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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Efficacy of the Method of Four Coefficients to Determine Charge-Carrier Scattering

The investigation of the electronic properties of semiconductors from transport measurements (i.e., resistivity, Hall, and Seebeck coefficient measurements) is challenging due to the averaging of charge-carrier dynamics inherent in such measurements. Here, we investigate the incorporation of a fourth measurement of electronic transport, the Nernst coefficient, into the analysis, termed the method of four coefficients. This approach yields the Fermi level, effective mass, scattering exponent, and relaxation time prefactor. We begin with a review of the underlying mathematics and investigate the mapping between the four-dimensional material property and transport coefficient spaces. We then investigate how the traditional single-parabolic band method yields a single, potentially incorrect point on the solution subspace. This uncertainty can be resolved through Nernst coefficient measurements and we map the span of the ensuing subspace. We conclude with an investigation of how sensitive the analysis of transport coefficients is to experimental error for different sample types.

charge carriers↗
DOE OSTI2024

FitIsoAndDeff and DeffCalculator Matlab Codes

These codes estimate effective diffusivity for species transport in materials and simultaneously fit multiple temperatures of measured isotherm and effective diffusivities for sorption transport of species through materials. Assumes triple-mode type sorption thermodynamics with mobile and immobile species in quasi-equilibrium.

Foley, BrandonR↗
DOE OSTI2021

Personal Interventions for Reducing Exposure and Risk for Outdoor Air Pollution: An Official American Thoracic Society Workshop Report

Poor air quality affects the health and wellbeing of large populations around the globe. Although source controls are the most effective approaches for improving air quality and reducing health risks, individuals can also take actions to reduce their personal exposure by staying indoors, reducing physical activity, altering modes of transportation, filtering indoor air, and using respirators and other types of face masks. A synthesis of available evidence on the efficacy, effectiveness, and potential adverse effects or unintended consequences of personal interventions for air pollution is needed by clinicians to assist patients and the public in making informed decisions about use of these interventions. To address this need, the American Thoracic Society convened a workshop in May of 2018 to bring together a multidisciplinary group of international experts to review the current state of knowledge about personal interventions for air pollution and important considerations when helping patients and the general public to make decisions about how best to protect themselves. From these discussions, recommendations were made regarding when, where, how, and for whom to consider personal interventions. In addition to the efficacy and safety of the various interventions, the committee considered evidence regarding the identification of patients at greatest risk, the reliability of air quality indices, the communication challenges, and the ethical and equity considerations that arise when discussing personal interventions to reduce exposure and risk from outdoor air pollution.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

OTERR User Manual

OTERR (Optimization of TEst Reactor Reloading) is a software tool created to assist in the determination of optimal fuel reloading patterns for test reactors. The intended application is for the Versatile Test Reactor (VTR) program, but it provides functions that could be useful for analysis and optimization of many types of fast reactors. OTERR does not perform neutron/gamma transport, heat transfer, thermal hydraulics, or depletion calculations. Instead, it acts as a wrapper around codes that provide these capabilities, with a native genetic algorithm optimization capability. At this time, wrapping is only implemented for Argonne Reactor Computation (ARC) codes DIF3D, REBUS, and GAMSOR, and SE2-ANL. OTERR also has capabilities to facilitate input creation for DASSH, a thermal hydraulics code similar to SE2- ANL being developed for the VTR program.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Development of a Helical Closure for Radioactive Material Shipping Packages

Radioactive Material (RAM) Packagings Used to transport radioactive material • Weapons components • Medical isotopes • Spent nuclear fuel • Etc. • Packages must adhere to 10 CFR 71 which drive to NUREGs, ASME codes, etc. • Transport Index (A2 values) determine if a package is Type A, Type AF, Type B, Type B(U)F

Housley, William M. [Savannah River National Labor↗
DOE OSTI2025

Vehicle-Cycle Inventory for Type C School Buses & Intra-City Transit Buses

This report documents the new inventory incorporated into the Research and Development version of Greenhouse gases, Regulated Emissions, and Energy use in Technologies (R&D GREET) 2025 model for the vehicle cycle of Type C school buses and intracity transit buses. The transportation sector contributes significantly to the United States’ energy consumption and resultant emissions (EPA, 2025a). However, public transit plays an important role in mitigating these impacts because it consumes a relatively low amount of energy per passenger (Congressional Budget Office, 2022). Public transit is widely used in the United States; more than 500,000 school buses (EPA, 2025b) and ~75,000 service buses (American Public Transportation Association, 2025) operate in the nation. These are primarily internal combustion engine vehicles (ICEVs) powered by diesel. Original equipment manufacturers (OEMs) are making efforts to electrify U.S. bus fleets by using batteries as a propulsion system to replace internal combustion engines. Electrification can reduce tailpipe emissions, such as particulate matter (with a diameter ≤10 µm [PM 10 ] and with a diameter ≤2.5 µm [PM 2.5 ]) and nitrogen oxides (Jonas et al., 2025; Martinez and Samaras, 2024; EPA, 2025b; Wayne et al., 2009). Hence, any energy and emission impact analysis of public transit must consider both conventional ICEVs and upcoming electric vehicle (EV) options for the school and transit buses that dominate this landscape. To understand the detailed environmental impact profiles of ICEV and EV school and transit buses, it is necessary to conduct a thorough analysis covering both vehicle manufacturing and vehicle use stages. The current literature lacks a detailed vehicle-cycle inventory for school and transit buses, which makes this kind of comparison difficult. To overcome this gap, we developed a comprehensive vehicle-cycle model for school and transit buses in Argonne’s R&D GREET 2025 model. The model is flexible in handling user inputs for key assumptions, such as component weights and material compositions, upstream energy sources for material processing, and vehicle operating parameters, to understand their impacts on energy use and emissions for both school and transit buses. This report is organized as follows: Section 2 provides details on the modeling approach and vehicle specifications (weights and composition of different vehicle components, and vehicle operating parameters) for both school and transit buses. Section 3 provides details on vehicle assembly, disposal, and recycling (ADR) approaches for the two buses. Section 4 includes details about their incorporation into the R&D GREET model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

A CLC-ec1 mutant reveals global conformational change and suggests a unifying mechanism for the CLC Cl–/H+ transport cycle

Among coupled exchangers, CLCs uniquely catalyze the exchange of oppositely charged ions (Cl– for H+). Transport-cycle models to describe and explain this unusual mechanism have been proposed based on known CLC structures. While the proposed models harmonize with many experimental findings, gaps and inconsistencies in our understanding have remained. One limitation has been that global conformational change – which occurs in all conventional transporter mechanisms – has not been observed in any high-resolution structure. Here, we describe the 2.6 Å structure of a CLC mutant designed to mimic the fully H+-loaded transporter. This structure reveals a global conformational change to improve accessibility for the Cl– substrate from the extracellular side and new conformations for two key glutamate residues. Together with DEER measurements, MD simulations, and functional studies, this new structure provides evidence for a unified model of H+/Cl– transport that reconciles existing data on all CLC-type proteins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Criticality Analysis of FSV Spent Nuclear Fuel in the DOE Standard Canister

The U.S. Department of Energy (DOE) is responsible for managing over 300 types of spent nuclear fuel (SNF). To manage this large variety of fuel types, DOE plans to employ standardized canisters for the transportation, long-term storage, and eventual disposal of SNF. Idaho National Laboratory is currently supporting DOE’s SNF Packaging Demonstration Project, in which Fort Saint Vrain (FSV) fuel assemblies will be loaded into a DOE Standard Canister. This paper presents criticality calculations demonstrating that all four or five FSV fuel assemblies loaded into the DOE Standard Canister will remain subcritical in any expected normal or credible abnormal conditions. Previous criticality analyses were performed for one FSV fuel assembly and 12 Peach Bottom Core 2 fuel elements loaded into a DOE Standard Canister. This paper covers the criticality analysis performed for loading both four and five FSV fuel assemblies into a DOE Standard Canister. Various intact and degraded mode configurations were modeled in conducting the criticality calculations. This analysis encompassed three different configurations: (1) a single DOE Standard Canister loaded into a concrete storage overpack, (2) seven DOE Standard Canisters loaded into a concrete storage overpack, and (3) nine DOE Standard Canisters loaded into a concrete storage overpack. The overpack dimensions were varied for each of the three configurations, and transport, storage, and disposal scenarios were analyzed for each configuration. For transport scenarios, a pair of degradation cases was analyzed. In the first case, the fuel compacts became degraded and were removed from the fuel block, then deposited at the bottom of a horizontally placed canister, thereby simulating a drop event. The canister was considered to remain intact. In the second case, the spacing between horizontally placed canisters in a nine-canister overpack was reduced such that the canisters were piled on top of each other, simulating a drop event. For this case, no degradation of the canister internals or fuel was considered. For storage scenarios, the water moderator location in the system was varied to enable identification of the most reactive configurations. Dry and wet conditions were analyzed for the fuel materials, canister, and overpack. For disposal scenarios, two degradation cases were analyzed. In the first, the stainless-steel internals of the canister degraded to either hematite or goethite under both dry and wet conditions. In the second case, degraded FSV fuel formed a uranium-water slurry that filled the coolant/void holes. None of the cases presented exceeded the application specific upper subcritical limit.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Experimental evidence of enhanced radial transport in small ELM regimes at DIII-D

Small/type-II edge-localized-modes (ELMs), carrying 1% of the plasma stored energy, are found to deposit only 45 ± 5% of the ELM power near the strike point, and the remaining 55 ± 5% to the far scrape-off-layer (SOL). Small ELMs spread their power over a larger area compared to type-I ELMs, where such a ratio is about 60% and 40% for near- and far-SOL regions, respectively. The larger spread is reflected in the heat flux width (λq) in the SOL for the intra-small ELMs profile of 6.0 mm, almost a factor 2 larger than that of type-I ELMs of 3.15 mm, for similar plasma conditions and magnetic configuration. At the ELM peak, the small ELMs λq is found to be up to 4 times larger than for the type-I ELMs, going from 2 to 7.9 mm, indicating enhanced radial transport in the neon-seeded small ELM scenario. Inter-ELM λqs have been also calculated at the secondary outer divertor in quasi-double-null (QDN) discharges. It is found that, on average, λq is 2.2 times larger in the high-separatrix-density small ELM regime, compared to a reference type-I ELM one. These findings are supported by small ELMs radial velocity profiles, measured at the outer midplane with a fast reciprocating probe, showing a decay length (λvr) in the SOL of 12.8 cm, which is 3.3 times larger than that for the type-I ELMs of 3.9 cm. This analysis shows that small ELMs, although attractive for future machines due to low peak heat flux and large λq, might be of concern for the larger flux to the outer wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Two types of superconducting pairs in stripe-ordered La 2 - x Ba x CuO 4 ( x = 1 / 8 ) : Evidence from resistivity measurements

Recent angle-resolved c-axis resistivity measurements of the stripe-ordered La 2-x Ba x CuO 4 (LBCO) with x = 1/8 revealed an unexpected dependence on the direction of the in-plane magnetic field. We argue that these and other available data for the c-axis transport point to the existence of superconducting pairs of two different types in the x = 1/8 LBCO below the stripe ordering temperature. The pairs of one type carry finite momentum and are confined to the Cu-O planes; the pairs of other type (probably the conventional d wave with zero momentum) propagate along narrow conducting channels traversing the sample in the c-axis direction. The evidence for this comes from the observed exponential temperature dependence of the c-axis resistivity ρ c (T ) which we attribute to the thermally excited slips of the superconducting phase and flux flows. We present a simple theory to fit the observed π/2-periodic dependence of ρ c on the direction of the in-plane magnetic field and the other data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Synthetic Nuances to Maximize n-Type Organic Electrochemical Transistor and Thermoelectric Performance in Fused Lactam Polymers

A series of fully fused n-type mixed conduction lactam polymers p(g 7 NC n N), systematically increasing the alkyl side chain content, are synthesized via an inexpensive, nontoxic, precious-metal-free aldol polycondensation. Employing these polymers as channel materials in organic electrochemical transistors (OECTs) affords state-of-the-art n-type performance with p(g 7 NC 10 N) recording an OECT electron mobility of 1.20 x 10 -2 cm 2 V -1 s -1 and a μC* figure of merit of 1.83 F cm -1 V -1 s -1. In parallel to high OECT performance, upon solution doping with (4-(1,3-dimethyl-2,3-dihydro-1H-benzoimidazol-2-yl)phenyl)dimethylamine (N-DMBI), the highest thermoelectric performance is observed for p(g 7 NC 4 N), with a maximum electrical conductivity of 7.67 S cm -1 and a power factor of 10.4 μWm -1 K -2 . These results are among the highest reported for n-type polymers. Importantly, while this series of fused polylactam organic mixed ionic-electronic conductors (OMIECs) highlights that synthetic molecular design strategies to bolster OECT performance can be translated to also achieve high organic thermoelectric (OTE) performance, a nuanced synthetic approach must be used to optimize performance. Herein, we outline the performance metrics and provide new insights into the molecular design guidelines for the next generation of high-performance n-type materials for mixed conduction applications, presenting for the first time the results of a single polymer series within both OECT and OTE applications.

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

Analysis of a new multispecies tumor growth model coupling 3D phase-fields with a 1D vascular network

In this study, we present and analyze a mathematical model for tumor growth incorporating ECM erosion, interstitial flow, and the effect of vascular flow and nutrient transport. The model is of phase-field or diffused-interface type in which multiple phases of cell species and other constituents are separated by smooth evolving interfaces. The model involves a mesoscale version of Darcy’s law to capture the flow mechanism in the tissue matrix. Modeling flow and transport processes in the vasculature supplying the healthy and cancerous tissue, one-dimensional (1D) equations are considered. Since the models governing the transport and flow processes are defined together with cell species models on a three-dimensional (3D) domain, we obtain a 3D–1D coupled model.

3D–1D coupled blood flow models↗
DOE OSTI2025

ELM–Wet: Inclusion of a Wet–Landunit With Sub–Grid Representation of Eco–Hydrological Patches and Hydrological Forcing Improves Methane Emission Estimations in the E3SM Land Model (ELM)

Wetlands are the largest emitters of biogenic methane (CH 4 ) and represent the highest source of uncertainty in global CH 4 budgets. Here, we aim to improve the realism of wetland representation in the U.S. Department of Energy's Exascale Earth System Model land surface model, ELM, thereby reducing uncertainty of CH 4 flux predictions. We develop an updated version, ELM-Wet, where we activate a separate landunit for wetlands that handles multiple wetland-specific eco-hydrological patch functional types. We introduce more realistic hydrological forcing through prescribing site-level constraints on surface water elevation, which allows resolving different sustained inundation depth for different patches, and if data exists, prescribing inundation depth. We modified the calculation of aerenchyma transport diffusivity based on observed conductance per leaf area for different vegetation types. We use Bayesian Optimization to parameterize CO 2 and CH 4 fluxes in the developed wet-landunit. Site-level simulations of a coastal non-tidal freshwater wetland in Louisiana were performed with the updated model. Eddy covariance observations of CO 2 and CH 4 fluxes from 2012 to 2013 were used to train the model and data from 2021 were used for validation. Patch-specific chamber flux observations and observations of CH 4 concentration profiles in the soil porewater from 2021 were used for evaluation of the model performance. Our results show that ELM-Wet reduces the model's CH 4 emission root mean squared error by up to 33% and is able to represent inter-daily CO 2 and CH 4 flux variability across the wetland's eco-hydrological patches, including during periods of extreme dry or wet conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Evaluation of Hydrogen Gas Generation and Permeation in the 9979 Type AF Shipping Package

The 9979 Type AF Shipping Packaging is a cost-effective radioactive material package designed by Savannah River National Laboratory (SRNL) that consists of two primary components: a foamed outer drum for structural protection and an inner containment drum. The packaging was designed to transport Highly Enriched Uranium (HEU), Low Enriched Uranium (LEU), and other isotopes not exceeding a Type A quantity. These contents have the potential to generate flammable hydrogen gas during transport due to the degradation of hydrogenous materials (e.g. water vapor, plastics, etc) by high-energy alpha radiation. Since 10 CFR 71.43(h) prohibits the incorporation of packaging features explicitly designed for continuous venting, alternative justification was required to demonstrate that the requirements of 10 CFR 71.43(d) for negligible reactions between packaging components and contents were satisfied. An analysis was performed to demonstrate that the potential for hydrogen gas generation over a one-year period was limited by the effects of permeation through the packaging materials. The rate of hydrogen collection was evaluated for both the inner containment drum and the outer structural drum under 10 CFR 71.71 Normal Conditions of Transport (NCT). The analysis concludes that the Lower Flammability Limit (LFL) for hydrogen gas will not be reached in a one-year shipping period assuming a minimum void volume is maintained within the drum.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Evaporation-Induced Vertical Alignment Enabling Directional Ion Transport in a 2D-Nanosheet-Based Battery Electrode

2D nanosheets have been widely explored as electrode materials owing to their extraordinarily high electrochemical activity and fast solid-state diffusion. However, the scalable electrode fabrication based on this type of material usually suffers from severe performance losses due to restricted ion-transport kinetics in a large thickness. Here, a novel strategy based on evaporation-induced assembly to enable directional ion transport via forming vertically aligned nanosheets is reported. The orientational ordering is achieved by a rapid evaporation of mixed solvents during the electrode fabrication process. Compared with conventional drop-cast electrodes, which exhibit a random arrangement of the nanosheets and obvious decrease of rate performance with increasing thickness, the electrode based on the vertically aligned nanosheets is able to retain the original high rate capability even at high mass loadings and electrode thickness. Furthermore, combined electrochemical and structural characterization reveals the electrode composed of orientation-controlled nanosheets to possess lower charge-transfer resistances, leading to more complete phase transformation in the active material.

25 ENERGY STORAGE↗
DOE OSTI2024

Nanopore Confinement of C-H-O Mixed-Volatile Fluids Relevant to Subsurface Energy Systems

The overarching goal of OU’s contribution to the project was to use novel computational approaches to quantify the effect of variable nanopore features (pore size, volume, topology, and chemistry) and the presence of water or salt solutions on the sorption and transport of carbon-bearing fluids. To achieve this goal OU collaborators tested test two related hypotheses: • The transport of water and aqueous electrolytes in nanopores is controlled by pore size, pore wall composition, and the type of salt – structure-maker (e.g., CaCl 2 ) versus structure-breaker (e.g., NaCl) that affect the hydrogen-bonding network. • The structure, solubility, and transport of carbon-bearing molecules in water or aqueous electrolyte-filled nanopores are controlled by the substrate type including degree of hydration, and pore features, and regulated by the hydration structure of the guest molecules.

58 GEOSCIENCES↗
DOE OSTI2023

Assignment of Freight Traffic in a Large-scale Intermodal Network under Uncertainty

This paper presents a methodology for freight traffic assignment in a large-scale road-rail intermodal network under uncertainty. Network uncertainties caused by natural disasters have dramatically increased in recent years. Several of these disasters (e.g., Hurricane Sandy, Mississippi River Flooding, and Hurricane Harvey) severely disrupted the U.S. freight transportation network, and consequently, the supply chain. To account for these network uncertainties, a stochastic freight traffic assignment model is formulated. An algorithmic framework, involving the sample average approximation and gradient projection algorithm, is proposed to solve this challenging problem. The developed methodology is tested on the U.S. intermodal network with freight flow data from the Freight Analysis Framework. The experiments consider three types of natural disasters that have different risks and impacts on transportation networks: earthquakes, hurricanes, and floods. It is found that for all disaster scenarios, freight ton-miles are higher compared to the base case without uncertainty. The increase in freight ton-miles is the highest under the flooding scenario; this is because there are more states in the flood-risk areas, and they are scattered throughout the U.S.

42 ENGINEERING↗