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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Establishment of a Vertically Integrated Domestic Manufacturing Process for Production of Substrates Needed for Manufacture of Gas Diffusion Layers

In this project, AvCarb, LLC evaluated the baseline performance metrics of commercial carbon veils and their corresponding Gas Diffusion Layers (GDLs) with the goal of establishing an optimized, vertically integrated production system for wet-laid nonwoven substrates used in gas diffusion media for electrochemical energy storage and conversion devices. Mechanical testing and microstructural characterization were conducted and used to develop a multiscale computational model capable of simulating and predicting the performance of GDLs in fuel cells. Although the project successfully generated foundational transport and modeling data, it was terminated prior to identifying the critical GDL design parameters necessary for full optimization. The program aimed to improve carbon veil fabrication through enhanced fiber dispersion, fiber-fiber adhesion control, and improved web formation, enabling the production of high-quality, uniform substrates. Simulations were intended to guide mixing and solution delivery system design and process conditions, followed by production-scale trials to evaluate fiber dispersion, web uniformity, and mechanical robustness. At full deployment, the proposed production line would have been capable of producing approximately 650,000 m² of carbon veil annually. This capability remains strategically important, as the United States currently lacks a domestic source of wet-laid nonwoven carbon substrates that satisfy the stringent quality requirements for fuel-cell GDLs and electrolyzers representing an ongoing supply-chain vulnerability. Beyond supply-chain benefits, the project established a robust benchmarking dataset for existing commercial carbon veils while advancing next-generation material concepts targeting improved performance and manufacturing consistency.

Olson, Cynthia Lemay↗
DOE OSTI2026

Higher_wood_density_lowers_feedstock_cost_and_has_minimal_impact_on_biomass_conversion_to_biofuels

Poplar and other woody feedstocks have the potential to provide up to 200 million tons of biomass per year that could be converted to liquid fuels. Most forestry strategies that aim at increasing biomass productivity per hectare rely on short rotation plantations of fast-growing varieties. The improvement of wood density as a key trait itself has largely been overlooked. We evaluated natural variation in wood density across a population of genetically diversePopulus trichocarpatrees grown in a common garden. Wood density varies greatly within this population but is heritable higher wood density was not systematically associated with reduced growth, challenging assumptions of a trade-off between wood density and biomass accumulation. Furthermore, denser wood led to significant improvements throughout the supply chain, including, lowering biomass production and transportation costs. Higher density not correlate to changes in biomass composition. Density did not impact bioconversion in the two feedstock-to-fuel pipelines tested (pretreatment by ionic liquids or soaking in aqueous ammonia, and fermentation to ethanol) on a representative subset of poplars. These findings highlight wood density as a promising breeding target for accelerating the development of high-yielding, conversion-efficient bioenergy crops and as an avenue for increasing land-use efficiency and reducing biomass transportation cost. This data set contain three datasets.

CBI↗
DOE OSTI2025

Zooming in on virtual commutes: Telecommuting impacts on mobility and sustainability

Motivated by a societal shift towards remote work and rapid advancement in information and communication technologies, this study examines the impact of telecommuting on urban mobility across the nine counties of the San Francisco Bay Area, California. Utilizing a behaviorally realistic integrated agent-based transportation model and recent data on telecommuting patterns, we simulate the impact of multiple telecommuting scenarios on transportation system outcomes. This provides a comprehensive picture of the impact of remote work on travel costs and accessibility of all travelers, factoring in changes in mode use and congestion. We analyze how telecommuting influences broader societal factors such as transportation energy consumption. Our findings indicate that increased telecommuting reduces overall person miles traveled and transportation energy consumption. Furthermore, telecommuting results in externality benefits by improving accessibility and reducing commute times for non-telecommuters.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Stability of aqueous neodymium complexes in carbonate-bearing solutions from 100–600 °C

Rare earth element exploration requires a quantitative understanding of factors governing their mobilization and economic concentration. However, the behavior of rare earth elements in carbonate- bearing hydrothermal fluids associated with carbonatite-hosted deposits is poorly understood, and conflicting mechanisms of rare earth transport by anionic ligands and alkali behavior have been described. Here, we report quantitative data to characterize the role of carbonate-bearing solutions in the hydrothermal mobilization of neodymium. Solubility studies of neodymium phosphate were performed at temperatures ranging from 100 to 600 °C in carbonate-bearing solutions. The thermodynamic data determined for the predominant complex were used to model the separation of neodymium from thorium in a simple flow-through system based on fluid and mineral compositions characteristic of carbonatite deposits. Our data suggest that neodymium transport is controlled by the stability of the carbonate species NdCO 3 OH o , and at temperatures of 500–600 °C, the concentrations of neodymium in solutions can reach ~1000 ppm.

58 GEOSCIENCES↗
DOE OSTI2024

Accelerating CO2 Storage Site Characterization through a New Understanding of Favorable Formation Properties and the Impact of Core-Scale Heterogeneities

CO2 sequestration in deep geologic formations can permanently reduce atmospheric CO2 emissions and help to abate climate change. Target formations must undergo a time- and resource-intensive site evaluation process, assessing storage capacity, environmental safety, and suitability for CO2 trapping via reactive transport models based on data from a limited number of core samples. As such, simulations are often simplified and omit heterogeneities in formation properties that may be significant but are not well understood. To facilitate more rapid site assessment, this work first defines the aquifer properties of favorable storage formations through the analysis of promising and active storage sites. Data show quartz is the most prevalent formation mineral with carbonate minerals, highly reactive with injected CO2, present in over 75% of formations. Porosity and permeability data are highly clustered at 10–30% and 10–1000 mD. Field-scale reactive transport simulations are then constructed and used to analyze CO2 trapping efficiency. The models consider porosity and carbonate mineral heterogeneity as well as the impacts of typical temperature gradients. Simulated sequestration efficiencies are compared to results from a comparable homogenous model to understand the implications of aquifer non-uniformities. The results show a lower sequestration efficiency in the homogeneous model during the injection phase. During the post-injection phase, the homogenization of porosity and carbonate mineralogy results in a higher sequestration efficiency. Incorporating the temperature gradient also increases the sequestration efficiency. Importantly, the maximum deviation between the homogeneous and heterogeneous simulations at the end of the 50-year study period is only ~10%. Larger impacts may be incurred for properties outside the defined, promising ranges suggested here.

Environmental Sciences & Ecology↗
DOE OSTI2024

Recommendations for Updating Liquid Discharged Inventory and Transport Modeling Parameters for Cumulative Impacts Evaluation of Hexavalent Chromium in the 200 West Area

The purpose of this environmental calculation file (ECF) is to document information regarding hexavalent chromium (Cr(VI)) inventory discharged in 200 West Area at the Hanford Site and provide data to support predictive transport through the vadose zone and saturated zone for modeling efforts. This document provides a focused evaluation of historical waste stream data and studies to develop estimates of Cr(VI) inventory, discharge fractions, and transport parameters for the 200 West Area waste sites and tank farms during discharge events and for long-term contaminant releases.

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

Review of the second charged-particle transport coefficient code comparison workshop

We report the results of the second charged-particle transport coefficient code comparison workshop, which was held in Livermore, California on 24–27 July 2023. This workshop gathered theoretical, computational, and experimental scientists to assess the state of computational and experimental techniques for understanding charged-particle transport coefficients relevant to high-energy-density plasma science. Data for electronic and ionic transport coefficients, namely, the direct current electrical conductivity, electron thermal conductivity, ion shear viscosity, and ion thermal conductivity were computed and compared for multiple plasma conditions. Additional comparisons were carried out for electron–ion properties such as the electron–ion equilibration time and alpha particle stopping power. Overall, 39 participants submitted calculated results from 18 independent approaches, spanning methods from parameterized semi-empirical models to time-dependent density functional theory. In the cases studied here, we find significant differences—several orders of magnitude—between approaches, particularly at lower temperatures, and smaller differences—roughly a factor of five—among first-principles models. We investigate the origins of these differences through comparisons of underlying predictions of ionic and electronic structure. The results of this workshop help to identify plasma conditions where computationally inexpensive approaches are accurate, where computationally expensive models are required, and where experimental measurements will have high impact.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

2013-2014 Greater Fairbanks, Alaska, Transportation Survey

The 2013-2014 Greater Fairbanks Transportation Survey obtained behavior data for regional travel demand modeling. The planning region in Alaska comprised the North Star Borough—known as the PM2.5 nonattainment region—and included the cities of Fairbanks and North Pole. The Alaska Department of Transportation and Public Facilities sponsored the survey, which was conducted by Westat. Data collection occurred in two phases: fall 2013 and winter 2014. The first phase employed address-based sampling to recruit more than 1,700 households for a one-day personal travel survey and a subsample participated with global position system (GPS) and on-board diagnostic (OBD) loggers installed in their vehicles (282 vehicles) for one week. The purpose of phase one was to better understand the impact of vehicle emissions on air quality in the PM2.5 nonattainment region. Many of the households participating in the vehicle GPS/OBD portion of phase one were asked to participate in phase two.

1Hz data↗
DOE OSTI2025

Completion of Transport Property Measurements on Multiple Actinide Fluoride Mixtures

One of the missions of the US Department of Energy’s Office of Nuclear Energy (DOE-NE) Molten Salt Reactor (MSR) Campaign under the Advanced Reactor Technology program has been to experimentally measure thermophysical properties of MSR-relevent salt systems, with the intent of supporting the development of the Molten Salt Thermal Properties Database (MSTDB). This database is jointly funded by the DOE-NE Nuclear Energy Advanced Modeling and Simulation Program and the MSR Campaign. Multiple DOE national laboratories, including Oak Ridge National Laboratory (ORNL), have been conducting measurements of thermophysical properties to support MSTDB development and provide MSR developers with access to new data that has been measured using modern methodologies and more advanced sample characterization techniques. These data may either fill gaps in the database or provide updated higher quality data to replace legacy data. Researchers at ORNL have recognized significant gaps in the transport property data of actinide-bearing fluoride salt systems of MSR industry interest. Moreover, for the data present in MSTDB in this category, the uncertainty margins are generally high, leading to questionability in our current understanding of the thermophysical characterization of actinide fluoride mixtures. As such, the focus of this study has been to generate new transport property data of actinide fluoride mixtures that are of immediate interest to MSR developers. Specifically, the mixtures NaF-UF 4 (78 - 22 mol%) and NaF-KF-UF 4 (57-16.04-26.91 mol%) have been studied—NaF-UF 4 for thermal conductivity and viscosity and NaF-KF-UF 4 for viscosity. Thermal conductivity measurements have been conducted with a variable gap apparatus, whereas viscosity has been measured with a rolling ball viscometer. Methodological and calibration details are provided for both measurement processes, along with measurement system updates that have enabled easier manufacturing of components and fewer challenges associated with conducting the measurements themselves. The resultant data collected for NaF-UF 4 (78–22 mol%) and NaF-KF-UF 4 (57-16.04-26.91 mol%) have been compared with relevant mixture data within the thermophysical arm of the MSTDB (MSTDB-TP).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Quantifying the Influence of Size, Shape, and Density of Microplastics on Their Transport Modes: A Modeling Approach

Microplastics (MPs) pose significant risks to marine ecosystems and human health, necessitating accurate predictions of their distributions in aquatic environments for effective risk mitigation. However, understanding MP transport dynamics is challenging because of the inadequate representation of MP characteristics such as size, shape, and density in numerical models. Further, the accuracy of the MP vertical profiles in existing models has not been thoroughly validated. Thus, we developed an MP transport model within the Finite Volume Community Ocean Model framework (FVCOM-MP) by integrating MP characteristics. We validated FVCOM-MP against experimental and analytical data, focusing on various MP transport modes and transitions. FVCOM-MP successfully replicates MP profiles in different transport modes, including the bedload, surface-load, suspended-load, and mixed-load modes. Additionally, we introduce phase diagrams for classifying MP transport modes based on particle characteristics, enhancing our understanding of MP dynamics in aquatic systems. The transport modes for a number of real-world MP particles, including fishing line, plastic bag/bottle fragments, synthetic fibers, tire wear particles, polyvinyl chloride and expanded polystyrene pellets, were analyzed with these phase diagrams.

Microplastic transport, Settling velocity, Rising ↗
DOE OSTI2025

Fusing Edge Computing with Transport Security by Leveraging the Controller Area Network Transport Security Tracking and Reporting (C-STAR) Unit

Rapid advances in embedded system complexity and capability provides exciting opportunities for transportation security deployment. Manufacturers and developers of these embedded systems continue to provide lower cost and more powerful solutions that can be leveraged by researchers and engineers. Furthermore, deploying these devices at the “edge” of the Internet-of-Things (IoT) infrastructure provides opportunities for highly capable applications in transport security. In an edge computation architecture, the device is co-located at the source of the data in the larger IoT structure – this provides computational capability at the location directly where the data is collected. For shipment transport security, this provides a direct compute node for digestion of data and mitigation actions in real-time. In our application, the vehicle provides a significant amount of this data that can be processed in real-time via the Controller Area Network Transport Security Tracking and Reporting (C-STAR) edge device. Utilization of a computational node located on the vehicle, such as the C-STAR, capitalizes on previously discussed opportunities of edge architectures. In this paper, we will discuss this security solution’s usability, current deployments, and scalability to further applications in transport security. First, we will cover the supported vehicle platforms that can leverage the C-STAR technology. This will be particularly relevant to medium- and heavy-duty vehicles transporting high-risk shipments. Second, we will speak to current deployments of the C-STAR that are ongoing. Finally, we will discuss additional areas for expansion such as maturing the onboard algorithms through continuing collaborations.

Cook, Adian [ORNL] (ORCID:0000000160825395)↗
DOE OSTI2024

Ab-initio molecular dynamics study of eutectic chloride salt: MgCl2–NaCl–KCl

Ionic liquid materials are viable candidates as a heat transfer fluid (HTF) in a wide range of applications, notably within concentrated solar power (CSP) technology and molten salt reactors (MSRs). For next-generation CSP and MSR technologies that strive for higher power generation efficiency, a HTF with wide liquid phase range and energy storage capabilities is crucial. Studies have shown that eutectic chloride salts exhibit thermal stability at high temperatures, high heat storage capacity, and are less expensive than nitrate and carbonate salts. However, the experimental data needed to fully evaluate the potential of eutectic chloride salts as a HTF contender are scarce and entail large uncertainties. Considering the high cost and potential hazards associated with the experimental methods used to determine the properties of ionic liquids, molecular modeling can be used as a viable alternative resource. In this study, the eutectic ternary chloride salt MgCl 2 –NaCl–KCl is modeled using ab-initio molecular dynamics simulations (AIMDs) in the liquid phase. Using the simulated data, the thermophysical and transport properties of eutectic chloride salt can be calculated: density, viscosity, heat capacity, diffusion coefficient, and ionic conductivity. For an initial model validation, experimental pair-distribution function data were obtained from X-ray total scattering techniques and compared to the theoretical pair-distribution function. Additionally, theoretical viscosity values are compared to experimental viscosity values for a similar system. The results provide a starting foundation for a MgCl 2 –NaCl–KCl model that can be extended to predict other fundamental properties.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Henry’s Solubility and Diffusion Coefficients for 29 Volatile Organic Compounds in Polydimethylsiloxane Sylgard 184 at 293 K

Two-dimensional (2D) inverse gas chromatography (IGC) enables simultaneous determination of Henry’s solubility and Fickian diffusion coefficients for volatile organic compounds (VOCs) in polymer films. This technique offers a significant advantage over traditional cylindrical column IGC by providing precise control and measurement of the film thickness (here, 0.064 ± 0.002 mm), which is the critical length scale for accurate diffusivity determination. We apply this methodology to characterize VOC transport in Sylgard 184, a widely used polydimethylsiloxane (PDMS)-based polymer containing substantial silica filler content. At room temperature (20 °C), we measured solubility and diffusion coefficients for 29 common VOCs spanning diverse chemical functionalities, including alkanes, aromatics, chlorinated solvents, ketones, esters, and alcohols. Comparison with literature data for pure PDMS reveals that VOC solubility in Sylgard 184 is generally higher; for most non-hydrogen-bonding compounds it remains within a factor of 2 of pure PDMS, whereas alcohols are enhanced by roughly 1.8 to 3.7 times, which we attribute to favorable interactions with residual silanol groups on the silanized silica filler. Diffusion coefficients range from 1.0 × 10 –6 cm 2 /s (n-undecane) to 8.9 × 10–5 cm 2 /s (acetonitrile) and align well with extrapolated literature values for PDMS. This study provides essential thermodynamic and transport data for predicting VOC permeation in Sylgard 184 while demonstrating the utility of 2D IGC as a robust technique for characterizing rubbery polymer membranes across diverse industrial applications.

organic↗
DOE OSTI2025

A dynamic likelihood approach to filtering transport processes: advection-diffusion dynamics

A Bayesian data assimilation scheme is formulated for advection-dominated advective and diffusive evolutionary problems, based upon the Dynamic Likelihood (DLF) approach to filtering. The DLF was developed specifically for hyperbolic problems –waves–, and in this paper, it is extended via a split step formulation, to handle advection-diffusion problems. In the dynamic likelihood approach, observations and their statistics are used to propagate probabilities along characteristics, evolving the likelihood in time. The estimate posterior thus inherits phase information. For advection-diffusion the advective part of the time evolution is handled on the basis of observations alone, while the diffusive part is informed through the model as well as observations. We expect, and indeed show here, that in advection-dominated problems, the DLF approach produces better estimates than other assimilation approaches, particularly when the observations are sparse and have low uncertainty. The added computational expense of the method is cubic in the total number of observations over time, which is on the same order of magnitude as a standard Kalman filter and can be mitigated by bounding the number of forward propagated observations, discarding the least informative data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Integrated modeling framework (FVCOM-ICM/Toxi) to simulate the fate and transport of polychlorinated biphenyls in urban estuaries–Case study for Puget Sound, WA

Puget Sound is an urban estuary that exhibits persistent polychlorinated biphenyls (PCBs) contamination despite years of remediation efforts. For robust management actions, determining the timing, location, and magnitude of PCB loading sources and transport pathways using field data alone is challenging due to complex water circulation and biogeochemical processes. Here, this study aims to develop an integrated modeling framework that couples complex estuarian circulation with biogeochemical processes and associated interactions with PCB kinetics. The model simulates PCB accumulation in the lower tropic food web, demonstrating PCB intrusion into primary producers and its biomagnification in pelagic consumers. The PCB data from a new field survey was used to calibrate/validate the new PCB modeling framework for Puget Sound. The software program of the modeling framework is available to the user community for the applications of toxic contaminants transport in marine waters.

54 ENVIRONMENTAL SCIENCES↗