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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Undercooling, Rapid Solidification, and Relations to Processing in Low Earth Orbit (A Review of the Works of Bingbo Wei)

This is a survey of the published works of Prof. Bingbo Wei of the Department of Applied Physics at Northwestern Polytechnical University, Xian P.R. China. Transformations among solid - liquid - and vapor are fundamental to the foundations of life and culture on Earth. The development and understanding of materials has lead the evolution and advancement of the human race since antiquity. Materials and fluids research is continuing today, with us standing on the shoulders of those that have gone before us. Technological and scientific breakthroughs continue due to studies of greater and greater complexity, that include for example, research done at high pressures, in high magnetic fields, at temperatures near absolute zero, and in the low gravity environment of low Earth orbit. Of particular technological importance is the liquid to solid transformation of metals and alloys. Solidification processing is generally the most important factor in the final properties of objects made of metal; and undercooling is the fundamental driving force for all solidification. The interest and resources dedicated to the study of solidification and undercooling are great and World wide. For many years B. Wei and his coworkers have been studying undercooling and rapid solidification and have amassed a significant body of published research in this important field, contributing to the leading edge of the state-of-the-art. It is the goal of this memorandum to provide a review of the research of B. Wei et al.; publications in Chinese are included in the reference list but are not discussed. The bulk of Wei's work has been in the area of undercooling and rapid solidification [1-11, 13-16, 24-36] with papers dating back to 1989, the same year he earned his Ph.D. Below, discussions of Wei's undercooling and rapid solidification research have been grouped together mostly on the basis of alloy type, such as eutectic, intermetallic, or monotectic.

deGroh, Henry C., III↗
DOE OSTI2022

DEVELOPMENT OF OIL FREE CENTRIFUGAL BLOWER AS ENABLING TECHNOLOGY FOR SOLID OXIDE FUEL CELL ANODE GAS RECYCLING

Broad commercialization of solid oxide fuel cells (SOFCs), requires anode offgas recycle blowers (AORB) that are specifically designed for handling the challenging operating conditions presented by the SOFC process gases. Otherwise, they can be susceptible to frequent maintenance, low reliability, and short life. This work presents details of the development and testing of an oil-free, low cost centrifugal AORB based on compliant foil bearing (CFB) technology for support of a 100 kW solid oxide fuel cell power plant. The advantages of this novel technology are discussed, particularly its long life and maintenance-free operation, which are derived from the use of CFBs. Also included are preliminary techno-economic analysis considerations for cost-effective deployment of the technology.

03 NATURAL GAS↗
DOE OSTI2023

Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes

X-ray absorption spectroscopy (XAS) is a premier technique for materials characterization, providing key information about the local chemical environment of the absorber atom. In this work, we develop a database of sulfur K-edge XAS spectra of crystalline and amorphous lithium thiophosphate materials based on the atomic structures reported in Chem. Mater., 34, 6702 (2022). The XAS database is based on simulations using the excited electron and core-hole pseudopotential approach implemented in the Vienna Ab initio Simulation Package. Our database contains 2681 S K-edge XAS spectra for 66 crystalline and glassy structure models, making it the largest collection of first-principles computational XAS spectra for glass/ceramic lithium thiophosphates to date. This database can be used to correlate S spectral features with distinct S species based on their local coordination and short-range ordering in sulfide-based solid electrolytes. The data is openly distributed via the Materials Cloud, allowing researchers to access it for free and use it for further analysis, such as spectral fingerprinting, matching with experiments, and developing machine learning models.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Assessment of Benefits of Solid-State Advanced Manufacturing Processes for Nuclear Energy Products

The Advanced Materials and Manufacturing Technology (AMMT) program develops cross cutting technologies in support of a broad range of nuclear reactor technologies and maintains U.S. leadership in materials and manufacturing technologies for nuclear energy applications. This overall project provides the U.S. Department of Energy a critical feasibility study comparison of three solid-state processes to other AM processes, thereby providing the feasibility of the solid-state processes examined to manufacture 316H SS and ODS steel components: • Fused-filament fabrication (FFF): This work provides an initial evaluation of the impact of powder morphology and sizes on the FFF process, and the feasibility and adaptability for different material systems, to use FFF for ODS steels and 316 SS. • Shear-assisted processing and extrusion (ShAPE): Specifically for this portion of the project on ShAPE tube forming, the objectives will be to determine the feasibility to direct tube forming of high tensile strength steel tubing, specifically for ODS steel to determine the effect of the patented extrusion process on the dispersoids of the ODS material. Additionally, as often ODS powders are mechanically alloyed and therefore more platelike or angular, this feasibility was to explore the impact on the optimization process and initial feasibility of direct tube forming. • Cold spray and friction stir additive manufacturing as a stretch goal: Bulk and near net shape manufacturing processes for high-temperature, high-strength alloys are needed. Additionally, cold spray techniques can be applied in-situ at the operational level for repair and can provide multiple benefits to the nuclear industry. These tasks aim to provide information to show benefits of cold spray during the full life cycle, namely research and development, product manufacturing, and repair to mention a few key points.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Electrochemically Assisted Single Crystal Growth of Reduced Preyssler Polyoxometalates Decorated with M 2+ ( M = Co, Ni) and Cubane–Like Ni 4 O 4 Units

Polyoxometalates (POMs) are of great interest to the scientific community, and their reduction and nucleation have been well–established by multi–step techniques. The present study develops an electrochemical approach for simultaneous reduction and nucleation of polyoxometalate–containing solids. Herein we report crystal growth of reduced Preyssler polyoxotungstate–based (anionic formula [NaP 5 W 30 O 110 ] 14– ) new crystalline solids made of Preyssler anions interlinked by Co 2+ and Ni 2+ ions. Crystal nucleation and in situ reduction were achieved at room temperature using a two silver wire electrode setup in various aqueous solutions under constant applied potentials. The POM material was deposited on the cathode, and its structure was characterized by X–ray diffraction techniques. The primary structure type observed involves POMs decorated by disordered Co 2+ /Ni 2+ octahedra and fused into 1–D pillars by additional Co 2+ /Ni 2+ octahedra. Additionally, a secondary phase was observed in the Ni–based reactions, where reduced Preyssler anions are decorated by Ni 4 O 4 cubane–like units. To understand the electrochemical process, polarization curves of the electrolyte solutions are presented, suggesting an applied potential best suited for crystal growth. The work highlights the effectiveness of an electrochemical pathway where nucleation and simultaneous reduction of POMs can make novel reduced POM solids.

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

High-fidelity retrieval from instantaneous line-of-sight returns of nacelle-mounted lidar including supervised machine learning

Abstract. Wind turbine applications that leverage nacelle-mounted Doppler lidar are hampered by several sources of uncertainty in the lidar measurement, affecting both bias and random errors. Two problems encountered especially for nacelle-mounted lidar are solid interference due to intersection of the line of sight with solid objects behind, within, or in front of the measurement volume and spectral noise due primarily to limited photon capture. These two uncertainties, especially that due to solid interference, can be reduced with high-fidelity retrieval techniques (i.e., including both quality assurance/quality control and subsequent parameter estimation). Our work compares three such techniques, including conventional thresholding, advanced filtering, and a novel application of supervised machine learning with ensemble neural networks, based on their ability to reduce uncertainty introduced by the two observed nonideal spectral features while keeping data availability high. The approach leverages data from a field experiment involving a continuous-wave (CW) SpinnerLidar from the Technical University of Denmark (DTU) that provided scans of a wide range of flows both unwaked and waked by a field turbine. Independent measurements from an adjacent meteorological tower within the sampling volume permit experimental validation of the instantaneous velocity uncertainty remaining after retrieval that stems from solid interference and strong spectral noise, which is a validation that has not been performed previously. All three methods perform similarly for non-interfered returns, but the advanced filtering and machine learning techniques perform better when solid interference is present, which allows them to produce overall standard deviations of error between 0.2 and 0.3 m s−1, or a 1 %–22 % improvement versus the conventional thresholding technique, over the rotor height for the unwaked cases. Between the two improved techniques, the advanced filtering produces 3.5 % higher overall data availability, while the machine learning offers a faster runtime (i.e., ∼ 1 s to evaluate) that is therefore more commensurate with the requirements of real-time turbine control. The retrieval techniques are described in terms of application to CW lidar, though they are also relevant to pulsed lidar. Previous work by the authors (Brown and Herges, 2020) explored a novel attempt to quantify uncertainty in the output of a high-fidelity lidar retrieval technique using simulated lidar returns; this article provides true uncertainty quantification versus independent measurement and does so for three techniques rather than one.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Na 4 Fe 1.5 Mn 1.5 (PO 4 ) 2 (P 2 O 7 ): A low-cost and earth-abundant cathode for robust sodium storage

The mixed compounds of phosphates and pyrophosphates are attractive cathodes for sodium-ion batteries (SIBs) owing to their robust open framework structure and superior diffusion dynamics. However, most reported mixed phosphate cathodes generally suffer from low operating potential. Herein, we develop a bimetallic Na 4 Fe 1.5 Mn 1.5 (PO 4 ) 2 (P 2 O 7 )/C-rGO (NFMPP/C-rGO) cathode, which possesses two working plateaus at 2.92 and 3.95 V. The obtained NFMPP/C-rGO demonstrates a stable high capacity of over 120 mAh g −1 at 0.1 C. In-situ XRD characterization discloses a solid solution reaction for the Fe 2+/3+ redox couple and a two-phase reaction for the Mn 2+/3+ redox couple. In conclusion, first-principles calculations reveal the migration of Na + in NFMPP has low barriers. This work provides a new, low-cost, earth-abundant, and stable cathode choice for practical SIBs.

Cathode materials↗
DOE OSTI2023

Impact of fabrication methods on binder distribution and charge transport in composite cathodes of all-solid-state batteries

Abstract The manufacturing process of all-solid-state batteries necessitates the use of polymer binders. However, these binders, being ionic insulators by nature, can adversely affect charge transport within composite cathodes, thereby impacting the rate performance of the batteries. In this work, we aim to investigate the impact of fabrication methods, specifically the solvent-free dry process versus the slurry-cast wet process, on binder distribution and charge transport in composite cathodes of solid-state batteries. In the dry process, the binder forms a fibrous network, while the wet process results in binder coverage on the surface of cathode active materials. The difference in microstructure leads to a notable 20-fold increase in ionic conductivity in the dry-processed cathode. Consequently, the cells processed via the dry method exhibit higher capacity retention of 89% and 83% at C/3 and C/2 rates, respectively, in comparison to 68% and 58% for the wet-processed cells at the same rate. These findings provide valuable insights into the influence of fabrication methods on binder distribution and charge transport, contributing to a better understanding of the binder’s role in manufacturing of all-solid-state batteries.

Emley, Benjamin↗
DOE OSTI2017

Microstructural and microchemical studies of phase stability in V-O solid solution

Over the last couple of decades vanadium and V-based alloys have received significant attention as a potential structural material for fusion power applications because of their favourable mechanical properties under irradiation and at elevated temperatures. They are also considered as the advanced options of storage materials for hydrogen and its isotopes. However, the higher affinity of V for O, C and N poses critical challenges in its engineering applications since they lead to degradation of mechanical properties. They can further interact with the matrix to produce metallic oxy-carbo-nitride precipitates. To a certain limit, these precipitates are beneficial and can be exploited to enhance the mechanical behaviour of the alloy through suitable microstructural design. However, this requires a prior knowledge of the interaction between the alloy and the impurity solutes. In the present work vanadium specific experiments have been designed and carried out to bring out the V-interstitial solute interaction by charging oxygen in the near surface region of vanadium. Microstructural and microchemical behaviour of the V-O solid solution has been studied through HRTEM (high resolution transmission electron microscopy) and HAADF (high angle annular dark field) coupled with EELS. Quantitative electron microscopy has been carried out to study structural modification of the alloy in atomic level caused by O charging. - Highlights: •Controlled experiments were carried out in pulsed laser ablation set-up to promote V-O interaction. • As a consequence of O dissolution, V transformed into a bct structure which is otherwise a bcc structure. •In V-O solid solution, dissolved O in the V matrix introduces significant amount of lattice strain. • Present work can be extended for introducing interstitial O in other pure transition metals and their alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Solvent-Free Melt-Processed Cathode Mitigates Li Anode Instability in Polymer-Based Solid-State Batteries

Solvent-free manufacturing of battery components is a promising alternative to traditional slurry processing for reducing the cost and environmental impact. In this work, we used twin-screw melt extrusion to fabricate a polymer-based high voltage composite cathode. The melt-processed cathode is dense (near zero porosity) and thick (65 μm) and has high active material loading (80 wt %). The active particles are distributed uniformly throughout the melt-processed cathode, unlike the traditional slurry-cast cathode, which exhibits inhomogeneous particle distribution. In the melt-processed cathode, polymer and carbon form separate phases, whereas in the slurry-cast cathode they blend into a single phase. Due to these structural differences, the melt-processed cathode shows smooth charge–discharge profiles, while the slurry-cast cathode shows noisy charging and soft-shorting behavior. In conclusion, this work highlights that twin-screw extrusion as a scalable, solvent-free manufacturing method is advantageous in producing uniform cathodes, which mitigates anode instability.

25 ENERGY STORAGE↗
DOE OSTI2019

Selective Labeling and Decoration of the Ends and Sidewalls of Single-Walled Carbon Nanotubes Using Mono- and Bispecific Solid-Binding Fluorescent Proteins

Simple and robust strategies for the noncovalent functionalization of carbon nanostructures with proteins are of considerable interest in hybrid nanomaterials synthesis, part-to-part assembly, and biosensor development. In this work, we show that fusion of the Car9 and Car15 carbon-binding peptides to the C-termini of the sfGFP and mCherry fluorescent proteins enables selective labeling of the ends or the sidewalls of single walled carbon nanotubes. By installing a gold-binding peptide or a single cysteine residue in carbon-binding variants of sfGFP, we further produce heterobifunctional solid-binding proteins that support the decoration of nanotubes sidewalls or termini with gold nanoparticles. The approach described here is generic and should prove useful for the controlled assembly of other hybrid materials.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Analysis of Bioburden Associated with Nonmetallic Spacecraft Materials

Planetary Protection (PP) requirements help to ensure the integrity of life-detection science conducted on solar system bodies, particularly those with liquid water. Such requirements are often met by a combination of cleaning and verification steps to reduce microbial contamination (i.e. bioburden) to an acceptable limit. There are only two cleaning methods approved by the National and Space Administration (NASA), vapor hydrogen peroxide (VHP) and heat microbial reduction (HMR), the latter of which is the most commonly employed. However, HMR can be harsh and produce its own concerns about material integrity, like aging or increasing hardness. When bioburden reduction methods cannot be employed, the project must rely on assumed NASA specification values of bioburden which can cause compliance issues with strict PP bioburden limitations. This work aimed to more accurately define the risk of contamination of a target body by providing empirical data associated with raw materials commonly used in solid rocket motors for lander missions. In this study, we pulverized nonmetallic materials using a cryogenic grinder, then analyzed the resulting substrate for microbial colony forming units (CFU). We found that many nonmetallic materials do not harbor large bioburden when compared with the NASA specification values, though a range existed depending on the material, treatment, and handling. The results from this work provide quantitative data to help reduce concerns of contamination, while also providing a foundation for follow up studies into additional sterilization methods and molecular identification of contaminating microbes.

Planetary Protection↗
DOE OSTI2019

Kinetics of the γ–δ phase transition in energetic nitramine-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

The solid, secondary explosive nitramine-octahydro-1,3,5,7-tetranitro-1,3,5,7 or HMX has four different stable polymorphs which have different molecular conformations, crystalline structures, and densities, making structural phase transitions between these nontrivial. Previous studies of the kinetics of the β–δ HMX structural transition found this to happen by a nucleation and growth mechanism, where growth was governed by the heat of fusion, or melting, even though the phase transition temperature is more than 100 K below the melting point. A theory known as virtual melting could easily justify this since the large volume difference in the two phases creates a strain at their interface that can lower the melting point to the phase transition temperature through a relaxation of the elastic energy. To learn more about structural phase transitions in organic crystalline solids and virtual melting, here we use time-resolved X-ray diffraction to study another structural phase transition in HMX, γ–δ. Again, second order kinetics are observed which fit to the same nucleation and growth model associated with growth by melting even though the volume change in this transition is too small to lower the melting point by interfacial strain. To account for this, we present a more general model illustrating that melting over a very thin layer at the interface between the two phases reduces the total interfacial energy and is therefore thermodynamically favorable and can drive the structural phase transition in the absence of large volume changes. Finally, our work supports the idea that virtual melting may be a more generally applicable mechanism for structural phase transitions in organic crystalline solids.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Highly disordered amorphous Li-battery electrolytes

"Medium-entropy" highly disordered amorphous Li garnets, with ≥4 unique local bonding units (LBUs), hold promise for use as solid-state electrolytes in hybrid or all-solid-state batteries owing to their grain-boundary-free nature and low-temperature synthesis requirement. Through this work, we resolved the local structure of amorphous Li garnet and understood their implication for Li dynamics. These medium-entropy amorphous structures possess unique characteristics with edge- and face-sharing LBUs, not conforming to the classic Zachariasen glass formation rules, and can be synthesized in a wide but processing-friendly temperature range (<680°C). Within these amorphous structures, Li and Zr are identified as the network formers and La as network modifier, with maxima in Li dynamics observed for smaller Li-O and Zr-O coordination; this structure understanding serves as a baseline for identifying additional network formers to further modulate Li transport. In conclusion, our insight provides fundamental guidelines for the structure and phase design for amorphous Li garnets and paves the way for their integration in next-generation batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd 6 FeBi 2 and the Solid Solutions Dy 6– x Gd x FeBi 2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120–350 K

In this paper, the room-temperature magnet Gd 6 FeBi 2 was comprehensively characterized by means of temperature-dependent single-crystal X-ray diffraction, magnetization measurements, and experimental electron density and electronic structure computations. This work explores the electron-spin effects of Fe on this structure and suggests that Gd6FeBi2 shows structural features and exchange interactions, which are clearly distinguishable from other analogues, including the solid solutions Dy 6–x Gd x FeBi 2 (0 ≤ x ≤ 5). The unique traits of Gd 6 FeBi 2 and its derivatives encompass abnormal variations of lattice parameters with the temperature, as well as the presence of multiple magnetic transitions of complex nature. Based on the comprehensive analyses, it can be suggested that the unique magnetic response in this material is the result from tunable Fe spin states, which are coupled with strong Gd 5d–Fe 3d interactions, which differ from other members of this large, structural family. In the ground state, according to density functional theory calculations, the Fe atom carries two net electrons, whose spins are coupled in an antiparallel fashion to the spins of the Gd electrons. Near the Curie temperature, the Fe net moment is reduced intermittently, coupled with a multiple of magnetic transitions. The magnetic correlations are manifested in unexpected variations of the lattice parameters as a function of temperature, suggesting spin–lattice interactions. Furthermore, this study emphasizes the important role of Gd 5d electrons in tuning Fe 3d-based magnetic contribution, which enables better understanding on the spin coupling in other related compounds and sheds light on the development of new magnetic and spintronic compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A point-particle-based hydride shell-shedding model for ejecta particle transport in reactive environments

A shock wave passing over a rough or perturbed metal surface will induce a limiting case of Richtmyer–Meshkov instability and will cause small particles to eject from the surface and transport into the surrounding medium. These particles are known as ejecta and can be either solid or liquid in nature. Recent experiments have shown that liquid cerium ejecta clouds exhibit unexpected non-monotonic acceleration behaviors as well as temperature plateaus after a brief temperature rise if they are transporting in a chemically reactive, hydrogen-based medium while they act as expected in an inert medium. This work details a point-particle model developed for reactive cerium ejecta transport, which attempts to account for these new physics through the behavior of a developing solid hydride shell, which is believed to form as a product of the reaction. The overall model incorporates the effects of the reaction on the particle properties as well as the effects of potential shedding of the shell into sub-micrometer scale flakes and potential phase change of the hydride if the ejecta particles reach the melt point of the hydride layer. The model is tested by performing simulations of the original motivating experiments and comparing quantities, such as ejected mass, velocimetry, and temperature profiles, against the experimental data. While the model is able to capture many general features of the observed anomalies, some inaccuracies still exist. These point to both missing physics in the model (such as a deuterium adsorption mechanism on the hydride layer) as well as a lack of knowledge of certain material properties (such as the strength of cerium hydride to determine dynamic fracture thicknesses) needed to fully reduce the uncertainties in the model by up to an order of magnitude and perform a true attempt at model validation.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1979

Electron, electron-bremsstrahlung and proton depth-dose data for space-shielding applications

A data set has been developed, consisting of depth-dose distributions for omni-directional electron and proton fluxes incident on aluminum shields. The principal new feature of this work is the accurate treatment, based on detailed Monte Carlo calculations, of the electron-produced bremsstrahlung component. Results covering the energy region of interest in space-shielding calculations have been obtained for the absorbed dose (a) as a function of depth in a semi-infinite medium, (b) at the edge of slab shields, and (c) at the center of a solid sphere. The dose to a thin tissue-equivalent detector was obtained as well as that in aluminum. Various results and comparisons with other work are given.

Seltzer, S. M.↗
DOE OSTI2023

The nature and suppression strategies of interfacial reactions in all-solid-state batteries

Solid-state Li batteries are promising energy storage devices owing to their high safety and high theoretical energy density. However, the serious interfacial reaction between solid state electrolytes and cathodes deteriorates the battery performance, impeding the realization of long-term cyclability. The buried nature of the interphase layer presents a significant challenge in achieving a comprehensive understanding of the underlying interfacial reaction mechanisms. Herein, we systematically explore the interfacial reaction evolutions and interphase compositions and electronic properties between the popular oxide cathodes and sulfide solid electrolytes (SSEs). This includes analysis of the chemical and electrochemical reactions between cathodes/coatings and SSEs, as well as the electrochemical self-decomposition of SSEs by thermodynamic phase equilibrium analysis. Herein, we disclose that the driving force of the electrochemical reaction at the chemical potential of μ Li is much stronger than that of the chemical reaction, which dominates the interfacial reaction. Preventing the formation of an electronically conductive interphase is crucial in inhibiting the continuous interfacial degradation during long-term cycling, which can be achieved through the optimized combination of cathodes and SSEs, as well as the introduction of functional coatings between them. Based on these findings, the percentage of molar fraction ( f ) of electronically conductive species in the formed interphase is proposed as a key factor for indicating the interfacial stability for the first time. Furthermore, we propose a specific high-throughput screening scheme to filter the functional coating materials by comprehensively evaluating their functionality. The tiered screening identifies 48 coating materials with optimal properties. The work highlights the significant roles of rational coupling of the cathodes and SSEs, and optimizing interfacial coating materials for solid-state batteries. It opens new avenues for engineering an interphase with improved interfacial compatibility to realize long-term cyclability.

25 ENERGY STORAGE↗