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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High Efficiency Reversible Solid Oxide System (Final Technical Report)

This report was generated based upon work supported by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) under the Hydrogen and Fuel Cell Technologies Office, H2@Scale Initiative, Award Number DE-EE0008847. In this project, FuelCell Energy studied the design and performance of a system rated for 15kWe Charge/3 kWe Discharge energy storage system based on reversible solid-oxide technology.

08 HYDROGEN↗
DOE OSTI2022

A Reversed Impedance-Based Stability Criterion for IBR Grids: Preprint

The existing impedance-based stability criterion is effective for analyzing local control interactions; however, it is difficult to scale the existing criterion to analyze wide-area control interactions among numerous IBRs through a complex power system network. The scaled version of the existing criterion requires the impedance response of each IBR in the system as well as of the network looking from all the IBRs. It is quite challenging to obtain all these impedance responses because of the computational effort and the requirement of separately scanning the impedance of the network and the IBRs. We propose a reversed criterion for the impedance-based stability analysis to address these problems. In contrast to the existing criterion, the reversed criterion analyzes the stability of a power system when an IBR is disconnected from the system. The reversed criterion estimates the impact of an IBR on the frequency and damping of power system oscillation modes using the impedance scans of only the IBR and the grid at its terminal. It can be sequentially applied at different IBRs to evaluate their impact on the power system stability. In addition to scalability, the reversed criterion gives flexibility to focus only on a few selected IBRs, depending on their rating, the magnitude of oscillations observed at their terminals, and the vendor support available for implementing stabilizing control system updates. The reversed criterion is demonstrated on a 14-bus power system with 100% IBRs.

control interactions↗
DOE OSTI2021

Mesocrystallizing Nanograins for Enhanced Li + Storage

Morphology and crystallinity of electrode materials have a major effect on their charge carrier storage properties when applied in rechargeable batteries. While nanosizing electrode particles (with larger surface area) and maintaining electrode integrity are both good for performance enhancement, they seem to contradict each other and can be hardly well-balanced. Herein, we designed electrode particles consisting of numerous nanograins with uniform crystalline orientation to guarantee both high surface area and high structural integrity, allowing the significant improvement of Li + storage kinetics and performance. Applying this “mesocrystallizing” strategy to a NiCo 2 O 4 -based anode, resulting in various degrees of pseudocapacitance response, the long-term cyclability and rate performance of this material have been largely enhanced. Impressively, the mesocrystalline NiCo 2 O 4 electrode exhibits a high reversible capacity of 1403 mAh g -1 after 200 cycles at 1.6 A g -1 (a rate of 1.8 C). The growth mechanism of mesocrystalline materials with different morphologies is identified to be a topotactic strctural transition process featuring a gradual edge-to-core corrasion process. This work presents an important synthetic clue to balance the morpholgy and crystallinity of battery electrode materials for their perforamnce optimization and is expected to inspire future structural design for battery materials beyond the one prototyped here.

25 ENERGY STORAGE↗
DOE OSTI2020

In-Situ Characterization of Dynamic Morphological and Phase Changes of Selenium-doped Germanium Using a Single Particle Cell and Synchrotron Transmission X-ray Microscopy

The dynamic information of lithium-ion battery active materials obtained from coin cell-based in-situ characterizations might not represent the properties of the active material itself because many other factors in the cell could have impacts on the cell performance. To address this problem, a single particle cell was developed to perform the in-situ characterization without the interference of inactive materials in the battery electrode as well as the X-ray-induced damage. In this study, the dynamic morphological and phase changes of selenium-doped germanium (Ge 0.9 Se 0.1 ) at the single particle level were investigated via synchrotron-based in-situ transmission X-ray microscopy. The results demonstrate the good reversibility of Ge 0.9 Se 0.1 at high cycling rate that helps understand its good cycling performance and rate capability. This in-situ and operando technique based on a single particle battery cell provides an approach to understanding the dynamic electrochemical processes of battery materials during charging and discharging at the particle level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Toward Realistic Models of the Electrocatalytic Oxygen Evolution Reaction

The electrocatalytic oxygen evolution reaction (OER) supplies the protons and electrons needed to transform renewable electricity into chemicals and fuels. However, the OER is kinetically sluggish; it operates at significant rates only when the applied potential far exceeds the reversible voltage. The origin of this overpotential is hidden in a complex mechanism involving multiple electron transfers and chemical bond making/breaking steps. Our desire to improve catalytic performance has then made mechanistic studies of the OER an area of major scientific inquiry, though the complexity of the reaction has made understanding difficult. While historically, mechanistic studies have relied solely on experiment and phenomenological models, over the past twenty years ab initio simulation has been playing an increasingly important role in developing our understanding of the electrocatalytic OER and its reaction mechanisms. In this Review we cover advances in our mechanistic understanding of the OER, organized by increasing complexity in the way through which the OER is modeled. We begin with phenomenological models built using experimental data before reviewing early efforts to incorporate ab initio methods into mechanistic studies. We go on to cover how the assumptions in these early ab initio simulations-no electric field, electrolyte, or explicit kinetics-have been relaxed. Through comparison with experimental literature, we explore the veracity of these different assumptions. We summarize by discussing the most critical open challenges in developing models to understand the mechanisms of the OER.

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

Uranium Hexafluoride Hydrolysis Reaction Dynamics from Cryogenic Layering, FTIR Spectroscopy, and Isotopic Substitution

The first direct evidence that the hydrolysis reaction of uranium hexafluoride (UF 6 ) follows multiple competing pathways which are driven by the ratio of water to UF 6 , temperature, and isotopic composition is presented. Using temperature dependent infrared spectroscopy, it is shown the hydrolysis can be prevented at temperatures below 150 K, and that water-rich environments promote the formation of uranium oxyfluoride intermediates. Spectral shifts reveal isomeric transitions and the growth of polymeric species, with reaction reversibility observed at high water concentrations. Additionally, controlled heating rates affect the emergence of intermediates. The final particulate product consistently forms as uranyl fluoride hydrate, though its morphology and spectral signature vary with reaction conditions and annealing. These findings help clarify long-standing uncertainties surrounding UF 6 hydrolysis.

Chemical reactions↗
DOE OSTI2020

Durian-Inspired Design of Bismuth–Antimony Alloy Arrays for Robust Sodium Storage

Sodium-ion batteries have attracted widespread attention for cost-effective and large-scale electric energy storage. However, their practical deployment has been largely retarded by the lack of choice of efficient anode materials featuring large capacity and electrochemical stability and robustness. Herein, we report a durian-inspired design and template-free fabrication of a robust sodium anode based on triangular pyramid arrays of Bi 0.75 Sb 0.25 alloy electrodeposited on Cu substrates. The Bi 0.75 Sb 0.25 arrays exhibit an appreciable electrochemical robustness for sodium storage, sustaining a reversible capability 335 mAh g –1 at a high rate of 2.5 A g –1 and 87% of the initial capacity over 2000 cycles. We further demonstrate the applicability of the Bi 0.75 Sb 0.25 array anode in sodium full cells by pairing it with a Na 3 V 2 (PO 4 ) 3 /C cathode. This full cell achieves a high specific energy of 203 Wh kg –1 (based on both active electrodes). Such an enhanced performance is attributed to the thorny-durian-like architecture and bimetallic alloy composition. In conclusion, the pyramid tip induces ion enrichment for rapid charge-transfer reaction, while the alloy design reduces the electrode volume swelling for stable Na cycling.

25 ENERGY STORAGE↗
DOE OSTI2020

High-performance light-driven heterogeneous CO 2 catalysis with near-unity selectivity on metal phosphides

Akin to single-site homogeneous catalysis, a long sought-after goal is to achieve reaction site precision in heterogeneous catalysis for chemical control over patterns of activity, selectivity and stability. Herein, we report on metal phosphides as a class of material capable of realizing these attributes and unlock their potential in solar-driven CO 2 hydrogenation. Selected as an archetype, Ni 12 P 5 affords a structure based upon highly dispersed nickel nanoclusters integrated into a phosphorus lattice that harvest light intensely across the entire solar spectral range. Motivated by its panchromatic absorption and unique linearly bonded nickel-carbonyl-dominated reaction route, Ni 12 P 5 is found to be a photothermal catalyst for the reverse water gas shift reaction, offering a CO production rate of 960 ± 12 mmol g cat –1 h –1 , near 100% selectivity and long-term stability. Successful extension of this idea to Co2P analogs implies that metal phosphide materials are poised as a universal platform for high-rate and highly selective photothermal CO 2 catalysis.

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

Ferrite-Free Circulator for Precise Measurements of SRF Cavities with High Q-Factor

In this work, we suggest and investigate new magnetless circulators based on three resonators connected in a loop and parametrically modulated in time with mutual phase lag. The first design consists of three Fano resonators with a spectrally asymmetric response, in contrast to schemes based on the Lorentz resonators explored thus far. The second design includes three Fano-Lorentz resonators, i.e., it also possesses spatial asymmetry. We demonstrate that the asymmetric approach provides strong and reversible isolation for the practically feasible modulation amplitude and rate. The results of our work are promising for precise measurements of superconducting radio frequency cavities with high Q-factor.

43 PARTICLE ACCELERATORS↗
NASA NTRS1982

Nucleation theory - Is replacement free energy needed?

It has been suggested that the classical theory of nucleation of liquid from its vapor as developed by Volmer and Weber (1926) needs modification with a factor referred to as the replacement free energy and that the capillary approximation underlying the classical theory is in error. Here, the classical nucleation equation is derived from fluctuation theory, Gibb's result for the reversible work to form a critical nucleus, and the rate of collision of gas molecules with a surface. The capillary approximation is not used in the derivation. The chemical potential of small drops is then considered, and it is shown that the capillary approximation can be derived from thermodynamic equations. The results show that no corrections to Volmer's equation are needed.

Doremus, R. H.↗
NASA NTRS1990

Laboratory experiments on stability and entrainment of oceanic stratocumulus. Part 2: Entrainment experiment

A stratified interface is stable to the buoyancy reversal instability for surprisingly large values of D (buoyancy reversal parameter). A new instability mechanism is proposed, which considers the mixing process at the interface. For the type of density curves studied here, under strong perturbations, the mixed parcel must have a buoyancy reversal comparable to the initial stratification before the interface is unstable. This is in accord with a simple model of the interface mixing process, as well as aircraft observations of long-live marine stratocumulus clouds. These clouds' remarkable longevity in the face of finite D indicates that they can be stable (Hanson, 1984; Albrecht et al., 1985; Siems et al., 1989). It is suggested that buoyancy reversal as well as the disturbance must be large for Cloudtop Entrainment Stability. The effect of buoyancy reversal (evaporative cooling) does not always enhance the entrainment rate over that in the inert case, but it may be negligible if Ri (Richardson number) is large (Ri is larger than 50) and D is small (D is smaller than 0.5). This work may shed some light on the fundamental mechanism of the breakup process of the subtropical stratocumulus clouds into tradewind cumulus. These results may also be related to the instability in the Weddell Sea off of Antarctica.

Shy, Shenqyang S.↗
NASA NTRS2003

Reversing Flows and Heat Spike: Caused by Solar g-Modes?

The Quasi Biennial Oscillation in the Earth s upper atmosphere has an analog deep inside the Sun. As on Earth, the flow is east or west, it is at low latitude, and it reverses direction in a roughly periodic manner. The period in the solar case is 1.3 years. It was detected using solar oscillations similar to the way earthquakes are used to study the Earth's interior. But its cause was not known. We showed that global oscillations (g-modes) can supply enough angular momentum to drive zonal flows with the observed reversal period. This required a calculation of wave dissipation rates inside each flow and in the turbulent layer that separates any two flows of opposite sign. Heat that this process leaves behind causes a thermal spike inside the Sun at the same depth. This may explain an anomaly in observed sound speed that has had no sure explanation.

Mayr, Hans G.↗
NASA NTRS2012

Two Distinct Modes in One-Day Rainfall Event during MC3E Field Campaign: Analyses of Disdrometer Observations and WRF-SBM Simulation

A unique microphysical structure of rainfall is observed by the surface laser optical Particle Size and Velocity (Parsivel) disdrometers on 25 April 2011 during Midlatitude Continental Convective Clouds Experiment (MC3E). According to the systematic differences in rainfall rate and bulk effective droplet radius, the sampling data can be divided into two groups; the rainfall mostly from the deep convective clouds has relatively high rainfall rate and large bulk effective droplet radius, whereas the reverse is true for the rainfall from the shallow wrm clouds. The Weather Research and Forecasting model coupled with spectral bin microphysics (WRF-SBM) successfully reproduces the two distinct modes in the observed rainfall microphysical structure. The results show that the up-to-date model can demonstrate how the cloud physics and the weather condition on the day are involved in forming the unique rainfall characteristic.

disdrometers↗
NASA NTRSDate not supplied

Stability Analysis of the Flow over a Swept Forward-Facing Step using PIV Base Flowsin a Non-Orthogonal Coordinate System

Understanding the flow of a crossflow-vortex-dominated boundary layer over a forward-facing step excrescence is necessary in order to mitigate an early transition scenario on the wings and tail of commercial aircraft. By performing BiGlobal stability analysis on the flowfield measured with high-resolution, stereographic Particle Image Velocimetry (PIV), previous work has shown that a family of unstable disturbances exists in the direct downstream vicinity of a supercritical, forward-facing step. The goal of the present paper is to improve the previously used stability approach on two fronts: 1) the stability problem is formulated in a non-orthogonal coordinate system and 2) the contribution of the out-of-plane base-flow derivatives is accounted for locally. The resulting eigen solutions feature significantly stronger growth rates and eigenfunctions that are localized above regions of reverse flow. The changes in the problem formulation furthermore establish a significant improvement in the comparison of the stability solutions with the results from the Spectral Proper Orthogonal Decomposition (SPOD) of a time-resolved measurement of the perturbation content. A large destabilizing effect by the out-of-plane base-flow derivatives is determined to be justified, despite the assumption that these derivatives are small, because the effect can be reconstructed upon using an eigenvalue-correction formula that assumes the responsible terms are infinitesimally small. The unstable perturbation mechanisms are demonstrated to have a convective nature by assessing the relation between the frequency and the out-of-plane wavenumber, which indicates that their group speed does not approach zero. The last 2 facts, that 1) the perturbations are convective and 2) that the out-of-plane base-flow-derivative terms are small, remove any qualitative suspicions that the perturbation problem is not conducive to parabolization. This opens the path to analyzing this problem with a plane-marching approach.

Boundary- Layer Transition↗
NASA NTRS2022

The impacts of immersion ice nucleation parameterizations on Arctic mixed-phase stratiform cloud properties and the Arctic radiation budget in GEOS-5

The influence of four different immersion freezing parameterizations on Arctic clouds and the top-of-the atmosphere (TOA) and surface radiation fluxes is investigated in the fifth version of the National Aeronautics and Space Administration (NASA) Goddard Earth Observing System (GEOS-5) with sea surface temperature, sea ice fraction and aerosol emissions held fixed. The different parameterizations were derived from a variety of sources, including classical nucleation theory, field and laboratory measurements. Despite the large spread in the ice-nucleating particle (INP) concentrations in the parameterizations, the cloud properties and radiative fluxes had a tendency to form two groups, with the lower INP concentration category producing larger water path and low-level cloud fraction during winter and early spring, whereas the opposite occurred during the summer season. The stability of the lower troposphere was found to strongly correlate with low-cloud fraction, and along with the effect of ice nucleation, ice sedimentation and melting rates, appears to explain the spring-to-summer reversal pattern in the relative magnitude of the cloud properties between the two categories of simulations. The strong modulation effect of the liquid phase on immersion freezing led to the successful simulation of the characteristic Arctic cloud structure, with a layer rich in supercooled water near cloud top and ice and snow at lower levels. Comparison with satellite retrievals and in situ data suggest that simulations with low INP concentrations more realistically represent Arctic clouds and radiation.

Arctic↗
DOE OSTI2019

Boosting High-Rate Zinc-Storage Performance by the Rational Design of Mn 2 O 3 Nanoporous Architecture Cathode

Manganese oxides are regarded as one of the most promising cathode materials in rechargeable aqueous Zn-ion batteries (ZIBs) because of the low price and high security. However, the practical application of Mn 2 O 3 in ZIBs is still plagued by the low specific capacity and poor rate capability. Herein, highly crystalline Mn 2 O 3 materials with interconnected mesostructures and controllable pore sizes are obtained via a ligand-assisted self-assembly process and used as high-performance electrode materials for reversible aqueous ZIBs. The coordination degree between Mn 2+ and citric acid ligand plays a crucial role in the formation of the mesostructure, and the pore sizes can be easily tuned from 3.2 to 7.3 nm. Ascribed to the unique feature of nanoporous architectures, excellent zinc-storage performance can be achieved in ZIBs during charge/discharge processes. The Mn 2 O 3 electrode exhibits high reversible capacity (233 mAh g -1 at 0.3 A g -1 ), superior rate capability (162 mAh g -1 retains at 3.08 A g -1 ) and remarkable cycling durability over 3000 cycles at a high current rate of 3.08 A g -1 . Moreover, the corresponding electrode reaction mechanism is studied in depth according to a series of analytical methods. These results suggest that rational design of the nanoporous architecture for electrode materials can effectively improve the battery performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Phloroglucinol–2,6‐Diaminoanthraquinone as a Durable Redox Mediator for Enhancing Conversion Reaction Kinetics in Lithium‐Sulfur Batteries

Abstract Lithium‐sulfur batteries, despite being a promising solution for next‐generation secondary batteries, require substantial efforts to overcome the challenges of sluggish sulfur redox kinetics, polysulfides shuttling, and Li metal instability before achieving practical viability. Conventional strategies that utilize metal catalysts or soluble redox mediators (RMs) are limited by either impractical producing processes or unsatisfactory service life. Herein, an electrochemically active organic material, phloroglucinol – 2,6‐diaminoanthraquinone (PG‐DAAQ) is synthesized through a green and facile polymerization process to better resolve these issues. Serving as an RM at the cathode, PG‐DAAQ exhibits enduring redox activity within the sulfur operating potential window, leading to enhanced redox kinetics and sulfur utilization. Remarkably, even without any metal elements, PG‐DAAQ exhibits an excellent affinity to polysulfides, thereby suppressing the shuttling and facilitating the formation of a more favorable solid‐electrolyte interface to stabilize Li deposition at the anode. As a result, Li‐S cells employing PG‐DAAQ show significantly enhanced cycling and rate performances than the control cells. Even with a low electrolyte‐to‐sulfur ratio of 6, pouch cells with PG‐DAAQ deliver a reversible discharge capacity of 821 mA h g −1 after 100 cycles at a C/10 rate.

Lai, Tianxing↗
DOE OSTI2020

Towards the Commercialization of the All-Solid-State Li-ion Battery: Local Bonding Structure and the Reversibility of Sheet-Style Si-PAN Anodes

A slurry-coated sheet-style Si-based anode is developed for use in all-solid-state Li-ion batteries. Inexpensive, mixed-conducting polyacrylonitrile (PAN) is utilized as both binder and conductive additive, enabling Si-rich electrodes (70 wt%) to attain large reversible capacities ~1,500 mAh g-1 (Si) at 1 C rates (>3 mA cm -2 ). Cross sectional analysis of a discharged all-solid-state half-cell indicates that the Si-PAN anode achieves the largest volumetric specific capacity ever reported for a Li-ion electrode (>1500 mAh cm -3 ). Ex situ Raman spectroscopic studies reveal that the anodes' reversibility is attributed to the preservation of small tetrahedrally coordinated clusters within their Si nanoparticles upon discharge. We therefore argue that careful lithiation limitations should be implemented in all Si-based Li-ion anodes to preserve this local tetrahedral atomic structure. Furthermore, the slurry-coated sheet-style Si-PAN anodes have been successfully cycled in all-solid-state full-cells against high-voltage nickel-rich NMC 811 composite cathodes to encourage future commercialization of similar sheet-style all-solid-state designs.

25 ENERGY STORAGE↗