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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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DOE OSTI2026

Coupling geophysical, geological, geochemical and mineralogical assessments to examine preferential contaminant transport pathways in interbedded fractured bedrock

This study shows that a multi-faceted approach, combining borehole geophysical logging and surface seismic P-wave first-arrival tomography with confirmatory coring, well installation, and chemical and mineralogical analysis, is effective for identifying difficult-to-locate preferential contaminant transport pathways in deeper fractured bedrock. Seismic tomography detected porous 10–20 m wide elongated fractured conduits that allow acidic groundwater contaminated with uranium (U) and nitrate (NO 3 - ) to migrate within interbedded shale-limestone bedrock over 1000 m from a former disposal facility (S-3 Ponds site) located at the DOE Y-12 National Security Complex in Tennessee (USA). Conventional drilling techniques would easily miss these conduits because they are oriented parallel with fractured bedding planes. Synchrotron analysis of aquifer solids revealed that > 95 % of the U is hexavalent (U VI ). This uranyl (UO 2 2+ ) species is coordinated with carbonate, iron oxide, silicate and phosphate minerals within cemented white to yellow precipitates, which contain U concentrations as high as ∼21.6 % by weight fraction. Identifying the presence of these mineral phases, enables a further understanding of the potential effectiveness of remediation actions. The combination of methodologies presented here can also be applied to other explorations, such as the detection of water supply.

Fate and transport↗

NASA NTRS1996

Nonlinear Response of Layer Growth Dynamics in the Mixed Kinetics-Bulk-Transport Regime

In situ high-resolution interferometry on horizontal facets of the protein lysozyme reveal that the local growth rate R, vicinal slope p, and tangential (step) velocity v fluctuate by up to 80% of their average values. The time scale of these fluctuations, which occur under steady bulk transport conditions through the formation and decay of step bunches (macrosteps), is of the order of 10 min. The fluctuation amplitude of R increases with growth rate (supersaturation) and crystal size, while the amplitude of the v and p fluctuations changes relatively little. Based on a stability analysis for equidistant step trains in the mixed transport-interface-kinetics regime, we argue that the fluctuations originate from the coupling of bulk transport with nonlinear interface kinetics. Furthermore, step bunches moving across the interface in the direction of or opposite to the buoyancy-driven convective flow increase or decrease in height, respectively. This is in agreement with analytical treatments of the interaction of moving steps with solution flow. Major excursions in growth rate are associated with the formation of lattice defects (striations). We show that, in general, the system-dependent kinetic Peclet number, Pe(sub k) , i.e., the relative weight of bulk transport and interface kinetics in the control of the growth process, governs the step bunching dynamics. Since Pe(sub k) can be modified by either forced solution flow or suppression of buoyancy-driven convection under reduced gravity, this model provides a rationale for the choice of specific transport conditions to minimize the formation of compositional inhomogeneities under steady bulk nutrient crystallization conditions.

Vekilov, Peter G.↗

DOE OSTI2021

Big Adaptive Rotor Phase I (Final Report)

The Big Adaptive Rotor (BAR) project was initiate by DOE in 2018 with the goal of identifying novel technologies that can enable large (>100m) blades for low specific power (SP) turbines. Five distinct tasks were completed to achieve this goal: 1. Assess trends, impacts, and value of low-SP turbines, 2. Wind turbine blade cost reduction roadmap study, 3. Research and Development (R&D) opportunity screening, 4. Detailed design and analysis, and 5. Low-cost carbon fiber. These tasks were completed by the national lab team consisting of Sandia National Laboratories (SNL), the National Renewable Energy Laboratory (NREL), and Lawrence Berkeley National Laboratory (LBNL). The objective of Task 1 was to assess the historical trends of low-SP of onshore deployments, and to assess the impact and value of low-SP turbines. Analysis under this task showed that there is significant value for low-SP turbines, especially in markets where there is a higher saturation of wind energy on the grid. This has to do with the fact that low-SP turbines have increased capacity factors, and can contribute more reliable energy to the grid, even in lower wind conditions. This bodes well as higher renewable scenarios are likely in the coming years. Task 2 was a detailed analysis on the logistical challenges of deploying very large (>100m) onshore blade. This work was completed by experts at DNV-GL. The report looked at various ways to get around the current transportation constraints which are estimated to be around 75m in length. The report concluded that there are viable solutions to this issue including: segmented blades (which the industry is already pursuing), lighter than air (LTA) transportation, on-site manufacturing, and controlled bending of blades on rail. The final option was recommended for further analysis and study by DOE and the national labs because keeping a single piece blade reduces manufacturing and operations and maintenance (O&M) costs. Task 3 focused on identifying novel concepts that are capable of enabling a cost effective 5MW 206m rotor for onshore deployment. The findings from the first two tasks were considered in the analysis, in that the concepts identified must be able to overcome the transportation logistics challenges. Around 20 concepts were identified and evaluated by experts within the industry. Additionally, science and engineering challenges were identified for each concept. Based on these evaluations six concepts were deemed the most impactful and were selected for further analysis in Task 4. The concepts were: highly flexible rail transportable blades, downwind rotors, distributed aerodynamic control (DAC) devices, inflatable blade, bi-wing blade, and 4/5 bladed rotors. Task 4 conducted detailed design, optimization, and analysis on the selected BAR concepts. A modeling gaps analysis was conducted, and modeling improvements were implemented that allowed for the study and design of the novel concepts. The BAR team established a set of baseline designs by which to compare the selected designs through a technoeconomic analysis. It was found that the highly flexible rail transportable blade, the downwind rotor, and the DAC devices have the most promise to deliver the BAR targets. A Phase II for BAR has been proposed to further mature these concepts and address the open science and engineering challenges identified in Task 3. Task 5 conducted research on optimized carbon fiber materials that were used throughout the BAR Phase I project. Overall, the BAR project has identified low-SP turbines as important to continued LCOE reductions for onshore turbines. Furthermore, the project has identified viable solutions to the technical and logistical challenges to realizing these goals. The most promising technologies that were identified in Phase I of the project will be further matured and de-risked in Phase II of the BAR project.

17 WIND ENERGY↗

NASA NTRS2022

NASA’s Strategic Analysis Cycle 2021 (SAC21) Human Mars Architecture

The National Aeronautics and Space Administration’s (NASA) Mars Architecture Team (MAT) was challenged to develop a mission architecture capable of transporting humans to the surface of Mars and back as fast—and as soon—as practical. This challenge represented a significant departure from previous approaches that minimized Earth-launched mass and maximized in-space transportation efficiency, often resulting in roundtrip missions of three years or more in duration. In the interest of crew health, MAT’s cross-Agency team of subject matter experts was challenged to develop an architecture capable of shortening crew time away from Earth to about two years. MAT was given specific mission constraints, such as number of crew, as well as mandates to minimize surface infrastructure as much as possible and to incorporate nuclear transportation options. The resulting MAT-developed concept, referred to here as the Strategic Analysis Cycle 2021 (SAC21) architecture, leverages Artemis elements and emerging commercial capabilities for cargo and logistics launches, and features a hybrid Nuclear Electric Propulsion (NEP)/Chemical transportation system able to complete the 1.8 billion kilometer round-trip journey to Mars and back in 760 to 850 days transit time for the 2039 Earth departure opportunity. Three Mars Descent Systems (MDS), each capable of landing about 25 metric tons of useful cargo on the surface of Mars, would be pre-deployed in advance of crew departure from Earth; two of these MDS’s would deliver a partially fueled Mars Ascent Vehicle (MAV), a fission power system, surface mobility, and additional MAV propellant. To minimize surface infrastructure, only two of the four Mars crew would descend and live in an MDS-landed pressurized rover, exploring the martian surface for 30 martian days, or sols, before returning to Mars orbit aboard their MAV and rejoining the other two crew on the Deep Space Transport for the Earth return voyage. Specifics of many of these architecture elements are detailed in separate technical publications; this paper outlines the end-to-end integrated architecture performance and concept of operations, including synergies with Artemis lunar architecture elements. It is important to note that NASA does not have a formal human Mars program and no decisions have been made; the architecture described here is intended to fill in an often-overlooked corner of the trade space, helping to complete the menu of options available to decision-makers as they chart the course for humans to Mars.

exploration↗

NASA NTRS1994

Modelling stratospheric polar ozone using objective analysis

We have studied the development of the austral ozone hole using a 3-D spectral chemical transport model at R15 resolution for the period 15th September to 15th October, 1991. The model is driven by objectively analyzed wind fields obtained from the Canadian Meteorological Center and uses the chemical module developed by Kaminski (1992). Although extensive processing of NO(y) and Cl(x) occurs within the model, the ozone hole that develops appears shallow and ephemeral. Analysis of the results indicate that the meridional transport of ozone is sufficient to overwhelm the substantial chemical depletion that does occur. We suggest that the low resolution objectively analyzed data used is unable to capture the essential isolated nature of the vortex.

Sandilands, J. W.↗

NASA NTRS1993

Comprehensive investigation of HgCdTe metalorganic chemical vapor deposition

The principal objective of this experimental and theoretical research program was to explore the possibility of depositing high quality epitaxial CdTe and HgCdTe at very low pressures through metalorganic chemical vapor deposition (MOCVD). We explored two important aspects of this potential process: (1) the interaction of molecular flow transport and deposition in an MOCVD reactor with a commercial configuration, and (2) the kinetics of metal alkyl source gas adsorption, decomposition and desorption from the growing film surface using ultra high vacuum surface science reaction techniques. To explore the transport-reaction issue, we have developed a reaction engineering analysis of a multiple wafer-in-tube ultrahigh vacuum chemical vapor deposition (UHV/CVD) reactor which allows an estimate of wafer or substrate throughput for a reactor of fixed geometry and a given deposition chemistry with specified film thickness uniformity constraints. The model employs a description of ballistic transport and reaction based on the pseudo-steady approximation to the Boltzmann equation in the limit of pure molecular flow. The model representation takes the form of an integral equation for the flux of each reactant or intermediate species to the wafer surfaces. Expressions for the reactive sticking coefficients (RSC) for each species must be incorporated in the term which represents reemission from a wafer surface. The interactions of MOCVD precursors with Si and CdTe were investigated using temperature programmed desorption (TPD) in ultra high vacuum combined with Auger electron spectroscopy (AES). These studies revealed that diethyltellurium (DETe) and dimethylcadmium (DMCd) adsorb weakly on clean Si(100) and desorb upon heating without decomposing. These precursors adsorb both weakly and strongly on CdTe(111)A, with DMCd exhibiting the stronger interaction with the surface than DETe.

Raupp, Gregory B.↗

NASA NTRS2019

The Effects of a 1998 Observing System Change on MERRA-2-Based Ozone Profile Simulations

Model simulations of ozone (O3) driven by meteorological reanalyses are useful for filling observational gaps and interpreting observed O3 variability and trends. However, the transport circulation of reanalysis products is impacted by changes to the observing system (the data assimilated into the reanalyses). We examine the impacts of these changes on simulated O3 from two models, Global Modeling Initiative (GMI) Chemistry Transport Model (GMI CTM) and Modern‐Era Retrospective Analysis for Research Applications version 2 (MERRA‐2) GMI Replay (M2 GMI Replay) simulation, using observations from global ozonesondes (>50,000 profiles) and satellites from 1980 to 2016. Both models are constrained by meteorology from the NASA MERRA‐2 reanalysis, and both use versions of NASA's GMI chemical mechanism. We focus on an observing system change affecting simulated O3 after 1998, associated with the assimilation of temperature and humidity data from new microwave profiling satellites. A large post‐1998 O3 increase, mainly confined to 15–20‐km altitude, of ~10 Dobson units (DU) in midlatitudes occurs in the GMI CTM, worsening the bias compared to observations. In contrast, an increase in M2 GMI Replay simulation O3 of ~10 DU is observed only near −60° latitude, reducing the bias compared to observations. The GMI CTM O3 high biases display a Quasi‐Biennial Oscillation (QBO)‐like periodicity that result from excessive transport from the tropical stratosphere to the midlatitude lower stratosphere during the QBO westerly phase. We quantify O3 discontinuities caused by MERRA‐2 observing system changes and demonstrate how the MERRA‐2 Global Modeling Initiative Replay simulation dampens the effects of these changes and QBO‐driven artifacts on simulated lower stratospheric and total O3. We caution against using simulations driven by a reanalysis to derive multidecadal O3 trends, especially prior to 1998.

Replay↗

DOE OSTI2023

Impacts of PTL coating gaps on cell performance for PEM water electrolyzer

The anode porous transport layer (PTL) is a critical component of polymer electrolyte membrane (PEM) water electrolyzers, providing electrical conduction and water/oxygen transport to the anode catalyst layer. Platinum group metal (PGM) coatings are applied to titanium PTLs to prevent oxidation and preserve conductivity. To implement PEM water electrolysis on a large scale, it is essential to minimize the cost of mass-manufactured cell components while ensuring that defects in materials and components do not adversely affect the performance of the cell. In this study, we created gaps in the Pt coatings that are typically applied to PTLs to understand their effects on cell performance and inform on fabrication tolerances. The PTL coatings were fabricated by sputter deposition of Pt, intentionally leaving uncoated regions in either large patches or thin strips. For either geometry, the cell performance decreased with the increasing fraction of the uncoated regions. However, PTLs containing multiple thin uncoated strips caused a less severe performance effect than PTLs with continuous uncoated regions of the same relative total area. Through analysis of cell performance, impedance, and 3D charge transport modelling, here we demonstrate that both the anode catalyst layer and membrane play a role in distributing current to mitigate the impact of coating defects at a short length scale. These results allow to draw conclusions about the tolerance requirements with regards to PTL coating uniformity in terms of both the size and total area of defects.

08 HYDROGEN↗

NASA NTRS1991

Numerical analysis of a nuclear fuel element for nuclear thermal propulsion

A computational fluid dynamics model with porosity and permeability formulations in the transport equations has been developed to study the concept of nuclear thermal propulsion through the analysis of a pulsed irradiation of a particle bed element (PIPE). The numerical model is a time-accurate pressure-based formulation. An adaptive upwind scheme is employed for spatial discretization. The upwind scheme is based on second- and fourth-order central differencing with adaptive artificial dissipation. Multiblocked porosity regions have been formulated to model the cold frit, particle bed, and hot frit. Multiblocked permeability regions have been formulated to describe the flow shaping effect from the thickness-varying cold frit. Computational results for several zero-power density PIPEs and an elevated-particle-temperature PIPE are presented. The implications of the computational results are discussed.

Wang, Ten-See↗

NASA NTRS1986

An analysis of the high-latitude thermospheric wind pattern calculated by a thermospheric general circulation model. II - Neutral parcel transport

A diagnostic package developed to analyze runs made by the National Center for Atmospheric Research thermosphere general circulation model is used to calculate neutral parcel trajectories in the high-latitude E and F regions. Parcel trajectories are presented for a number of different cases to illustrate the main characteristics of F region parcel transport in the winter high-latitude region. Several examples of E region parcel trajectories are similarly analyzed, concentrating on both the southern (summer) and northern (winter) regions. F region parcel trajectories are calculated backward in time from passage over a given geographical location to illustrate the 'genesis' of those parcels whose velocities can be monitored from a ground-based Fabry-Perot observatory.

Killeen, T. L.↗

DOE OSTI2021

Performance and cost analysis of liquid fuel production from H 2 and CO 2 based on the Fischer-Tropsch process

Electro-fuels can be produced from concentrated sources of carbon dioxide and hydrogen using electricity generated from renewable sources; this process enables energy storage at high volumetric energy density. Among the electro-fuels options, FT (Fischer-Tropsch) fuel is attractive for heavy-duty trucks and non-road transportation applications. This study conducts a techno-economic analysis of FT liquid fuel production from H 2 and CO 2 using a detailed performance analysis. Minimum fuel selling price is estimated for a broad range of H 2 and CO 2 prices and for a range of potential CO 2 credits. The analysis indicates that H 2 price has the largest impact on the minimum selling price of FT fuel. FT fuel production with a CO 2 price of $17.3/metric ton requires an H 2 price of $0.8/kg to be cost-competitive with the pre-tax petroleum diesel price of $3.1/gal in 2050 (before the application of any CO 2 credits). When the H 2 price is $2.0/kg from central water electrolysis (2020 target), the minimum selling price of the FT fuel is $5.4–5.9/gal. A sensitivity analysis shows that future system optimization of FT fuel production could focus on improving the H 2 and CO 2 recycle contributions and FT fuel conversion ratio. The analysis results can be combined with various upstream systems for H 2 and CO 2 production.

08 HYDROGEN↗

DOE OSTI2025

Geospatial analysis of freight accessibility and job attraction: The role of interstate ramps, airports, ports, and rail

The number of jobs within an industry is significantly influenced by geographical location, with transportation infrastructure playing a key role. While previous research has largely focused on how access to jobs affects employment, less attention has been given to how transportation infrastructure impacts business operations and job attraction. Here, this study addresses this gap by examining how the ease of transporting products to key transportation facilities affects job numbers in freight-intensive industries. Using job data from the Longitudinal Employment Household Dynamics dataset at the Census Tract level, we applied a non-parametric model to assess the impact of proximity to interstate ramps, rail intermodals, ports, and airports. Our analysis revealed that closer transportation infrastructure generally has a greater impact on employment. Specifically, interstate ramps are crucial for attracting jobs, particularly in rural areas, while airport proximity is essential for industries dealing with high-value, time-sensitive goods, as seen notably in Massachusetts. The importance of transportation facilities varies considerably across states and industries. The findings and method in this study can be used by transportation agencies for freight planning.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2026

Physics-informed machine learning exploration of Na storage mechanisms in disordered carbon

Sodium-ion batteries are a cost-effective, sustainable alternative to lithium-ion systems for large-scale energy storage. However, optimizing sodium storage in carbon-based anodes with microstructural complexity and atomic disorder remains a major challenge. The intrinsic inhomogeneity of these materials produces diverse local environments, making it difficult for conventional methods to predict and control ion dynamics. Hard carbon (HC) anodes, composed of ranges of ordered-to-disordered graphitic and amorphous nanodomains, offer tunable ion storage and rate capacity, yet rationale design remains a challenge due to poorly understood correlation between local atomic feature and ion transport mechanism. Here, to address this challenge, we introduce a data-driven framework that integrates validated machine-learned interatomic potentials, large-scale molecular dynamics simulations, and machine learning to elucidate sodium transport mechanisms as a function of carbon and sodium loading densities. By computing per-ion structural descriptors and applying unsupervised learning, we identify distinct diffusion modes governed by microscopic features. Supervised analysis and correlation mapping then establish quantitative links between these transport regimes and processing variables such as bulk carbon density and sodium content. This physics-informed approach establishes quantitative structure–transport relationships and offers actionable design principles for engineering high-performance HC anodes.

Data-driven framework↗

NASA NTRS1993

Studies of dynamical processes affecting the distribution of stratospheric ozone

The purpose of the research was to understand large-scale tracer transport processes in the stratosphere. Two approaches were taken. The first is analysis of tracer observations, especially satellite observations of ozone concentration and total column ozone. The second is numerical simulation of tracer transport processes. Topics researched include: quasi-biennial oscillation (QBO) and stratospheric ozone; mixing in the polar vortices; polar stratospheric clouds (PSC) properties from Antarctic lidar data; and statistical methods for numerical experiments.

Bowman, Kenneth P.↗

DOE OSTI2022

Dynamic Structure Discovery Applied to the Ion Transport in the Ubiquitous Lithium-ion Battery Electrolyte LP30

The electrolytes of the today omnipresent lithium-ion batteries (LIBs) have for more than 25 years been based upon 1 M LiPF 6 in a 50:50 EC:DMC mixture—commonly known as LP30. The success of the basic design of the LP30 electrolyte, with many variations and additions made over the years, is unchallenged. Yet, some molecular level fundamentals of LP30 are surprisingly elusive: the structure of the first solvation shell of the Li + cation is still a topic of current debate; the details of the dynamics are not fully understood; the interpretation of structural and dynamic properties is highly dependent on the analysis methods used; the contributions by different species to the ion transport and the energetics involved are not established. We here apply dynamic structure discovery analysis as implemented in CHAMPION to molecular dynamics simulation trajectories to bring new light on the structure and dynamics within LP30 and especially the (Li + ) ion transport to rationalize further development of LIB electrolytes.

25 ENERGY STORAGE↗

NASA NTRS1977

Vehicle Design Evaluation Program (VDEP). A computer program for weight sizing, economic, performance and mission analysis of fuel-conservative aircraft, multibodied aircraft and large cargo aircraft using both JP and alternative fuels

The NASA Langley Research Center vehicle design evaluation program (VDEP-2) was expanded by (1) incorporating into the program a capability to conduct preliminary design studies on subsonic commercial transport type aircraft using both JP and such alternate fuels as hydrogen and methane;(2) incorporating an aircraft detailed mission and performance analysis capability; and (3) developing and incorporating an external loads analysis capability. The resulting computer program (VDEP-3) provides a preliminary design tool that enables the user to perform integrated sizing, structural analysis, and cost studies on subsonic commercial transport aircraft. Both versions of the VDEP-3 Program which are designated preliminary Analysis VDEP-3 and detailed Analysis VDEP utilize the same vehicle sizing subprogram which includes a detailed mission analysis capability, as well as a geometry and weight analysis for multibodied configurations.

Oman, B. H.↗

NASA NTRS1981

Regional eddy vorticity transport and the equilibrium vorticity budgets of a numerical model ocean circulation

A mean vorticity budget analysis is presented of Holland's (1978) numerical ocean general circulation experiment. The stable budgets are compared with classical circulation theory to emphasize the ways in which the mesoscale motions of the model alter (or leave unaltered) classical vorticity balances. The basinwide meridional transports of vorticity by the mean flow and by the mesoscale flow in the mean are evaluated to establish the role(s) of the mesoscale in the larger scale equilibrium vorticity transports. The vorticity equation for this model fluid system is presented and the budget analysis method is described. Vorticity budgets over the selected regions and on a larger scale are given, and a summary of budget results is provided along with remarks about the utility of this type of analysis.

Harrison, D. E.↗

DOE OSTI2021

Understanding Discrete Fracture Networks Through Spectral Graph Theory

Discrete Fracture Network models (DFNs) are used to simulate fluid flow and particle transport through fracture networks in low permeability rock. Understanding these processes are essential in many subsurface applications, such as environmental restoration of contaminated fractured media, CO 2 sequestration, detection of low-level nuclear tests, and hydrocarbon extraction. Compared with other models, DFNs allow for incorporation of a wider range of network characteristics but have substantially greater computation cost. These networks can be represented with graphs, allowing the use of graph theory tools to study the networks. I used Python to simulate flow and transport on a range of DFNs and analyzed these networks using methods from network analysis and spectral graph theory. My purpose was to find ways to gain insight about flow and transport on DFNs using these graph representations, bypassing the computationally intensive meshing typically required. My work is still in progress, but I have discovered several interesting trends and patterns that I believe could be useful towards my goal. If I am able to bring these results to fruition, they will aid subsurface geologists in extracting flow and transport information about fracture networks more efficiently.

54 ENVIRONMENTAL SCIENCES↗