordinates Sn in 1953 were all made at Los Alamos just after the Manhattan Project. We briefly summarize early simpler and more approximate neutronics methods and then describe the need to better predict neutronics behavior through consideration of theoretical equations, models and algorithms, experimental measurements, and available computing capabilities and their limitations. This paper briefly covers key advances in deterministic methods during the Manhattan Project. These capabilities, coupled with increasing postwar defense needs and the invention of electronic computing with the Electronic Numeric Integrator and Computer, known as ENIAC, and the Mathematical Analyzer Numerical Integrator and Automatic Computer Model, known as MANIAC, led to the creation of Monte Carlo and deterministic discrete ordinates neutronics transport methods. We note the important role that the scientific comradery between the Los Alamos scientists played in the process. This paper briefly covers the early methods, algorithms, computers, and electronic and women pioneers that enabled Monte Carlo to spread to all areas of science. We focus heavily on these early developments and the subsequent creation of the MCNP® code, advances in its associated nuclear data, and its applications to problems of national defense at Los Alamos.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗