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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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33 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Enhanced Conductivity via Homopolymer-Rich Pathways in Block Polymer-Blended Electrolytes

The optimization of ionic conductivity and lithium-ion battery stability can be achieved by independently tuning the ion transport and mechanical robustness of block polymer (BP) electrolytes. However, the ionic conductivity of BP electrolytes is inherently limited by the covalent attachment of the ionically conductive block to the mechanically robust block, among other factors. Herein, the BP electrolyte polystyrene-block-poly(oligo-oxyethylene methacrylate) [PS-b-POEM] was blended with POEM homopolymers of varying molecular weights. The incorporation of a higher molecular weight homopolymer additive (α > 1 state) promoted a “dry brush-like” homopolymer distribution within the BP self-assembly and led to higher lithium salt concentrations in the more mobile homopolymer-rich region, increasing overall ionic conductivity relative to the “wet brush-like” (α < 1 state) and unblended composites, where α is the molecular weight ratio between the POEM homopolymer and the POEM block in the copolymer. Here, neutron and X-ray reflectometry (NR and XRR, respectively) provided additional details on the lithium salt and polymer distributions. From XRR, the α > 1 blends showed increased interfacial widths in comparison to their BP (unblended) or α < 1 counterparts because of the more central distribution of the homopolymer. This result, paired with NR data that suggested even salt concentrations across the POEM domains, implied that there was a higher salt concentration in the homopolymer POEM-rich regions in the dry brush blend than in the wet brush blend. Furthermore, using 7 Li solid-state nuclear magnetic resonance spectroscopy, we found a temperature corresponding to a transition in lithium mobility (T Li mobility ) that was a function of blend type. T Li mobility was found to be 39 °C above T g in all cases. Interestingly, the ionic conductivity of the blended BPs was highest in the α > 1 composites, even though these composites had higher T g s than the α < 1 composites, demonstrating that homopolymer-rich conducting pathways formed in the α > 1 assemblies had a larger influence on conductivity than the greater lithium ion mobility in the α < 1 blends.

25 ENERGY STORAGE↗
DOE OSTI2021

Spatially Resolved Potential and Li-Ion Distributions Reveal Performance-Limiting Regions in Solid-State Batteries

The performance of solid-state electrochemical systems is intimately tied to the potential and lithium distributions across electrolyte–electrode junctions that give rise to interface impedance. Here, we combine two operando methods, Kelvin probe force microscopy (KPFM) and neutron depth profiling (NDP), to identify the rate-limiting interface in operating Si-LiPON-LiCoO 2 solid-state batteries by mapping the contact potential difference (CPD) and the corresponding Li distributions. The contributions from ions, electrons, and interfaces are deconvolved by correlating the CPD profiles with Li-concentration profiles and by comparisons with first-principles-informed modeling. Furthermore, we find that the largest potential drop and variation in the Li concentration occur at the anode–electrolyte interface, with a smaller drop at the cathode–electrolyte interface and a shallow gradient within the bulk electrolyte. Correlating these results with electrochemical impedance spectroscopy following battery cycling at low and high rates confirms a long-standing conjecture linking large potential drops with a rate-limiting interfacial process.

25 ENERGY STORAGE↗
DOE OSTI2017

Perovskite nickelates as electric-field sensors in salt water

Designing materials to function in harsh environments, such as conductive aqueous media, is a problem of broad interest to a range of technologies, including energy, ocean monitoring and biological applications. The main challenge is to retain the stability and morphology of the material as it interacts dynamically with the surrounding environment. Materials that respond to mild stimuli through collective phase transitions and amplify signals could open up new avenues for sensing. Here we present the discovery of an electric-field-driven, water-mediated reversible phase change in a perovskite-structured nickelate, SmNiO 3 . This prototypical strongly correlated quantum material is stable in salt water, does not corrode, and allows exchange of protons with the surrounding water at ambient temperature, with the concurrent modification in electrical resistance and optical properties being capable of multi-modal readout. Besides operating both as thermistors and pH sensors, devices made of this material can detect sub-volt electric potentials in salt water. Finally, we postulate that such devices could be used in oceanic environments for monitoring electrical signals from various maritime vessels and sea creatures

36 MATERIALS SCIENCE↗
DOE OSTI2019

Integrating machine learning and multiscale modeling—perspectives, challenges, and opportunities in the biological, biomedical, and behavioral sciences

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret these data to advance human health. The recent rise of machine learning as a powerful technique to integrate multimodality, multifidelity data, and reveal correlations between intertwined phenomena presents a special opportunityin this regard. However, classical machine learning techniques often ignore the fundamental laws of physics and result in ill-posed problems or non-physical solutions. Multiscale modeling is a successful strategy to integrate multiscale, multiphysics data and uncover mechanisms that explain the emergence of function. However, multiscale modeling alone often fails to efficiently combine large data sets from different sources and different levels of resolution. Here we demonstrate that machine learning and multiscale modeling can naturally complement each other to create robust predictive models that integrate the underlying physics to manage ill-posed problems and explore massive design spaces. We critically review the current literature, highlight applications and opportunities, address open questions, and discuss potential challenges and limitations in four overarching topical areas: ordinary differential equations, partial differential equations, data-driven approaches, and theory-driven approaches. Towards these goals, we leverage expertise in applied mathematics, computer science, computational biology, biophysics, biomechanics, engineering mechanics, experimentation, and medicine. Our multidisciplinary perspective suggests that integrating machine learning and multiscale modeling can provide new insights into disease mechanisms, help identify new targets and treatment strategies, and inform decision making for the benefit of human health.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

All-temperature zinc batteries with high-entropy aqueous electrolyte

Electrification of transportation and rising demand for grid energy storage continue to build momentum around batteries across the globe. However, the supply chain of Li-ion batteries is exposed to the increasing challenges of resourcing essential and scarce materials. Therefore, incentives to develop more sustainable battery chemistries are growing. Here, in this paper, we show an aqueous ZnCl 2 electrolyte with introduced LiCl as supporting salt. Once the electrolyte is optimized to Li 2 ZnCl 4 ∙9H 2 O, the assembled Zn–air battery can sustain stable cycling over the course of 800 hours at a current density of 0.4 mA cm -2 between -60 °C and +80 °C, with 100% Coulombic efficiency for Zn stripping/plating. Even at -60 °C, >80% of room-temperature power density can be retained. Advanced characterization and theoretical calculations reveal a high-entropy solvation structure that is responsible for the excellent performance. The strong acidity allows ZnCl 2 to accept donated Cl - ions to form ZnCl 4 2- anions, while water molecules remain within the free solvent network at low salt concentration or coordinate with Li ions. Our work suggests an effective strategy for the rational design of electrolytes that could enable next-generation Zn batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Increased flood exposure in the Pacific Northwest following earthquake-driven subsidence and sea-level rise

Climate-driven sea-level rise is increasing the frequency of coastal flooding worldwide, exacerbated locally by factors like land subsidence from groundwater and resource extraction. However, a process rarely considered in future sea-level rise scenarios is sudden (over minutes) land subsidence associated with great (>M8) earthquakes, which can exceed 1 m. Along the Washington, Oregon, and northern California coasts, the next great Cascadia subduction zone earthquake could cause up to 2 m of sudden coastal subsidence, dramatically raising sea level, expanding floodplains, and increasing the flood risk to local communities. Here, we quantify the potential expansion of the 1% floodplain (i.e., the area with an annual flood risk of 1%) under low (~0.5 m), medium (~1 m), and high (~2 m) earthquake-driven subsidence scenarios at 24 Cascadia estuaries. If a great earthquake occurred today, floodplains could expand by 90 km 2 (low), 160 km 2 (medium), or 300 km 2 (high subsidence), more than doubling the flooding exposure of residents, structures, and roads under the high subsidence scenario. By 2100, when climate-driven sea-level rise will compound the hazard, a great earthquake could expand floodplains by 170 km 2 (low), 240 km 2 (medium), or 370 km 2 (high subsidence), more than tripling the flooding exposure of residents, structures, and roads under the high subsidence scenario compared to the 2023 floodplain. Our findings can support decision-makers and coastal communities along the Cascadia subduction zone as they prepare for compound hazards from the earthquake cycle and climate-driven sea-level rise and provide critical insights for tectonically active coastlines globally.

Science & Technology - Other Topics↗
DOE OSTI2020

The SONATA data format for efficient description of large-scale network models

Increasing availability of comprehensive experimental datasets and of high-performance computing resources are driving rapid growth in scale, complexity, and biological realism of computational models in neuroscience. To support construction and simulation, as well as sharing of such large-scale models, a broadly applicable, flexible, and high-performance data format is necessary. To address this need, we have developed the Scalable Open Network Architecture TemplAte (SONATA) data format. It is designed for memory and computational efficiency and works across multiple platforms. The format represents neuronal circuits and simulation inputs and outputs via standardized files and provides much flexibility for adding new conventions or extensions. SONATA is used in multiple modeling and visualization tools, and we also provide reference Application Programming Interfaces and model examples to catalyze further adoption. SONATA format is free and open for the community to use and build upon with the goal of enabling efficient model building, sharing, and reproducibility.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

How the U.S. Power Grid Kept the Lights on in Summer 2024

Maintaining the reliability of the bulk power system, which supplies and transmits electricity, is a critical priority of electric grid planners, operators, and regulators. As demand for electricity increases and the U.S. resource mix changes, how grid operators meet peak demand is changing. In summer 2024, grid operators in all regions maintained enough capacity to keep the lights and air conditioners on during periods of peak demand, even as older generators have been retired. And, an increasing number of regions used more solar and storage to meet peak demand. In this publication, we describe grid operations on the highest demand day in ERCOT and a few other regions and how solar and storage in particular worked together to help meet peak demand.

14 SOLAR ENERGY↗
DOE OSTI2025

Regional Energy Deployment System (ReEDS) Model Documentation: 2025

The Regional Energy Deployment System (ReEDS) model is a capacity expansion and dispatch model that is primarily used for the contiguous U.S. electric power sector. The model relies on system-wide least cost optimization to estimate the type and location of future generation and transmission capacity. This document describes details of how the model is formulated, how it functions, and many of the key inputs.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Self-Assembly of Magnetic Nanoparticles in Ferrofluids on Different Templates Investigated by Neutron Reflectometry

In this article we review the process by which magnetite nanoparticles self-assemble onto solid surfaces. The focus is on neutron reflectometry studies providing information on the density and magnetization depth profiles of buried interfaces. Specific attention is given to the near-interface "wetting" layer and to examples of magnetite nanoparticles on a hydrophilic silicon crystal, one coated with (3-Aminopropyl)triethoxysilane, and finally, one with a magnetic film with out-of-plane magnetization.

Theis-Bröhl, Katharina↗
NASA NTRS2022

Atmospheric Energy Spectra in Global Kilometre-Scale Models

Eleven 40-day long integrations of five different global models with horizontal resolutions of less than 9 km are compared in terms of their global energy spectra. The method of normal-mode function decomposition is used to distinguish between balanced (Rossby wave; RW) and unbalanced (inertia-gravity wave; IGW) circulation. The simulations produce the expected canonical shape of the spectra, but their spectral slopes at mesoscales, and the zonal scale at which RW and IGW spectra intersect differ significantly. The partitioning of total wave energies into RWs an IGWs is most sensitive to the turbulence closure scheme and this partitioning is what determines the spectral crossing scale in the simulations, which differs by a factor of up to two. It implies that care must be taken when using simple spatial filtering to compare gravity wave phenomena in storm-resolving simulations, even when the model horizontal resolutions are similar. In contrast to the energy partitioning between the RWs and IGWs, changes in turbulence closure schemes do not seem to strongly affect spectral slopes, which only exhibit major differences at mesoscales. Despite their minor contribution to the global (horizontal kinetic plus potential available) energy, small scales are important for driving the global mean circulation. Our results support the conclusions of previous studies that the strength of convection is a relevant factor for explaining discrepancies in the energies at small scales. The models studied here produce the major large-scale features of tropical precipitation patterns. However, particularly at large horizontal wavenumbers, the spectra of upper tropospheric vertical velocity, which is a good indicator for the strength of deep convection, differ by factors of three or more in energy. High vertical kinetic energies at small scales are mostly found in those models that do not use any convective parameterisation.

DYAMOND↗