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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Minimal Information Set To Enable Verifiable Theoretical Battery Research

Batteries are an enabling technology for addressing sustainability through the electrification of various forms of transportation (1) and grid storage. (2) Batteries are truly multi-scale, multi-physics devices, and accordingly various theoretical descriptions exist to understand their behavior (3-5) ranging from atomistic details to techno-economic trends. As we explore advanced battery chemistries (6,7) or previously inaccessible aspects of existing ones, (8-10) new theories are required to drive decisions. (11-13) The decisions are influenced by the limitations of the underlying theory. Advanced theories used to understand battery phenomena are complicated and require substantial effort to reproduce. However, such constraints should not limit the insights from these theories. We can strive to make the theoretical research verifiable such that any battery stakeholder can assess the veracity of new theories, sophisticated simulations or elaborate analyses. We distinguish verifiability, which amounts to “Can I trust the results, conclusions and insights and identify the context where they are relevant?”, from reproducibility, which ensures “Would I get the same results if I followed the same steps?” With this motivation, we propose a checklist to guide future reports of theoretical battery research in Table 1. We hereafter discuss our thoughts leading to this and how it helps to consistently document necessary details while allowing complete freedom for creativity of individual researchers. Given the differences between experimental and theoretical studies, the proposed checklist differs from its experimental counterparts. (14,15) This checklist covers all flavors of theoretical battery research, ranging from atomic/molecular calculations (16-19) to mesoscale (20,21) and continuum-scale interactions, (9,22) and techno-economic analysis. (23,24) Finally, as more and more experimental studies analyze raw data, (25) we feel this checklist would be broadly relevant.

25 ENERGY STORAGE↗
DOE OSTI2025

Ensemble‐Based, Large‐Eddy Reconstruction of Wind Turbine Inflow in a Near‐Stationary Atmospheric Boundary Layer Through Generative Artificial Intelligence

ABSTRACT To validate the second‐by‐second dynamics of turbines in field experiments, it is necessary to accurately reconstruct the winds going into the turbine. Current time‐resolved inflow reconstruction techniques estimate wind behavior in unobserved regions using relatively simple spectral‐based models of the atmosphere. Here, we develop a technique for time‐resolved inflow reconstruction that is rooted in a large‐eddy simulation model of the atmosphere. Our “large‐eddy reconstruction” technique blends observations and atmospheric model information through a diffusion model machine learning algorithm, allowing us to generate probabilistic ensembles of reconstructions for a single 10‐min observational period. Our generated inflows can be used directly by aeroelastic codes or as inflow boundary conditions in a large‐eddy simulation. We verify the second‐by‐second reconstruction capability of our technique in three synthetic field campaigns, finding positive Pearson correlation coefficient values () between ground‐truth and reconstructed streamwise velocity, as well as smaller positive correlation coefficient values for unobserved fields (spanwise velocity, vertical velocity, and temperature). We validate our technique in three real‐world case studies by driving large‐eddy simulations with reconstructed inflows and comparing to independent inflow measurements. The reconstructions are visually similar to measurements, follow desired power spectra properties, and track second‐by‐second behavior ().

17 WIND ENERGY↗
DOE OSTI2022

Combinatorial sputter deposition of ultrathick Au-Bi alloy films

We report gold-bismuth alloys are of interest as catalysts and catalytic sensing systems, electrochemical sensors, superconductors, and hohlraums for magnetically assisted inertial confinement fusion implosions. Radiation-hydrodynamics simulations with the Lasnex code of laser-driven hohlraums predict higher x-ray drive from Au-Bi alloys compared with cases of Au-Ta or pure Au and Bi hohlraums. Here, we use direct current magnetron sputtering in Ar gas, with co-sputtering from two elemental targets, to deposit Au-Bi alloys with Bi content of 9–77 at.% and thicknesses up to ~20 µm. Films are characterized by a combination of x-ray diffraction, Rutherford backscattering, scanning electron microscopy, substrate-curvature-based residual stress, and electronic transport measurements. Experiments are complemented by Monte Carlo simulations of ballistic sputtering and gas phase transport of depositing species and Ar gas atoms. Results show that all films are polycrystalline, with three distinct compositional regimes dominated by Au, Au 2 Bi, and Bi crystallographic phases. A metallic behavior of the temperature dependence of electrical resistivity is observed for all the films. Films with Bi content above ~30 at.% exhibit porosity, which is tolerable to hohlraum x-ray drive based on Lasnex simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2026

2007 Midlands Tomorrow Household Travel Survey

The purpose of the Midlands Tomorrow Household Travel Survey, conducted by NuStats, was to obtain demographic characteristics and associated travel behavior data from residents of the Columbia, South Carolina, region in order to support an update to the regional transportation model. In total, 1,000 households participated in the study. A total of 7,609 trips were recorded from participants during a specific 24-hour weekday period. The majority of surveys were obtained March through May of 2007.

1Hz data↗
DOE OSTI2024

Stress localization investigation of additively manufactured GRCop-42 thin-wall structure

A full-field crystal plasticity (CP) framework is presented for the GRCop-42 alloy to study microscopic mechanical behavior and local stress heterogeneities. The microstructures of additively manufactured (AM) materials are often unique relative to conventionally processed materials, and the local thermal histories drive these differences during the build process. These thermal histories depend on the process parameters (laser power, scan speed, and scan strategy) and the part geometry. Prior research has shown that the mechanical properties of thin-walled structures can vary significantly with wall thickness due to changes in the thermal boundary conditions during manufacturing. It is, therefore, desirable to perform CP simulations based on the phenomenological constitutive model to predict the local mechanical responses induced by microstructural heterogeneities. This work generates representative microstructures based on experimentally collected grain information (i.e., texture) for grain scale stress analysis, and the material constitutive parameters are calibrated using the experimental mechanical testing data. Here, we specifically investigated the effect of crystallographic texture and grain morphologies on the size-dependent mechanical properties of AM GRCop-42. The selection of appropriate material properties for implementing an effective free surface boundary condition and the influence of adjacent buffer layers are also discussed. Analysis of local field results reveals a strong correlation between stress localization and the initial grain orientation. However, no significant relationship between the misorientation of the individual adjacent grains and the average misorientation is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Predicting Microstructural Void Nucleation in Discontinuous Fiber Composites through Coupled in-situ X-ray Tomography Experiments and Simulations

Composite materials have become widely used in engineering applications, in order to reduce the overall weight of structures while retaining their required strength. In this work, a composite material consisting of discontinuous glass fibers in a polypropylene matrix is studied at the microstructural level through coupled experiments and simulations, in order to uncover the mechanisms that cause damage to initiate in the microstructure under macroscopic tension. Specifically, we show how hydrostatic stresses in the matrix can be used as a metric to explain and predict the exact location of microvoid nucleation that occurs during damage initiation within the composite’s microstructure. Furthermore, this work provides evidence that hydrostatic stresses in the matrix can lead to coupled microvoid nucleation and early fiber breakage, and that small fragments of fibers can play an important role in the process of microvoid nucleation. These results significantly improve our understanding of the mechanics that drive the initiation of damage in the complex microstructures of discontinuous fiber reinforced thermoplastics, while also allowing scientists and engineers to predict the microstructural damage behavior of these composites at sub-fiber resolution and with high accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Of Actors, Cities and Energy Systems: Advancing the Transformative Potential of Urban Electrification

The electrification of transportation and the integration of electric vehicles (EVs) with buildings connected to clean grids has been touted as one of the key solutions to the global decarbonization challenge. Cities are on the frontlines of current and future electrification, as they depend on and drive electricity generation, distribution, and use. City actors also occupy a central role in the actions to enable electrification to support energy transitions in efficient, equitable, environmentally sound, and resilient ways. Currently, however, research and development on the interactions between actors, cities and energy systems is predominantly conducted in disciplinary siloes. This topical review analyzes the transformational potential of urban electrification. It focuses on efforts to electrify transportation and integrate EVs with buildings connected to a clean grid. We find that actions in these area are driving change; they are adopted by wealthier populations and on an experimental basis by specific communities. Their larger-scale growth is constrained by institutional, behavioral, and infrastructural factors. We also find that existing siloed disciplinary approaches are often incompatible with advancing holistic research. To achieve that, divergent communities of scholars need to come together to integrate their research and create broader perspectives. Through incorporation of the social sciences, these perspectives need to consider the societal limits and potentials brought to bear by human behavior and decision making. Only then can urban electrification be understood as the empirically rich and socially complex topic that it is. And only with this understanding will innovations and smart policy actions be able to tap into the transformational potential of urban electrification.

cities↗
DOE OSTI2024

Phase separation, edge currents, and Hall effect for active matter with Magnus dynamics

Here we examine run-and-tumble disks in two-dimensional systems where the particles also have a Magnus component to their dynamics. For increased activity, we find that the system forms a motility-induced phase-separated (MIPS) state with chiral edge flow around the clusters, where the direction of the current is correlated with the sign of the Magnus term. The stability of the MIPS state is non-monotonic as a function of increasing Magnus term amplitude, with the MIPS region first extending down to lower activities followed by a break up of MIPS at large Magnus amplitudes into a gel-like state. We examine the dynamics in the presence of quenched disorder and a uniform drive and find that the bulk flow exhibits a drive-dependent Hall angle. This is a result of the side jump effect produced by scattering from the pinning sites and is similar to the behavior found for skyrmions in chiral magnets with quenched disorder.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Identification of efficient and stable solid-solid electrochemical interfaces for Li-S batteries. Final Report

The objective of this work is to develop a better understanding of the interactions between battery components that drive the observed battery performance. Using computational tools at the atomistic level, we elucidate molecular, crystal, and amorphous structures, interfacial structures and reactions, and electrochemical behavior. We focus on Li metal anodes, liquid electrolytes, solid electrolytes, S cathodes, and metal-oxide cathodes, and their corresponding interfaces. Within liquid electrolytes, we study their bulk structure and dynamics, as a function of salt concentration. The analysis allows to understand the formation of localized high concentrated regions as the solvent is substituted by a weakly interacting diluent species. Analysis of the electron distribution yields the reactive behavior at interfaces. Moreover, we employ tools that allow the characterization of ion and electron transport at interfaces, during the processes of solvation and desolvation occurring while cycling. For Sulfur cathodes we elucidate synthesis processes and the role of carbon-sulfur and nitrogen-sulfur interactions not only to provide electronic conductivity but also to define alternative reaction pathways during discharge of Li-S batteries. Full-cell simulations offer new insights regarding the integration of all the battery components. Our studies also include solid electrolytes and their interfaces with Li metal, S-C, and metal-oxide electrodes.

25 ENERGY STORAGE↗
DOE OSTI2026

2013 New Mexico Mid-Region Travel Survey

The 2013 New Mexico Mid-Region Travel Survey assessed travel behavior patterns to update a travel demand model for the Albuquerque Metropolitan Planning Area, which consists of Bernalillo County, Valencia County, and southern Sandoval County. It includes the cities of Albuquerque, Rio Rancho, Los Lunas, and Belen as well as some tribal lands. The Mid-Region Council of Governments contracted with Westat to conduct the survey, which included the collection of socio-demographic data and a one-day (24-hour) period of household travel behavior collected during weekdays (Monday through Friday). The survey also included a random selection of a 20% subsample of households (1,023 participants) to take part in a wearable global positioning system, technology-based component of the study, which was used to assess the level of trip under-reporting from the self-reported component of the survey.

1Hz data↗
DOE OSTI2026

Cooperative Automated Cohort Driving on Connected Infrastructure, Arterial Roadways, and Highways: Final Project Demonstration and System-of-Systems Model Correlation

This project seeks to synergize vehicle automated driving and connectivity data to improve mobility and energy efficiency of groups of mixed vehicles operating in close proximity (vehicle cohort) on various infrastructure. A custom cellular communication network links vehicles operating as a cohort with infrastructure to a centralized system-of-systems digital twin with an AI-based optimal behavior planner. The data contained in this set are from final testing and technology demonstrations to U.S. Department of Energy staff at the American Center for Mobility. The data contain single-lane, single-light scenarios; multi-lane, multi-light arterial scenarios; and limited-access highway scenarios. All test cases were derived from simulations and replicated on the test track. The project employed two and four light-duty vehicles with connectivity and drive automation for the testing. The baseline scenario without connectivity was run under the control of the system-of-systems centralized planner but operating each vehicle with an intelligent driver model controlling the velocity, lane utilization, and vehicle gap. This was to ensure the highest compatibility with the simulation in terms of dynamic behavior. The connected cohort case utilized AI optimization to perform coordinated and cooperative control for energy, as well as safe, comfortable behavior for the cohort. The dataset is appropriately named with unconnected and connected designations, with comparisons sharing the same run index number. The included PowerPoint and PDF files describe the test setup and provide an overview of results from the project. ![image](de-EE0009209_March_2023_Data_Arterial_Scenario_Results.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

1998 North Front Range (NFR) MPO

The North Front Range Travel Survey was a comprehensive study of travel behavior throughout the north front range of Colorado. The primary purpose of the survey was to provide a picture of travel patterns and characteristics of travelers in the Denver region. The survey was part of four primary surveys under the Regional Travel Behavior Inventory—a collaborative effort among the Denver Regional Council of Governments in partnership with the Regional Transportation District, the Colorado Department of Transportation, and the Regional Air Quality Council. The survey, conducted from October to January, provided demographic and household-based trip information for household members age 16 and older from 13,348 households. A 24-hour travel diary was provided to respondents to record their travel.

1Hz data↗
DOE OSTI2026

1994 SEMCOG Household-Based Person Trip Survey

The Southeast Michigan Council of Governments contracted with the Applied Management & Planning Group to conduct a travel behavior survey of 7,361 households from March 28, 1994, to June 10, 1994. The primary purpose of this study was to provide the council with a new database of travel behavior to assist in updating the region's transportation models. This data collection includes demographic, socioeconomic, travel, and mobile source emissions models for projecting future patterns of development, travel, congestion, and air pollution. Information about household characteristics and travel was collected using a one-day, activity-focused diary and a separate household survey. In an activity diary, respondents recorded 65,535 trips during the assigned the day.

1Hz data↗
DOE OSTI2026

2010-2012 California Household Travel Survey

The 2010-2012 California Household Travel Survey (CHTS) was administered by the California Department of Transportation, which collected demographic and travel behavior characteristics for residents across the entire state. At the time, it was the largest such regional or statewide survey ever conducted in the United States. Detailed travel behavior information was obtained from more than 42,500 households via multiple data-collection methods, including computer-assisted telephone interviewing, online and mail surveys, wearable (7,574 participants) and in-vehicle (2,910 vehicles) global positioning system devices, and on-board diagnostic sensors that gathered data directly from a vehicle's engine. Details of personal travel behavior were gathered within the region of residence, inter-regionally within the state, and in adjoining states and Mexico. The survey sampling plan was designed to ensure an accurate representation of the entire population of the state. The CHTS included additional features, such as vehicle-acquisition decisions, parking choices, work schedules and flexibility, use of toll lanes/priced facilities, and walk and bicycle trips, to support advanced model development.

1Hz data↗
DOE OSTI2026

2001 KIPDA Regional Household Travel Survey

The Kentuckiana Planning and Development Agency (KIPDA) conducted this four-month study from October 2000 through January 2001 to update regional travel demand models. The universe for the survey consisted of households in the five-county Louisville transportation planning study area, including Clark and Floyd counties in Indiana and Bullitt, Jefferson, and Oldham counties in Kentucky. Demographic variables and travel behavior characteristics were collected for 4,433 households in a 24-hour period. Of these, 4,113 were completed with households that were selected at random, and the remaining 320 were completed with representatives. The data from the survey only reflect travel by the selected residents of the five counties listed above and do not account for travel in the region by persons who were not residents of those five counties.

1Hz data↗
DOE OSTI2026

1990 CATS Household Travel Survey

The Chicago Area Transportation Study (CATS) 1990 Household Travel Survey was a self-administered mail-out mail-back survey. The purpose of the study was to update existing data on travel patterns and characteristics of Chicago residents. CATS surveyed the region on a county-by-county basis with the Chicago Central Business District in collaboration with the Urban Transportation Center of the University of Illinois. The study gathered demographic and travel behavior data from residents of northeastern Illinois who were 14 years old or older. 19,314 households participated in the survey. The study focused on non-work travel by motorized vehicle and by foot, and residents recorded their trips on a single travel day. Transportation-related variables include trip origin and destination, trip purpose, travel time, mode of travel used, vehicle occupancy, and walking distance (if that transit mode was involved).

1Hz data↗
DOE OSTI2019

Flux Equations for Osmotically Moderated Sorption–Diffusion Transport in Rigid Microporous Membranes

The development of non-aqueous reverse osmosis separations via the use of rigid microporous membrane materials suggests that flux equations originally developed for swellable polymeric membranes should be revisited. This paper demonstrates that the gradient of fractional occupancy of penetrant molecules within the micropores of the membrane is the driving force for permeation without requiring assumptions about pressure within the membrane. Flux equations are derived using both Fickian and Maxwell-Stefan approaches, and different behavior in the permeate flux versus upstream hydraulic pressure relationship is shown to arise as a result of differences in the loading dependence of the single component Maxwell-Stefan diffusivity. Molecular modeling results available in the literature and experimental data obtained from carbon molecular sieve (CMS) membranes showcase that these loading-dependent changes in the Maxwell-Stefan diffusivity are possible. This loading dependence is separated into three regimes: so-called “weak confinement” diffusion and “strong confinement” diffusion, both of which have been discussed at length in the literature, and a new “hybrid confinement” diffusion, which is introduced here. Furthermore, the separation mechanism of solvent molecules through a rigid bimodally microporous membrane is studied using xylene molecules passing through CMS membranes fabricated under different conditions as examples. Altogether, this study provides fundamental insight and guidance into osmotically-moderated sorption-diffusion transport of solvent molecules through rigid microporous membranes.

36 MATERIALS SCIENCE↗