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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

In-situ Raman Instrumentation and Measurements in Supercritical Water Oxidation Systems

Due to the advent of recent advances in reactor designs and operational procedures, renewed attention has been given to a host of supercritical water oxidation (SCWO) technology applications. This includes resource recovery, water reclamation, and solid waste destruction. SCWO is often recognized as a “green technology” because of its ability to extract useful energy while producing benign products from environmentally challenging waste streams (e.g., wet organic wastes, pharmaceutical wastes, military wastes). The present work was motivated by NASA’s interests in solid waste management and water recovery for long-duration space missions. To that end, the main focus of this paper is to present work on characterizing the behavior of supercritical water oxidation systems utilizing state of the art laser Raman spectroscopy. The main benefit of Raman diagnostics is its ability to identify chemical composition and to measure concentrations of the compounds involved in the reaction. Two separate Raman systems for SCWO measurements that have been developed for this study will be described. The first system is a 2-D traversing system useful for making in-situ measurements in conditions where spatial gradients of species and temperature are important and has been successfully utilized in making species (ethanol, oxygen, water, nitrogen and carbon dioxide) concentrations and temperature measurements in ethanol hydrothermal jet flames. The second system is a packaged modular Raman probe unit for portable deployment to different reactors and is more suitable for relatively homogeneous systems such as a batch reactor. The design, development, and examples of obtained results from both systems will be presented for various reactant streams. Reaction rate and fuel conversion estimates from chemistry models will also be presented.

supercritical water oxidation↗
DOE OSTI2021

Improved modeling of the solid-to-plasma transition of polystyrene ablator for laser direct-drive inertial confinement fusion hydrocodes

We report that the target performance of laser direct-drive inertial confinement fusion (ICF) can be limited by the development of hydrodynamic instabilities resulting from the nonhomegeneous laser absorption at the target surface, i.e., the laser imprint on the ablator. To understand and describe the formation of these instabilities, the early ablator evolution during the laser irradiation should be considered. In this work, an improved modeling of the solid-to-plasma transition of a polystyrene ablator for laser direct-drive ICF is proposed. This model is devoted to be implemented in hydrocodes dedicated to ICF which generally assume an initial plasma state. The present approach consists of the two-temperature model coupled to the electron, ion and neutral dynamics including the chemical fragmentation of polystyrene. The solid-to-plasma transition is shown to significantly influence the temporal evolution of both free electron density and temperatures, which can lead to different shock formation and propagation compared with an initial plasma state. The influence of the solid-to-plasma transition on the shock dynamics is evidenced by considering the scaling law of the pressure with respect to the laser intensity. The ablator transition is shown to modify the scaling law exponent compared with an initial plasma state.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Li 2 GeS 3 : Lithium Ionic Conductor with an Unprecedented Structural Type

Lithium-ion batteries (LIBs) are widely used in electric vehicles, mobile electronic devices, and large-scale stationary energy storage systems. However, their liquid electrolytes present significant safety concerns due to their inherent flammability. To address this, the focus has shifted toward all-solid-state batteries (ASSBs) utilizing inorganic solid electrolytes that promise enhanced safety. In this work, we report the discovery of a new crystal structural type of Li-ion conductor, Li 2 GeS 3 , with a unique structure, synthesized by a solid-state reaction from Li 2 S and GeS 2 . It was first reported in 2000 with an orthorhombic unit cell, but its detailed crystal structure remains veiled. Here, we have unveiled its structure for the first time, employing an ab initio structure determination technique from powder X-ray and time-of-flight neutron diffraction data. The compound has an unprecedented crystal structural type with a hexagonal $P6_1$ symmetry and a unit cell of α = 6.79364(4) Å and c = 17.90724(14) Å. Its structure is comprised of a distorted hexagonal close-packed arrangement of sulfur anions with three asymmetric metal atoms: Li1, Li2, and Ge are in tetrahedral cavities surrounded by sulfur atoms. The ionic conductivity of Li 2 GeS 3 was measured to be 1.63 × 10 –8 S cm –1 at 303 K and 2.45 × 10 –7 S cm –1 at 383 K. Bond valence energy landscape calculations revealed three-dimensional lithium diffusion pathways within the structure. This novel crystal structure in Li 2 GeS 3 holds the potential for developing high-performance ionic conductors through suitable chemical substitution and offers valuable insights into designing new ionic conductors for ASSBs.

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

Structure and glide of Lomer and Lomer-Cottrell dislocations: Atomistic simulations for model concentrated alloy solid solutions

Lomer (L) and Lomer-Cottrell (LC) dislocations have long been considered to be central to work hardening in face-centered cubic (FCC) metals and alloys. These dislocations act as barriers of motion for other dislocations, and can serve as sites for twin nucleation. Recent focus on multicomponent concentrated FCC solid solution alloys has resulted in many reported observations of LC dislocations. While these and L dislocations are expected to have a role in the mechanical behavior of these alloys, little is understood about how variations in composition and associated fault energies change the response of these dislocations under stress. Here we present atomistic simulations of L and LC dislocations in a model Cu-Ni system and find that changes in composition and applied stress conditions result in a wide variety of responses, including changes in core configuration and (100) glide. The results are compared to and extend previous literature related to the nature of L/LC core structures and how they vary with respect to intrinsic materials properties and stress states. This study also provides insights into mechanisms such as twin nucleation that could have important implications for work hardening in FCC solid-solution alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2012

Analyses of Noise from Reusable Solid Rocket Motor (RSRM) Firings

NASA s Space Launch Vehicle (SLS) program has chosen the Reusable Solid Rocket Motor V (RSRMV) as the booster system for initial flights. Lift off acoustics continue to be a consideration in overall vehicle vibroacoustic evaluations and launch pad modifications. Work started with the Ares program to understand solid rocket noise mechanisms is continuing through SLS program in conjunction with BYU/Blue Ridge Research Consulting.

Gee, Kent L.↗
NASA NTRS2013

Characterization of Thermal and Mechanical Impact on Aluminum Honeycomb Structures

This study supports NASA Kennedy Space Center's research in the area of intelligent thermal management systems and multifunctional thermal systems. This project addresses the evaluation of the mechanical and thermal properties of metallic cellular solid (MCS) materials; those that are lightweight; high strength, tunable, multifunctional and affordable. A portion of the work includes understanding the mechanical properties of honeycomb structured cellular solids upon impact testing under ambient, water-immersed, liquid nitrogen-cooled, and liquid nitrogen-immersed conditions. Additionally, this study will address characterization techniques of the aluminum honeycomb's ability to resist multiple high-rate loadings or impacts in varying environmental conditions, using various techniques for the quantitative and qualitative determination for commercial applicability.

Robinson, Christen M.↗
NASA NTRS1973

Water recovery and solid waste processing for aerospace and domestic applications

The work is described accomplished in compiling information needed to establish the current water supply and waste water processing requirements for dwellings, and for developing a preliminary design for a waste water to potable water management system. Data generated was used in formulation of design criteria for the preliminary design of the waste water to potable water recycling system. The system as defined was sized for a group of 500 dwelling units. Study tasks summarized include: water consumption, nature of domestic water, consumer appliances for low water consumption, water quality monitoring, baseline concept, and current and projected costs.

Murawczyk, C.↗
DOE OSTI2020

Direct observations of shock-induced melting in a porous solid using time-resolved x-ray diffraction

Here in this work we provide direct evidence of shock-induced melting and associated kinetics in a porous solid (aluminum powder) using time-resolved x-ray diffraction. Unambiguous evidence of melting in 50% porous aluminum (Al) powder samples, shocked to peak pressures between ~13 - 19 GPa, was provided by the broadening of the Debye-Scherrer ring corresponding to the (111) peak. Shocked Al powder did not melt completely in any of our experiments within the durations of measurement. Incomplete (partial) melting of the powder, even after several hundreds of nanoseconds of shock loading, provides insights into thermal transport with Al powder particles under high-pressure dynamic loading. Such insights are quite valuable for developing well-constrained melting models and thermodynamic equations of state for porous Al and other porous solids relevant to planetary and materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Simple and accurate estimation of metal, semiconductor, and insulator work functions

Work-function Φ measures the work needed for an electron to escape a solid. For simple metals, it is almost exclusively the result of the surface dipole created by spill-out of electrons from bulk into the vacuum as shown in the seminal work by Lang and Kohn [Phys. Rev. B 3, 1215 (1971)] using a jellium model. Despite a half century of intense efforts, however, such understanding has not been extended past metals. Here we present a universal model for Φ which contains a previously unrecognized bulk contribution Φ I [Phys. Rev. Lett. 121, 196802 (2018)]. By incorporating Φ I into the jellium model, we find that it dictates the dipole due to charge spill out and provides a description which applies to a wide range of materials, ranging from metals, semiconductors, to insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Solid-phase isotope harvesting of 88 Zr from a radioactive ion beam facility

During routine operation of the Facility for Rare Isotope Beams (FRIB), radionuclides will accumulate in both the aqueous beam dump and along the beamline in the process of beam purification. These byproduct radionuclides, many of which are far from stability, can be collected and purified for use in other scientific applications in a process called isotope harvesting. In this work, the viability of 88 Zr harvesting from solid components was investigated at the National Superconducting Cyclotron Laboratory. A secondary 88 Zr beam was stopped in a series of collectors comprised of Al, Cu, W, and Au foils. Here, this work details irradiation of the collector foils and the subsequent radiochemical processing to isolate the deposited 88 Zr (and its daughter 88 Y) from them. Total average recovery from the Al, Cu, and Au collector foils was (91.3 ± 8.9) % for 88 Zr and (95.0 ± 5.8) % for 88 Y, respectively, which is over three times higher recovery than in a previous aqueous-phase harvesting experiment. The utility of solid-phase isotope harvesting to access elements such as Zr that readily hydrolyze in near-neutral pH aqueous conditions has been demonstrated for application to harvesting from solid components at FRIB.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS1994

Theoretical studies of the transport properties in compound semiconductors

This final report is an overview of the work done on Cooperative Agreement NCC 3-55 with the Solid State Technology Branch of the NASA-Lewis Research Center (LeRC). Over the period of time that the agreement was in effect, the principal investigator and, in the last three years, the co-principal investigator worked on a significant number of projects and interacted with members of the Solid State Technology (SST) branch in a number of different ways. For the purpose of this report, these efforts will be divided into five categories: 1) work directly with experimental electrical transport studies conducted by members of the SST branch; 2) theoretical work on electrical transport in compound semiconductors; 3) electronic structure calculations which are relevant to the electrical transport in polytypes of SiC and SiC-AlN alloys; 4) the electronic structure calculations of polar interfaces; and 5) consultative and supportive activities related to experiments and other studies carried out by SST branch members. Work in these categories is briefly discussed.

Segall, Benjamin↗
DOE OSTI2025

Microstructure-Based Degradation Modeling in Solid Oxide Cells

The presentation is intended for a graduate class in Georgia Southern University taught by Dr. Hayri Sezer on electrochemistry, SOFC and Li ion battery. It summaries NETL's recent works on microstructure-based modeling of degradation in solid oxide cells. It covers the degradation mechanism of Ni coarsening, Ni migration and the build-up of oxygen partial pressure inside the electrolyte. The phase-field models developed for Ni coarsening and migration are reviewed and the results are compared to experiments in literature to examine different diffusion mechanisms (Ni self-diffusion, Ni(OH)2 diffusion in pores and Ni(OH) surface diffusion) and driving forces (Ni(OH)x concentration and Ni-YSZ contact angle change). It also demonstrates the developed model for oxygen partial pressure and shows that the predicted oxygen partial pressure can explain the Ni oxidation in the hydrogen electrode and crack growth on the electrolyte-oxygen electrode interface under certain operating conditions.

nickel coarsening↗
NASA NTRS1975

Thermal expansion: Metallic elements and alloys

The introductory sections of the work are devoted to the theory of thermal expansion of solids and to methods for the measurement of the linear thermal expansion of solids (X-ray methods, high speed methods, interferometry, push-rod dilatometry, etc.). The bulk of the work is devoted to numerical data on the thermal linear expansion of all the metallic elements, a large number of intermetallics, and a large number of binary alloy systems and multiple alloy systems. A comprehensive bibliography is provided along with an index to the materials examined.

Touloukian, Y. S.↗
NASA NTRS1999

The History of Solid-Propellant Rocketry: What We Do and Do Not Know

Contributions to the evolution of solid-propellant rocketry have come from a variety of sources. World War II research on large solids enabled one company to capitalize on work in the area of castable double-base propellants. Separate development of castable composite propellants led to production of Polaris and Minuteman powerplants. Pivotal to the development of these missiles were Edward Hall's advocacy of the Minuteman missile within the Air Force and contract funding to resolve problems. The discovery that adding large amounts of aluminum significantly increased the specific impulse of a castable composite propellant further aided large-missile technology. These separate lines of research led to the development of large solid-propellant motors and boosters. Many more discoveries went into the development of large solid-propellant motors. Ammonium perchlorate replaced potassium perchlorate as an oxidizer in the late 1940's, and binders were developed. Discoveries important in the evolution of large solid-propellant motors appear to have resulted from innovators' education and skills, an exposure to contemporary problems, an awareness of theory but a willingness not to let it dictate empirical investigations, and proper empirical techniques. Other important contributions are the adequate funding and exchange of information. However, many questions remain about these and other innovations.

Hunley, J. D.↗
NASA NTRS2012

Formulation and Testing of Paraffin-Based Solid Fuels Containing Energetic Additives for Hybrid Rockets

Many approaches have been considered in an effort to improve the regression rate of solid fuels for hybrid rocket applications. One promising method is to use a fuel with a fast burning rate such as paraffin wax; however, additional performance increases to the fuel regression rate are necessary to make the fuel a viable candidate to replace current launch propulsion systems. The addition of energetic and/or nano-sized particles is one way to increase mass-burning rates of the solid fuels and increase the overall performance of the hybrid rocket motor.1,2 Several paraffin-based fuel grains with various energetic additives (e.g., lithium aluminum hydride (LiAlH4) have been cast in an attempt to improve regression rates. There are two major advantages to introducing LiAlH4 additive into the solid fuel matrix: 1) the increased characteristic velocity, 2) decreased dependency of Isp on oxidizer-to-fuel ratio. The testing and characterization of these solid-fuel grains have shown that continued work is necessary to eliminate unburned/unreacted fuel in downstream sections of the test apparatus.3 Changes to the fuel matrix include higher melting point wax and smaller energetic additive particles. The reduction in particle size through various methods can result in more homogeneous grain structure. The higher melting point wax can serve to reduce the melt-layer thickness, allowing the LiAlH4 particles to react closer to the burning surface, thus increasing the heat feedback rate and fuel regression rate. In addition to the formulation of LiAlH4 and paraffin wax solid-fuel grains, liquid additives of triethylaluminum and diisobutylaluminum hydride will be included in this study. Another promising fuel formulation consideration is to incorporate a small percentage of RDX as an additive to paraffin. A novel casting technique will be used by dissolving RDX in a solvent to crystallize the energetic additive. After dissolving the RDX in a solvent chosen for its compatibility with both paraffin and RDX, the mixture will be combined with the melted paraffin. With the melting point of the paraffin far below the decomposition temperature of the RDX, the solvent will be boiled off, leaving the crystallized RDX embedded in the paraffin. At low percentages of RDX additive and with crystallized RDX surrounded by paraffin, the fuel grains will remain inert, maintaining a key benefit of hybrids in the safety of the solid fuel.

Larson, Daniel B.↗
DOE OSTI2026

From Powder to Power: Tailored Pre-Milling Strategy that Optimizes Microstructure for Efficient Hydrogen Evolution

The hydrogen evolution reaction (HER) plays a critical role in enabling large-scale electrolytic hydrogen production and advancing future technologies and fuel production. Among non-precious metals, NiMo-based catalysts are particularly attractive due to their capability to promote both water dissociation and hydrogen adsorption in alkaline media. However, conventional NiMo catalysts often suffer from incomplete alloying, particle aggregation, weak metal–support interactions, and surface oxidation, which significantly limit active site utilization, electronic conductivity, and long-term stability. Herein, we report a scalable, solid-state, two-step ball milling strategy for constructing an efficient NiMo/C catalyst for the HER. Pre-milling the metal precursors prior to carbon incorporation promotes efficient solid-state activation, leading to the formation of uniformly alloyed, ultrafine, and defect-rich Ni–Mo nanoparticles with robust metal–carbon interfacial anchoring. Benefiting from this integrated structural design, the optimized NiMo/C catalyst exhibits low overpotentials and Tafel slopes, reduced charge-transfer resistance, and excellent durability under alkaline conditions. Comprehensive structural and surface analysis reveal that the enhanced HER performance can be attributed to the synergistic interplay of homogeneous Ni–Mo alloying, uniform nanoparticle dispersion on a defect-rich carbon scaffold, enhanced accessibility of catalytically active sites, and optimized electronic coupling that stabilizes the catalyst surface. This work highlights the two-step solid-state ball milling strategy as a simple, robust, and scalable route for the preparation of effective and durable non-precious metal HER electrocatalysts, offering practical insights toward large-scale and inexpensive hydrogen production.

Yang, Xiaoxuan [Oak Ridge National Laboratory (ORN↗
DOE OSTI2023

Precise Tailoring of Lithium-Ion Transport for Ultralong-Cycling Dendrite-Free All-Solid-State Lithium Metal Batteries

All-solid-state lithium metal batteries can address crucial challenges regarding insufficient battery cycling life and energy density. The demonstration of long-cycling dendrite-free all-solid-state lithium metal batteries requires precise tailoring of lithium-ion transport of solid-state electrolytes (SSEs). Here, in this work, a proof of concept is reported for precise tailoring of lithium-ion transport of a halide SSE, Li 3 InCl 6 , including intragranular (within grains) but also intergranular (between grains) lithium-ion transport. Lithium-ion migration tailoring mechanism in crystals is developed by unexpected enhanced Li, In, and Cl vacancy populations and lower energy barrier for hopping. The lithium-ion transport tailoring mechanism between the grains is determined by the elimination of voids between grains and the formation of unexpected supersonic conducting grain boundaries, boosting the lithium dendrite suppression ability of SSE. Due to boosted lithium-ion conduction and dendrite-suppression ability, the all-solid-state lithium metal batteries coupled with Ni-rich LiNi 0.83 Co 0.12 Mn 0.05 O 2 cathodes and lithium metal anodes demonstrate breakthroughs in electrochemical performance by achieving extremely long cycling life at a high current density of 0.5 C (2000 cycles, 93.7% capacity retention). This concept of precise tailoring of lithium-ion transport provides a cost, time, and energy efficient solution to conquer the remaining challenges in all-solid-state lithium-metal batteries for fast developing electric vehicle markets.

25 ENERGY STORAGE↗
DOE OSTI2025

Decoding Antenna Behavior in Metal—Organic Frameworks

Metal–organic frameworks (MOFs) define a solid-state platform for developing artificial photosystems. Efficient anisotropic exciton migrations in these frameworks entail “antenna behavior” that can power up the distal interior reaction centers (RC), driving charge separation between donor-acceptor pairs. Reminiscent of the natural light-harvesting complex, such processes can achieve high quantum yield by exploiting the vast interior surface of the porous crystallites. It is important to understand the optimum positioning of the RC site relative to the anisotropic exciton migration path within these frameworks. The efficiency of such antenna behavior is probed here through Stern–Volmer (SV) type analysis with a series of node-anchored redox quenchers, ferrocene-carboxylate, ferrocene acetate, and dinitrobenzoate. Decoding various intrinsic processes, this work constructs a revised SV formalism in solid assembly that hosts ultrafast anisotropic exciton migration to account for the intrinsic exciton hopping rate from the extrinsic electron transfer rate, and the dimension of effective quenching. In conclusion, this transformative understanding can be applied to other relevant solid-state assemblies.

Saha, Bapan [Southern Illinois University, Carbond↗