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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

An Ab initio based OH initiated oxidation kinetics of glycerol carbonate: A promising biofuel component

The global energy demand is steadily increasing because of the population explosion and economic growth. Fossil fuels supply around 85 % of global primary energy demand. On one hand, fulfilling the increasing energy demands is a big challenge for the next few decades. On the other hand, the continued burning of fossil fuels leads to higher CO2 emissions, severely impacting global warming. Therefore, the policymakers vow to shift from conventional fuels to renewable resources for economic, environmental, and future energy security reasons. In this context, biofuels from lignocellulosic biomass and/or carbon-neutral fuels produced in the sustainable carbon cycle can close the carbon cycle and reach net zero-carbon emission. Recently, glycerol carbonate has been proposed as a promising fuel or fuel additive for future sustainability. Therefore, we investigated the hydrogen abstraction reactions of glycerol carbonate (GC) by OH radicals using high-level ab initio and variational transition state theory calculations. We mapped out the potential energy surface using the CCSD(T)/cc-pV(D, T)Z//MP2/cc-pVTZ level of theory. Here we used the ab initio parameters to obtain the site-specific rate coefficients by employing the variational transition state theory. We observed that every hydrogen atom in GC displays a unique reactivity with OH radicals. We derived branching ratio of each channel that are difficult to access experimentally. The overall rate coefficients exhibit a strong non-Arrhenius behaviour, which can be represented as: $k^{CVT/SCT}_{ov}$ (T) = 3.39 x 10 -20 x T 2.659 x e$\frac{-750.0 Jmol^{-1}}{RT}$ $\frac{cm^{3}}{molecule s}$ This is the first reported rate data for the glycerol carbonate and OH radicals reaction.

09 BIOMASS FUELS↗
DOE OSTI2024

Enhanced Electrochemical Performance of Disordered Rocksalt Cathodes in a Localized High‐Concentration Electrolyte

Abstract Lithium (Li)‐rich transition metal oxide cathodes with a cation disordered rock salt structure (DRX) are increasingly gaining popularity for advanced Li batteries as they offer high capacity and cost benefits over the commonly used layered Li transition metal oxide cathodes. However, the performance of DRX cathodes and their applications are limited by severe side reactions between the cathode and the state‐of‐the‐art carbonate‐based electrolytes at high voltage of 4.8 V, transition metal dissolution, and structural instability of the cathode particles. In this work, an advanced localized high‐concentration electrolyte (LHCE) is developed to form a stable cathode‐electrolyte interphase and mitigate structural instability of the Li 1.13 Mn 0.66 Ti 0.21 O 2 (LMTO) DRX during electrochemical cycling. Li||LMTO half cells with the LHCE demonstrate increased capacity, cycling stability, and superior rate capability compared with cells containing a conventional carbonate electrolyte. For instance, the Li||LMTO cells cycled in LHCE show a higher initial capacity of 205.2 mAh g −1 and a better capacity retention of 72.5% after 200 cycles at a current density of 20 mA g −1 than those with the conventional electrolyte (initial capacity of 187.7 mAh g −1 and capacity retention of 19.9%). This work paves the way to the development of practical DRX cathode‐based high‐energy Li batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

ν-point energy correletors with F AST EEC: Small-x physics from LHC jets

In recent years, energy correlators have emerged as a powerful tool for studying jet substructure, with promising applications such as probing the hadronization transition, analyzing the quark-gluon plasma, and improving the precision of top quark mass measurements. The projected N-point correlator measures correlations between N final-state particles by tracking the largest separation between them, showing a scaling behavior related to DGLAP splitting functions. These correlators can be analytically continued in N, commonly referred to as ν-correlators, allowing access to non-integer moments of the splitting functions. Of particular interest is the ν → 0 limit, where the small momentum fraction behavior of the splitting functions requires resummation. Originally, the computational complexity of evaluating ν-correlators for M particles scaled as 2 2M , making it impractical for real-world analyses. However, by using recursion, we reduce this to M 2M , and through the FastEEC method of dynamically resolving subjets, M is replaced by the number of subjets. This breakthrough enables, for the first time, the computation of ν-correlators for LHC data. In practice, limiting the number of subjets to 16 is sufficient to achieve percent-level precision, which we validate using known integer-ν results and convergence tests for non-integer ν. We have implemented this in an update to FastEEC and conducted an initial study of power-law scaling in the perturbative regime as a function of ν, using CMS Open Data on jets. The results agree with DGLAP evolution, except at small ν, where the anomalous dimension saturates to a value that matches the BFKL anomalous dimension.

Energy correlators↗
DOE OSTI2020

Covalency in Fe 2 O 3 and FeO: Consequences for XPS satellite intensity

The covalent character of the interaction between the metal cation and the oxygen ligands has been examined for two Fe oxides with different nominal oxidation states, Fe(II)O, and Fe(III) 2 O 3 . The covalent character is examined for the initial, ground state configuration and for the ionic states involving the removal of a shallow core, Fe 3p, and a deep core, Fe 2p, electron. The covalency is assessed based on novel theoretical analyses of wave functions for the various cases. It is found that the covalency is considerably different for different oxidation states and for different ionized and non-ionized configurations. The changes in covalency for the ions are shown to be responsible for important changes in relaxation energies for X-Ray Photoelectron Spectroscopy (XPS) spectra and in the intensity lost from main XPS peaks to shake satellites. While these consequences are not observables themselves, they are important for the interpretation of the XPS spectra, in particular, for efforts to extract stoichiometries of these iron oxides from XPS data. This is a finding likely applicable across various 3d transition metal oxide materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

1990 Seattle Household Travel Survey Wave 2

The Seattle Household Travel Survey Wave 2, conducted in 1990, was the second wave in a 10-part longitudinal panel survey of the travel patterns of households in the Puget Sound region of Washington state. The survey series was initiated in 1989 by the Puget Sound Regional Council. Data collection for the second wave took place in the fall of 1990, which included full interviews and travel diaries, as well as some panel refreshment. Demographic and work trip data updates, but no travel diaries, were gathered for 2,023 households in four counties in the Seattle area. The survey relied on the willingness of study area residents to 1) provide demographic information about their household, its members, and its vehicles; 2) document all travel for each household member, aged 15 years or older, for an assigned two-day period; and 3) agree to participate in additional survey waves. After an initial telephone screening, survey participants received mailed travel diaries to aid in documenting travel information for the two-day assessment period. Respondents were instructed to record their mode of transportation, trip purpose, number of passengers, departure and arrival times, ride fare, and parking costs. Demographic information for this study includes age, gender, education, employment status, and household income.

1Hz data↗
DOE OSTI2026

1994 Seattle Household Travel Survey Wave 5

The Seattle Household Travel Survey Wave 5, conducted in 1994, was the fifth wave in a ten-part longitudinal panel survey of the travel patterns of households in the Puget Sound region of Washington state. The survey series was initiated in 1989 by the Puget Sound Regional Council. This collection contains the fifth set of panel data for approximately 2,000 households in King, Kitsap, Pierce, and Snohomish counties. The survey relied on the willingness of study area residents to 1) provide demographic information about their household, its members, and its vehicles; 2) document all travel for each household member, aged 15 years or older, for an assigned two-day period; and 3) agree to participate in additional survey waves. After an initial telephone screening, survey participants received mailed travel diaries to aid in documenting travel information for the two-day assessment period. Respondents were instructed to record their mode of transportation, trip purpose, number of passengers, departure and arrival times, ride fare, and parking costs. Demographic information for this study includes age, gender, education, employment status, and household income.

1Hz data↗
DOE OSTI2026

2000 Seattle Household Travel Survey Wave 9

The Seattle Household Travel Survey Wave 9, conducted in 2000, was the ninth wave in a ten-part longitudinal panel survey of the travel patterns of households in the Puget Sound region of Washington state. The survey series was initiated in 1989 by the Puget Sound Regional Council. This collection contains the ninth set of panel data for approximately 2,000 households in King, Kitsap, Pierce, and Snohomish counties. Due to various sources of attrition, approximately 20% of households needed to be replaced for each survey wave. The survey relied on the willingness of study area residents to 1) provide demographic information about their household, its members, and its vehicles; 2) document all travel for each household member, aged 15 years or older, for an assigned two-day period; and 3) agree to participate in additional survey waves. After an initial telephone screening, survey participants received mailed travel diaries to aid in documenting travel information for the two-day assessment period. Respondents were instructed to record their mode of transportation, trip purpose, number of passengers, departure and arrival times, ride fare, and parking costs. Demographic information for this study includes age, gender, education, employment status, and household income.

1Hz data↗
DOE OSTI2026

2002 Seattle Household Travel Survey Wave 10

The Seattle Household Travel Survey Wave 10, conducted in 2002, was the tenth wave in a ten-part longitudinal panel survey of the travel patterns of households in the Puget Sound region of Washington state. The survey series was initiated in 1989 by the Puget Sound Regional Council. This collection contains the tenth set of panel data for approximately 2,000 households in King, Kitsap, Pierce, and Snohomish counties. The survey relied on the willingness of study area residents to 1) provide demographic information about their household, its members, and its vehicles; 2) document all travel for each household member, aged 15 years or older, for an assigned two-day period; and 3) agree to participate in additional survey waves. After an initial telephone screening, survey participants received mailed travel diaries to aid in documenting travel information for the two-day assessment period. Respondents were instructed to record their mode of transportation, trip purpose, number of passengers, departure and arrival times, ride fare, and parking costs. Demographic information for this study includes age, gender, education, employment status, and household income.

1Hz data↗
DOE OSTI2023

An Innovative Insight into Performance Degradation of NCM111 Cathode Induced by Suspension of Operation

The lifespan of lithium-ion batteries varies enormously from fundamental study to practical applications. This big difference has been typically ascribed to the high degree of uncertainty in unpredictable and complicated operation conditions in real-life applications. Here, in this paper, we report that the pause of the charging–discharging process, which is frequently operated in practice but rarely studied in academics, is an important reason for the performance degradation of the NCM111 cathode. It is found that the pause during cycling could trigger a remarkable drop in capacity, giving rise to ~30% more capacity decay compared with the continuously cycled sample. In situ synchrotron X-ray diffraction analysis reveals that the harmful H1–H2 phase transition, which typically appears in the initial cycle but disappears in subsequent cycles, is reactivated by the pausing process. The anisotropic lattice strains that occur during the H1–H2 transition result in mechanical fractures that terminate with an inert NiO-type rock-salt phase on the surface of particles. The present study indicates that the discontinuous usage of rechargeable batteries is also a key factor for cycle life, which might provide a distinct perspective on the performance decay in practical applications.

25 ENERGY STORAGE↗
DOE OSTI2026

1992 Seattle Household Travel Survey Wave 3

The Seattle Household Travel Survey Wave 3, conducted in 1992, was the third wave in a ten-part longitudinal panel survey initiated by the Puget Sound Regional Council to assess the travel patterns of households in the Puget Sound region of Washington state. This collection contains the third set of panel data for approximately 1,700 households in King, Kitsap, Pierce, and Snohomish counties. Due to various sources of attrition, approximately 20% of households needed to be replaced for each survey wave. The survey relied on the willingness of study area residents to 1) provide demographic information about their household, its members, and its vehicles; 2) document all travel for each household member, aged 15 years or older, for an assigned two-day period; and 3) agree to participate in additional survey waves. After an initial telephone screening, survey participants received mailed travel diaries to aid in documenting travel information for the two-day assessment period. Respondents were instructed to record their mode of transportation, trip purpose, number of vehicle passengers, departure and arrival times, ride fare, and parking costs. Demographic information for this study includes age, gender, education, employment status, and household income.

1Hz data↗
DOE OSTI2026

1996 Seattle Household Travel Survey Wave 6

The Seattle Household Travel Survey Wave 6, conducted in the second and third quarters of 1996, was the sixth wave in a ten-part longitudinal panel survey of the travel patterns of households in the Puget Sound region of Washington state. The survey series was initiated in 1989 by the Puget Sound Regional Council. This collection contains the sixth set of panel data for approximately 2,000 households in King, Kitsap, Pierce, and Snohomish counties. Due to various sources of attrition, approximately 20% of households needed to be replaced for each survey wave. The survey relied on the willingness of study area residents to 1) provide demographic information about their household, its members, and its vehicles; 2) document all travel for each household member, aged 15 years or older, for an assigned two-day period; and 3) agree to participate in additional survey waves. After an initial telephone screening, survey participants received mailed travel diaries to aid in documenting travel information for the two-day assessment period. Respondents were instructed to record their mode of transportation, trip purpose, number of vehicle passengers, departure and arrival times, ride fare, and parking costs. Demographic information for this study includes age, gender, education, employment status, and household income.

1Hz data↗
DOE OSTI2026

1997 Seattle Household Travel Survey Wave 7

The Seattle Household Travel Survey Wave 7, conducted in 1997, was the seventh wave in a ten-part longitudinal panel survey initiated by the Puget Sound Regional Council to assess the travel patterns of households in the Puget Sound region of Washington state. This collection contains the seventh set of panel data for approximately 1,700 households in King, Kitsap, Pierce, and Snohomish counties. The survey relied on the willingness of study area residents to 1) provide demographic information about their household, its members, and its vehicles; 2) document all travel for each household member, aged 15 years or older, for an assigned two-day period; and 3) agree to participate in additional survey waves. After an initial telephone screening, survey participants received mailed travel diaries to aid in documenting travel information for the two-day assessment period. Respondents were instructed to record their mode of transportation, trip purpose, number of vehicle passengers, departure and arrival times, ride fare, and parking costs. Demographic information for this study includes age, gender, education, employment status, and household income.

1Hz data↗
DOE OSTI2022

Spatial heterogeneity effects on land surface modeling of water and energy partitioning

Abstract. Understanding the influence of land surface heterogeneity on surface water and energy fluxes is crucial for modeling earth system variability and change. This study investigates the effects of four dominant heterogeneity sources on land surface modeling, including atmospheric forcing (ATM), soil properties (SOIL), land use and land cover (LULC), and topography (TOPO). Our analysis focused on their impacts on the partitioning of precipitation (P) into evapotranspiration (ET) and runoff (R), partitioning of net radiation into sensible heat and latent heat, and corresponding water and energy fluxes. An initial set of 16 experiments were performed over the continental US (CONUS) using the E3SM land model (ELMv1) with different combinations of heterogeneous and homogeneous datasets. The Sobol' total and first-order sensitivity indices were utilized to quantify the relative importance of the four heterogeneity sources. Sobol' total sensitivity index measures the total heterogeneity effects induced by a given heterogeneity source, consisting of the contribution from its own heterogeneity (i.e., the first-order index) and its interactions with other heterogeneity sources. ATM and LULC are the most dominant heterogeneity sources in determining spatial variability of water and energy partitioning, mainly contributed by their own heterogeneity and slightly contributed by their interactions with other heterogeneity sources. Their heterogeneity effects are complementary, both spatially and temporally. The overall impacts of SOIL and TOPO are negligible, except TOPO dominates the spatial variability of R/P across the transitional climate zone between the arid western and humid eastern CONUS. Accounting for more heterogeneity sources improves the simulated spatial variability of water and energy fluxes when compared with ERA5-Land reanalysis dataset. An additional set of 13 experiments identified the most critical components within each heterogeneity source, which are precipitation, temperature, and longwave radiation for ATM, soil texture, and soil color for SOIL and maximum fractional saturated area parameter for TOPO.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The Snow Albedo Evolution (SALVO) Campaign at the North Slope of Alaska Field Campaign Report

The springtime surface-albedo transition in the Alaskan Arctic, along with the forces that determine its duration and nature, was the focus of the Snow ALbedo eVOlution (SALVO) campaign. The SALVO team investigated the reasons and durations of the stages of spring melt, during which albedo values decrease from 0.8 to 0.1, signifying the year’s largest and most significant radiative energy change. SALVO II (2022, 2024) built on findings from the successful SALVO I (2019) melt season campaign and previous research on the melt transition period conducted by Grenfell and Perovich (2004). SALVO used the ARM NSA observatory, thus aligning with a core principle of the ARM Decadal Vision to “provide comprehensive and impactful field measurements to support scientific advancement of atmospheric process understanding.” SALVO fieldwork was conducted in the spring near the ARM NSA Central Facility in Utqiagvik, Alaska (Figure 1). Comprehensive data sets were collected in 2019, 2022, and 2024, which included spectral and broadband albedos, snow and meltwater depths, snow stratigraphy, snow grain size data, and aerial imagery. In April of each project year, before the snow began to melt, we established survey lines at three or four locations: inland tundra at NSA E12, coastal tundra at the NSA C1 site, Elson Lagoon, and offshore on the Chukchi Sea sea ice (2022 only). We set up a 200-meter-long line, marked every five meters, to enable repeated measurements of surface albedo and snow depth at each location. During most site visits, the SALVO II team dug at least one snow pit to assess the characteristics of the vertical snow layers, including the types and sizes of snow grains, snow density, and the distribution of liquid water. We evaluated the characteristics of flowing or pooled water at the bottom of the snowpack. Watching snow melt in the Arctic has been compared by some to being as exciting as watching paint dry, but it is far more exciting and dynamic than that. Initially, changes happen slowly while the snow cover remains above 80%, but then reductions in the albedo of the landscape, from about 0.8 to 0.4, combined with rising spring temperatures, begin to accelerate the melt. It happens so quickly that no matter how hard the field team works, they cannot keep up with documenting the changes. At first, liquid water is scarce—only a few wet layers of snow in the snowpack. But then, water becomes ubiquitous, transporting melt energy and creating an extremely heterogeneous albedo and melt landscape. At the end of each field season, the SALVO team is exhausted, relieved to see the snow gone, and joyful to play in the melt ponds on the sea ice under the midnight sun. Overall, the 2024 SALVO field campaign was a highlight, reflecting numerous lessons learned from 2019 and 2022. Daily measurements were taken more than 10 times at each site, resulting in a comprehensive time series of snow conditions and albedo. The team deployed using snowmachines and then on foot when snowmachine travel was no longer permitted on the melting tundra. Instrument mounts and packaging were optimized for quick deployment, regardless of the mode of transportation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Modulating Surface Anionic Redox Chemistry toward Highly Stable Li-Rich Cathodes with Negligible Oxygen Loss

Low initial Coulombic efficiency and severe capacity/voltage fading during cycling caused by serious irreversible oxygen release, especially in the initial cycle, and resultantly induced unstable electrode/electrolyte interfacial chemistry, largely prohibit the commercial application of high-capacity Li-rich layered oxide cathodes (LLOs). Here, in this work, a dual reductive gas interface cotreatment strategy is applied to regulate the lattice oxygen redox activity and reversibility with a multiple defective structure design including Li/O/TM (TM = transition metal) vacancies and the intrinsic TM doping as well as a full-surface protective layer, which can suppress the irreversible TM migration and then undesirable phase transformation, resisting the corrosion of electrolyte during cycling effectively. Importantly, the introduced reversible SO 3 2- /SO 4 2- redox couple that provides extra capacity compensation could alleviate the distortion of oxygen-central octahedral structure and structural collapse caused by immoderate oxygen oxidation. Thus, the lattice oxygen redox chemistry is optimized, with negligible oxygen loss during the initial cycle. And the designed AS-LLO cathode with greatly enhanced structure stability shows high-capacity retentions of 99.2% at 0.3C after 100 cycles and 82.4% even after 1000 cycles at 5C. This work provides a guideline for manipulating the oxygen redox chemistry to achieve long-lifespan Li-rich layered oxide cathodes for high-energy-density lithium batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Time-Temperature-Transformation (TTT) Diagram for a Sludge Batch 9 Glass Composition Based on Coupled-Operation with the Salt Waste Processing Facility

The amorphous structure of a glass waste form has the potential to rearrange into crystalline phases at temperatures between the liquidus temperature and the glass transition temperature (Tg). Certain phases that can form will be detrimental to the durability of the glass and it is important to know the conditions that promote devitrification. The canister-centerline-cooling (CCC) profile is used to replicate the area within the center of the Defense Waste Processing Facility (DWPF) canister with the slowest cooling during the initial cool down after pouring, which has the greatest potential for crystallization. Other time-temperature conditions that cause significant changes in either phase structure or phase composition are identified by a time-temperature-transformation (TTT) study. The phase stability of a waste form must be determined as a part of the Waste Acceptance Product Specifications (WAPS) if it is to eventually be stored in a geologic repository. This requires the creation of a TTT diagram and analysis of the Tg, as defined by the Department of Energy (DOE). The previous TTT study for a DWPF glass waste form was completed in 2010 prior to coupled operation with the Salt Waste Processing Facility (SWPF). SWPF transfers two high activity waste streams to DWPF for vitrification: a cesium-containing strip effluent and a stream containing monosodium titanate/sludge solids. These SWPF streams were first transferred to DWPF for vitrification during Sludge Batch 9 (SB9) in 2021. The impact of these SWPF streams on crystallization behavior was not determined in previous studies and the need for data to satisfy WAPS Specification 1.4 for SB9 was identified.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

An experimental study on gas-liquid phase fluid migration in hydrate-bearing sediments during hydrate dissociation

Natural gas hydrate production tests face problems such as severe sand blockage, poor gas-liquid phase separation, and significant land subsidence. This is because of the insufficient understanding of the complex phase transition and gas-liquid multi-phase fluid migration during hydrate dissociation. In hydrate-bearing sediment systems, hydrate phase transition couples with gas-liquid fluid migration. The phase transition causes changes in pore structure, which in turn modifies porous infiltration parameters and fluid flow capacity. Meanwhile, alterations in phase interfaces affect key parameters like surface tension and wettability. Gas-liquid fluid migration influences heat and mass transfer, thus affecting phase equilibrium and dissociation rates. To bridge the gap in describing gas-liquid fluid migration during hydrate dissociation in experiments, this research innovatively integrated an unsteady-state gas displacement by water and a quantitative hydrate dissociation process, independently developed a multi-phase seepage experimental system suitable for hydrate dissociation and determined the relationship between seepage parameters and hydrate saturation under different porosity. The results are as follows: a) Core samples with higher initial porosity show a greater recovery rate of fluid flow capacity. b) The retarding effect of multi-phase fluid has a more significant impact on the migration of the wetting phase fluid (water) than that of the non-wetting phase fluid (methane). c) During hydrate dissociation, the evolution of absolute permeability shows an “S-shaped” pattern, and the evolution of relative permeability shows a “wiring-harness” pattern. In conclusion, the findings can provide a theoretical basis for preventing geological disasters and for geotechnical engineering design during hydrate production.

58 GEOSCIENCES↗