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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Planning for a Resilient Home Electricity Supply System

Resilience of power systems is already a key issue that is getting frequent attention all over the world. It is useful to analyze resilience issues not only for bulk supply, but at all levels including at a customer level. This is because distributed energy resources can play a prominent role in enhancing resilience. Although the literature on planning models, tools and data for bulk supply and distribution systems have expanded in recent years, customer-centric planning, e.g., for an individual household, is yet to receive adequate attention. Although solar PV and battery storage at a household level have been analyzed, how these resources can be optimally combined, together with grid supply, from a resilience perspective is the focus of this study. The study demonstrates how a conceptual framework can be developed to show the trade-off between system costs and resilience including its dimensions such as duration, depth and frequency of service outages. A planning model is developed that incorporates multiple facets of resilience and individual customer preferences. The model considers power system resilience explicitly as a constraint. The model is implemented for a household level case study in Miami, Florida. The results show there are complex trade-offs among different dimensions of resilience. The study demonstrates how combined resilience metrics can be formulated and evaluated using the proposed least-cost planning model at a household level to optimize grid supply together with solar, battery storage and diesel generators. The model allows a planner to directly embed a resilience standard to drive the optimal supply mix. These concepts and the modeling construct can also be applied at other levels of planning, including community level and bulk supply system planning.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Crystal Structures, Local Atomic Environments, and Ion Diffusion Mechanisms of Scandium-Substituted Sodium Superionic Conductor (NASICON) Solid Electrolytes

The importance of exploring new solid electrolytes for all-solid-state batteries has led to significant interest in NASICON-type materials. In this work, the Sc 3+ -substituted NASICON compositions Na 3 Sc x Zr 2– x (SiO 4 ) 2- x (PO 4 ) 1+ x (termed N3) and Na 2 Sc y Zr 2- y (SiO 4 ) 1- y (PO 4 ) 2+ y (termed N2) ( x , y = 0–1) are studied as model Na + -ion conducting electrolytes for solid-state batteries. The influence of Sc 3+ substitution on the crystal structures and local atomic environments has been characterized by powder X-ray diffraction (XRD) and neutron powder diffraction (NPD), as well as solid-state 23 Na, 31 P, and 29 Si nuclear magnetic resonance (NMR) spectroscopy. A phase transition between 295 and 473 K from monoclinic C 2/ c to rhombohedral $R\bar{3}c$ is observed for the N3 compositions, while N2 compositions crystallize in a rhombohedral $R\bar{3}c$ unit cell in this temperature range. Alternating current (AC) impedance spectroscopy, molecular dynamics (MD), and high temperature 23 Na NMR studies are in good agreement, showing that, with a higher Sc 3+ concentration, the ionic conductivity (of about 10 -4 S/cm at 473 K) decreases and the activation energy for ion diffusion increases. 23 Na NMR experiments indicate that the nature of the Na + -ion motion is two-dimensional on the local atomic scale of NMR although the long-range diffusion pathways are three-dimensional. In addition, a combination of MD, bond valence, maximum entropy/Rietveld, and van Hove correlation methods has been used to reveal that the Na + -ion diffusion in these NASICON materials is three-dimensional and that there is a continuous exchange of sodium ions between Na(1) and Na(2) sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Life Cycle Analysis of Lithium-Ion Batteries for Automotive Applications

In light of the increasing penetration of electric vehicles (EVs) in the global vehicle market, understanding the environmental impacts of lithium-ion batteries (LIBs) that characterize the EVs is key to sustainable EV deployment. This study analyzes the cradle-to-gate total energy use, greenhouse gas emissions, SOx, NOx, PM10 emissions, and water consumption associated with current industrial production of lithium nickel manganese cobalt oxide (NMC) batteries, with the battery life cycle analysis (LCA) module in the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model, which was recently updated with primary data collected from large-scale commercial battery material producers and automotive LIB manufacturers. The results show that active cathode material, aluminum, and energy use for cell production are the major contributors to the energy and environmental impacts of NMC batteries. However, this study also notes that the impacts could change significantly, depending on where in the world the battery is produced, and where the materials are sourced. In an effort to harmonize existing LCAs of automotive LIBs and guide future research, this study also lays out differences in life cycle inventories (LCIs) for key battery materials among existing LIB LCA studies, and identifies knowledge gaps.

25 ENERGY STORAGE↗
NASA NTRS1977

A simulation model for wind energy storage systems. Volume 2: Operation manual

A comprehensive computer program (SIMWEST) developed for the modeling of wind energy/storage systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel, and pneumatic) is described. Features of the program include: a precompiler which generates computer models (in FORTRAN) of complex wind source/storage/application systems, from user specifications using the respective library components; a program which provides the techno-economic system analysis with the respective I/O the integration of system dynamics, and the iteration for conveyance of variables; and capability to evaluate economic feasibility as well as general performance of wind energy systems. The SIMWEST operation manual is presented and the usage of the SIMWEST program and the design of the library components are described. A number of example simulations intended to familiarize the user with the program's operation is given along with a listing of each SIMWEST library subroutine.

Warren, A. W.↗
DOE OSTI2017

Non-Faradaic Li + Migration and Chemical Coordination across Solid-State Battery Interfaces

Efficient and reversible charge transfer is essential to realizing high-performance solid-state batteries. Efforts to enhance charge transfer at critical electrode–electrolyte interfaces have proven successful, yet interfacial chemistry and its impact on cell function remains poorly understood. Using X-ray photoelectron spectroscopy combined with electrochemical techniques, we elucidate chemical coordination near the LiCoO 2 –LIPON interface, providing experimental validation of space-charge separation. Space-charge layers, defined by local enrichment and depletion of charges, have previously been theorized and modeled, but the unique chemistry of solid-state battery interfaces is now revealed. Here we highlight the non-Faradaic migration of Li+ ions from the electrode to the electrolyte, which reduces reversible cathodic capacity by ~15%. Inserting a thin, ion-conducting LiNbO 3 interlayer between the electrode and electrolyte, however, can reduce space-charge separation, mitigate the loss of Li+ from LiCoO 2 , and return cathodic capacity to its theoretical value. This work illustrates the importance of interfacial chemistry in understanding and improving solid-state batteries.

Gittleson, Forrest S.↗
NASA NTRS2024

Ejecta Management in a Safe Lithium Ion Battery Design

As lithium-ion battery energy densities continue to rise, managing the heat and pressure generated during failure events has become increasingly critical. Safety systems must effectively relieve pressure without releasing sparks, flames, or particulate matter, requiring robust filtration solutions. The challenge is compounded by the reduced free volume available for gas expansion in high-density designs, which increases the demands on these filters. While significant progress has been made through experimental studies and modeling efforts to understand the behavior of ejecta during battery failures, there remains a pressing need for practical, rule-of-thumb sizing parameters. These parameters would help correlate high-energy waste streams with appropriate filter design, ensuring reliable containment and safety. This talk will explore recent experimental findings in this area and discuss the potential pathways for developing these essential sizing guidelines.

Ejecta Management↗
DOE OSTI2023

Optimizing the Composite Cathode Microstructure in All‐Solid‐State Batteries by Structure‐Resolved Simulations

Abstract All‐solid‐state batteries are considered as an enabler for applications requiring high energy and power density. However, they still fall short of their theoretical potential due to various limitations. One issue is poor charge transport kinetics resulting from both material inherit limitations and non‐optimized design. Therefore, a better understanding of the relevant properties of the cathode microstructure is necessary to improve cell performance. In this article, we identify optimization potentials of the composite cathode by structure‐resolved electrochemical 3D‐simulations. In our simulation study, we investigate the influence of cathode active material fraction, density, particle size, and active material properties on cell performance. Special focus is set on the impact of grain boundaries on the cathode design. Based on our simulation results, we can predict target values for cell manufacturing and reveal promising optimization strategies for an improved cathode design.

25 ENERGY STORAGE↗
DOE OSTI2019

Probing Electrochemically Induced Structural Evolution and Oxygen Redox Reactions in Layered Lithium Iridate

In order to exploit electrochemical capacity beyond the traditionally-utilized transition metal redox reactions in lithium-metal-oxide cathode materials, it is necessary to understand the role that oxygen ions play in the charge compensation mech-anisms, i.e., to know the conditions triggering electron transfer on the oxygen ions and whether this transfer is correlated with battery capacity. Theoretical and experimental investigations of a model cathode material, Li-rich layered Li 2 IrO 3 , have been performed to study the structural and electronic changes induced by electrochemical delithiation in a lithium-ion cell. First-principles density functional theory (DFT) calculations were used to compute the voltage profile of a Li/Li 2-x IrO 3 cell at various states of charge, and the results were in good agreement with electrochemical data. Electron energy loss spectroscopy (EELS), X-ray absorption near-edge spectroscopy (XANES), resonant/non-resonant X-ray emission spectroscopy (XES), and first principles core-level spectra simulations using the Bethe Salpeter Equation (BSE) approach were used to probe the change in oxygen electronic states over the $x$ = 0 to 1.5 range. The correlated Ir M 3 -edge XANES and O K-edge XANES data provided evidence that oxygen hole states form during the early stage of delithiation at ~3.5 V due to the interaction between O $p$ and Ir $d$ states, with Ir oxidation being the dominant source of electrochemical capacity. At higher potentials, the charge capacity was predominantly attributed to oxidation of the O 2- ions. It is argued that the emergence of oxygen holes alone is not necessarily indicative of electrochemical capacity beyond transition metal oxidation, since oxygen hole states can appear as a result of enhanced mixing of O $p$ and Ir $d$ states. Prevailing mechanisms accounting for the oxygen redox mechanism in Li-rich materials were examined by theoretical and experimental X-ray spectroscopy; however, no unambiguous spectroscopic signatures of oxygen dimer interaction or non-bonding oxygen states were identified.

25 ENERGY STORAGE↗
DOE OSTI2019

A Limiting Case of Constant Counterion Electrochemical Potentials in the Membrane for Examining Ion Transfer at Ion-Exchange Membranes and Patches

We present that ion passage through ion-exchange membranes is vital in electrodialysis desalination, batteries and fuel cells, and water splitting. Simplified models of ion transport through such membranes frequently assume complete exclusion of coions (ions with the same sign of charge as the fixed charge in the membrane) from the membrane. However, a second assumption of constant counterion electrochemical potentials across the membrane leads to simple analytical expressions for ion fluxes and transmembrane potentials. Moreover, linear corrections to account for a small membrane electrical resistance yield analytical expressions with a wider applicability. For bi-ionic potential measurements and current-induced concentration polarization at low salt concentrations, these analytical solutions match the fluxes and potentials obtained numerically without the limiting assumptions. This gives confidence in both the limiting assumptions (under appropriate conditions) and the numerical solutions. At low ion concentrations, the analytical solutions may enable rapid characterization of membrane coatings or boundary layers in solution, and such boundary layers are important in many applications of ion-exchange membranes. In fact, the assumption of complete coion exclusion is sometimes more limiting than the constraint of constant electrochemical potentials of counterions across the membrane. Remarkably, this limiting case readily yields the ion accumulation and depletion regions above “ion-exchange patches” that reside beneath a solution with an applied electric field. Finally, such regions are important for sample pre-concentration in microfluidic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Approaches for handling high-dimensional cluster expansions of ionic systems

Disordered multicomponent systems attract great interest due to their engineering design flexibility and subsequent rich space of properties. However, detailed characterization of the structure and atomic correlations remains challenging and hinders full navigation of these complex spaces. A lattice cluster expansion is one tool to obtain configurational and energetic resolution. While in theory a cluster expansion can be applied to any system of any dimensionality, the method has primarily been used in binary systems or ternary alloys. Here we apply cluster expansions in high-component ionic systems, setting up the largest cluster expansion ever attempted to our knowledge. In doing so, we address and discuss challenges specific to high-component ionic systems, namely charge state assignments, structural relaxations, and rank-deficient systems. We introduce practical procedures to make the fitting and analysis of complex systems tractable, providing guidance for future computational studies of disordered ionic systems.

25 ENERGY STORAGE↗
DOE OSTI2025

Impact of electric vehicle battery recycling on reducing raw material demand and battery life-cycle carbon emissions in China

The rapid growth of electric vehicles (EVs) in China challenges raw material demand. This study evaluates the impact of recycling and reusing EV batteries on reducing material demand and carbon emissions. Integrating a national-level vehicle stock turnover model with life-cycle carbon emission assessment, we found that replacing nickel-cobalt-manganese batteries with lithium iron phosphate batteries with battery recycling can reduce lithium, cobalt, and nickel demand between 2021 and 2060 by up to 7.8 million tons (Mt) (67%), 12.4 Mt (96%), and 37.2 Mt (93%), respectively, significantly decreasing reliance on import. Moreover, battery recycling coupled with reuse can reduce carbon emissions by up to 6,532-6,864 Mt (36.0-37.9%), depending on four recycling methods employed. However, this reuse strategy delays battery recycling and risks lithium supply shortage, necessitating trade-offs between carbon reduction and material supply. Future technologies, such as lithium-sulfur and all-solid-state batteries, despite their energy efficiency, might exacerbate lithium shortage, underscoring the crucial need for increased lithium supply.

25 ENERGY STORAGE↗
DOE OSTI2022

Bibliometric review and recent advances in total scattering pair distribution function analysis: 21 years in retrospect

Global research activities have been driven by the quest to develop and characterize novel materials for technological advancements. The total scattering pair distribution function (TSPDF) is a powerful and versatile characterization technique for examining the structural details of diverse complex materials including liquid, amorphous, disordered crystalline, and nanostructured materials. Thus, it is critical to keep track of research progress, identify research gaps, and future research directions of the application of the TSPDF technique in materials development and discovery. In this work, a bibliometric analysis of literature regarding the TSPDF technique between 2000 and 2021 was conducted using datasets retrieved from the Web of Science database. The research trends based on publication outputs, research subject distribution, co-authorships among institutions, countries/regions, co-citation of referenced sources, and keyword co-occurrence are evaluated and discussed herein. The impact of the TSPDF technique is projected to increase due to its importance in probing emerging functional materials, and the advances in specialized facilities and instrumentation among the scientific communities engaged with it. Finally, current and emerging research hotspots related to TSPDF technique such as catalysis, computer modeling and simulation, pharmaceutics, machine learning, hydrogen storage, battery materials, and layered structured materials are also identified and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Co-simulation Framework for Community-scale Building-grid Integration [SWR-21-75]

Distributed energy resources (DERs), including rooftop solar, energy storage, and flexible loads, are gaining popularity as costs decline and as building owners and utilities realize their benefits. DERs can improve distribution system efficiency, help prevent the need for expensive grid upgrades, and increase the resilience of local communities. However, they can also cause difficulties in grid operations and can require controls to achieve their benefits. To address this challenge, NREL researchers have developed a community-scale solution that assesses the impacts of DERs and their control strategies on a distribution system. The framework has been shown to reduce solar photovoltaic (PV) curtailment to 0%, mitigate the adverse impact of solar variability on the distribution voltage, and provide up to 5-day critical load support during emergency events. Utilizing 5 different modules representing the feeder, buildings, home energy management systems, an aggregator, and a utility controller, NREL expects this simulation technology to play a critical role in the continued integration of DERs. According to the Energy Information Administration (EIA), solar curtailments accounted for 94% of the total energy curtailed in the California Independent System Operator (CAISO) in 2020. By enabling Independent System Operators (ISOs) and utility operators to bring solar curtailments to 0%, the electrical grid can become less dependent on fossil-fueled power generation sources. NREL's co-simulation framework contains five major components: Distribution Feeder Model: describes the distribution feeder topology using OpenDSS, including the locations of all DERs. Residential Building Model: simulates a large number of buildings at a high resolution using OCHRETM. The model is equipped to control equipment based on signals from an external module. The model includes major household appliances such as HVAC and a water heater, non-dispatchable load models, a distributed PV system, and a home battery system. Home Energy Management System: optimizes the controls for the devices in a home using foreseeTM. The control can adjust based on the user preferences including cost, comfort, and convenience. In hierarchical control scenarios, where the houses follow signals from an aggregator, the home energy management system provides a flexibility band with a range of power and follows the dispatch signals received from aggregator. Community-Level Aggregator: solves for optimal energy dispatch based on the flexibility bands received from each home and the grid service signal received from the utility controller. Utility-Level Controller: provides grid signals for voltage control using Distributed Energy Resources (DERs), such as solar systems, in the community.

Balamurugan, Sivasathya Pradha↗
DOE OSTI2026

SIRENOpt.jl

SAND2026-22945O SIRENOpt.jl is a Julia software package for prototype hybrid power, storage, and platform dynamics. It integrates solar, wind, wave, hydrokinetic, diesel, generator, converter, battery, hydrogen, desalination, mooring, and floating-platform model interfaces in an automatic-differentiation-friendly simulation framework. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Michelen Strofer, Carlos [Sandia National Lab. (SN↗
DOE OSTI2013

Framework for Human-Automation Collaboration: Conclusions from Four Studies

The Human Automation Collaboration (HAC) research project is investigating how advanced technologies that are planned for Advanced Small Modular Reactors (AdvSMR) will affect the performance and the reliability of the plant from a human factors and human performance perspective. The HAC research effort investigates the consequences of allocating functions between the operators and automated systems. More specifically, the research team is addressing how to best design the collaboration between the operators and the automated systems in a manner that has the greatest positive impact on overall plant performance and reliability. Oxstrand et al. (2013 - March) describes the efforts conducted by the researchers to identify the research needs for HAC. The research team reviewed the literature on HAC, developed a model of HAC, and identified gaps in the existing knowledge of human-automation collaboration. As described in Oxstrand et al. (2013 – June), the team then prioritized the research topics identified based on the specific needs in the context of AdvSMR. The prioritization was based on two sources of input: 1) The preliminary functions and tasks, and 2) The model of HAC. As a result, three analytical studies were planned and conduced; 1) Models of Teamwork, 2) Standardized HAC Performance Measurement Battery, and 3) Initiators and Triggering Conditions for Adaptive Automation. Additionally, one field study was also conducted at Idaho Falls Power.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

In situ Diagnostics of Coupled Electrochemical-Mechanical Properties of Solid Electrolyte Interphases on Lithium Metal Rechargeable Batteries (Final Technical Report)

The fundamental understanding of the coupled mechanical/chemical degradation of the SEI layer during lithium cycling will enable the project to identify the desirable mechanical properties on SEI/lithium as a system and the specific transport properties that enable the homogenous lithium stripping/plating while avoiding the mossy structure. Furthermore, it will allow the project to develop a highly impactful strategy to protect lithium metal and achieve dendrite free high cycle efficiency, which can dramatically increase the energy density of lithium batteries for EV applications. During past three years, four coherent steps have been taken to solve the coupled mechanical and electrochemical degradation: (1) Developed a comprehensive set of in-situ diagnostic techniques to investigate the coupled mechanical/chemical properties of SEI layer and its impact on lithium striping/plating. (2) Identified failure mechanisms of SEI/Li as a whole electrode system using in-situ electrochemical tools. (3) Established a design strategy of protective coatings on Li metal to extend the cycle life Li meal electrode. (4) Developed novel surface coatings as the artificial SEI layer to protect Li metal and significantly extend cycle life. During past 3-year budget period, we have published over 16 peer-reviewed paper, filed 7 patents, and given over 30 invited talks. 5 graduated students and 2 postdocs were supported by this project.

36 MATERIALS SCIENCE↗