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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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3,231 records · Page 21

Simulating hindered grain boundary diffusion using the smoothed boundary method

Abstract Grain boundaries can greatly affect the transport properties of polycrystalline materials, particularly when the grain size approaches the nanoscale. While grain boundaries often enhance diffusion by providing a fast pathway for chemical transport, some material systems, such as those of solid oxide fuel cells and battery cathode particles, exhibit the opposite behavior, where grain boundaries act to hinder diffusion. To facilitate the study of systems with hindered grain boundary diffusion, we propose a model that utilizes the smoothed boundary method to simulate the dynamic concentration evolution in polycrystalline systems. The model employs domain parameters with diffuse interfaces to describe the grains, thereby enabling solutions with explicit consideration of their complex geometries. The intrinsic error arising from the diffuse interface approach employed in our proposed model is explored by comparing the results against a sharp interface model for a variety of parameter sets. Finally, two case studies are considered to demonstrate potential applications of the model. First, a nanocrystalline yttria-stabilized zirconia solid oxide fuel cell system is investigated, and the effective diffusivities are extracted from the simulation results and are compared to the values obtained through mean-field approximations. Second, the concentration evolution during lithiation of a polycrystalline battery cathode particle is simulated to demonstrate the method’s capability.

Materials Science

Considerations for Maritime Nuclear Technologies, Economic Viability and Public Acceptance

The Maritime Nuclear Application Group (MNAG) is a working group convened by the National Reactor Innovation Center at Idaho National Laboratory (INL), the American Bureau of Shipping, and Morgan, Lewis, and Bockius LLP. This report documents an MNAG examination of considerations relevant to implementing nuclear technology in commercial maritime applications. In general, two types of use case are examined: maritime nuclear power plants and nuclear reactors used on board shipping vessels for propulsion and other ship needs. The report finds that there may be economic benefits related to maritime nuclear technologies, including the flexible deployment of maritime nuclear reactors, which would allow them to complement land-based nuclear projects, and operational differences for nuclear cargo ships that may lead to an overall increase in revenue. High-level analyses in this report show that, based on general small modular reactor and microreactor cost estimates developed by INL, maritime nuclear reactors may be economically competitive for electricity production in remote regions and for use in the propulsion of large cargo ships. Besides economic viability, public acceptance will be key to implementing maritime nuclear technologies. The report discusses the public’s current perception of nuclear technologies. Engaging with the public will be important to improving this perception. The report discusses some key benefits and risks associated with maritime nuclear technologies. Benefits include the creation of jobs, the production of reliable energy, and the potential to improve air quality. Risks that concern the public are the potential for radioactive releases during operation and decommissioning, as well as those related to waste management. Communicating the benefits and the risks of maritime nuclear technologies will be essential to improving public perception.

22 - GENERAL STUDIES OF NUCLEAR REACTORS

Crack‐Free Single‐Crystalline LiNiO 2 for High Energy Density All‐Solid‐State Batteries

Abstract Single‐crystalline layered oxide (LiNi 1‐ x ‐ y Mn x Co y O 2 ) cathodes have been found to exhibit exceptional electrochemical properties when coupled with various inorganic solid electrolytes (ISEs) in all‐solid‐state batteries (ASSBs). Their advantages stem from the robust morphological integrity with the absence of grain boundaries and the high electrochemical oxidative stability. Here, ASSBs featuring single‐crystalline LiNiO 2 (LNO) with the highest Ni content are reported, offering a high theoretical specific capacity of 275 mAh g ‐1 alongside a high average discharge voltage (3.7 V vs Li + /Li). Through a careful investigation, it is demonstrated that micron‐sized single‐crystalline LNO (µSC‐LNO) composite cathodes with a halide ISE exhibit a high initial discharge capacity of 205 mAh g ‐1 with an outstanding cycle performance over 200 cycles in room‐temperature ASSBs. The significance of engineering parameters is emphasized, such as particle size and specific density, in promoting a homogeneous and fast Li + transport within the composite cathodes. Furthermore, the formation of undesirable interphase between the halide ISE in the cathode and sulfide ISE separator is elucidated, which may be a critical factor impeding long‐term cyclability of ASSBs. This work provides insights into the design of composite cathodes for high‐energy‐density ASSBs.

Chemistry

High‐Loading Lithium‐Sulfur Batteries with Solvent‐Free Dry‐Electrode Processing

Abstract Lithium‐sulfur (Li‐S) batteries, with their high energy density, nontoxicity, and the natural abundance of sulfur, hold immense potential as the next‐generation energy storage technology. To maximize the actual energy density of the Li‐S batteries for practical applications, it is crucial to escalate the areal capacity of the sulfur cathode by fabricating an electrode with high sulfur loading. Herein, ultra‐high sulfur loading (up to 12 mg cm −2 ) cathodes are fabricated through an industrially viable and sustainable solvent‐free dry‐processing method that utilizes a polytetrafluoroethylene binder fibrillation. Due to its low porosity cathode architecture formed by the binder fibrillation process, the dry‐processed electrodes exhibit a relatively lower initial capacity compared to the slurry‐processed electrode. However, its mechanical stability is well maintained throughout the cycling without the formation of electrode cracking, demonstrating significantly superior cycling stability. Additionally, through the optimization of the dry‐processing, a single‐layer pouch cell with a loading of 9 mg cm −2 and a novel multi‐layer pouch cell that uses an aluminum mesh as its current collector with a total loading of 14 mg cm −2 are introduced. To address the reduced initial capacity of dry‐processed electrodes, strategies such as incorporating electrocatalysts or employing prelithiated active materials are suggested.

Chemistry

Modeling a Li/SOCl2 battery for design purposes

A generalized code applicable to many different electrochemical systems and geometric designs is discussed. The code is to be set up so that physical property data such as thermal conductivity, viscosity, density, and configuration (e.g. physical dimensions) are the input data. Thus, by changing these parameters many different battery configurations can be handled. The outputs, as a function of time and space, are voltage, current, temperature, pressure, velocity, and species concentration.

Ernst, D. W.

Glauber’s Salt Composites for HVAC Applications: A Study on the Use of the T-History Method with a Modified Data Evaluation Methodology

Phase change materials (PCMs) can be utilized in buildings for peak load shifting in air conditioning systems, and the use of salt hydrate-based PCMs can reduce the cost of thermal energy storage devices. Glauber’s salt is an economical salt hydrate PCM with a melting point of around 32 °C. However, the desired melting range typically falls between 18 and 22 °C for building air conditioning applications. Although many researchers have characterized Glauber’s salt and its composites with modified melting points, enthalpy–temperature curves for composites of Glauber’s salt and NaCl are unavailable. In this study, we report the melting and solidification enthalpy–temperature curves for two different composites of Glauber’s salt and NaCl with a melting point of 21 °C obtained by the T-history method. Both composites contain NaCl to suppress the melting point, borax to reduce supercooling, and sodium polyacrylate as a thickener to enhance cyclic stability. The first composite with 12 wt.% NaCl demonstrated 139 kJ·kg−1 of latent heat of fusion, and the second composite with 9 wt.% NaCl demonstrated 171 kJ·kg−1. Both the composites have high volumetric energy densities compared to their organic counterparts with similar melting points.

Chemistry

Bioinspired Dry‐Steam Superinsulation Straw Foam

Abstract Cellulosic materials offer sustainable advantages for building energy conservation. However, their development has been hindered by reduced thermal performance, often caused by structural collapse during the transition from solution to solid. Inspired by natural goose down, a bio‐based, lightweight insulation foam derived from agricultural waste straw is presented. Through in situ synthesis, bio‐silica fibers with branched structures capable of supporting hollow silica microspheres are fabricated. After steam‐mediated processing, the resulting foam exhibit low density (95 mg cm − 3 ), high porosity (95.5%), low thermal conductivity (0.03 ± 0.003 W mK −1 ), and a cyclic compressive strength of 90 kPa at 50% strain. Owing to the synergistic microstructure formed by branched bio‐fibers and hollow silica spheres, the bio‐silica foam exhibit outstanding thermal insulation performance relative to other bio‐based foams prepared by ambient drying. A passivated insulation panel is further developed by incorporating this material as the core component, achieving a thermal conductivity of 0.0275 W mk −1 and flexural strength of 6.85 MPa. The panel demonstrated durability with stable thermal performance throughout a 60‐day outdoor test. Moreover, the bio‐silica foam shows a carbon footprint of 7.50 kgCO₂ kg −1 at 70.2 wt.% silica, highlighting its promise as a sustainable insulation solution for green buildings.

Chemistry

Quantum graph models for transport in filamentary switching

The formation of metallic nanofilaments bridging two electrodes across an insulator is a mechanism for resistive switching. Examples of such phenomena include atomic synapses, which constitute a distinct class of memristive devices the behavior of which is closely tied to the properties of the filament. Until recently, experimental investigation of the low-temperature regime and quantum transport effects has been limited. However, with growing interest in understanding the true impacts of the filament on device conductance, comprehending quantum effects has become crucial for quantum neuromorphic hardware. Here, we discuss quantum transport resulting from filamentary switching in a narrow region where the continuous approximation of the contact is not valid, and only a few atoms are involved. In this scenario, the filament can be represented by a graph depicting the adjacency of atoms and the overlap between atomic orbitals. Using the theory of quantum graphs with locally diffusive node scattering, we calculate the scattering amplitude of charge carriers on this graph and explore the interplay between filamentary formation and quantum transport effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

Development of a Thermal Radiator Optimization Tool with Alternate Coolants

The development of a modeling tool to optimize the design of a thermal radiator based on capacity, rejection temperature, geometry, type and coolant is presented. The radiator size is determined from the desired capacity, environmental conditions and rejection temperature. Flow through the radiator is derived from the overall heat load and prescribed inlet to outlet delta temperature for a given coolant. The tool considers radiator geometry (i.e., tube spacing and diameter, face-sheet thickness, overall size, etc.) and general type (i.e., parallel/manifold versus serpentine) in the optimization. Selection from a handful of potential coolants is also available in the tool which primarily affects necessary tube diameter to maintain turbulent flow and minimize pressure drop. An Equivalent System Mass (ESM) approach is utilized to include pump power in the optimization. Results from the tool and potential future enhancements are also discussed.

Coolant

Robust Biaxial Anisotropy and Switchable Néel Vectors in LaFeO 3 Epitaxial Films

Antiferromagnets with highly stable but switchable Néel vectors are desired for antiferromagnetic spintronics with ultrafast speed and terahertz frequencies. Electrical switching of antiferromagnetic insulators has been demonstrated using binary antiferromagnets, while large families of complex antiferromagnets such as perovskites are largely unexplored. Here, we show that epitaxial LaFeO 3 thin films on SrTiO 3 (001) exhibit clear, robust biaxial anisotropy with a spin-flop field of a few tesla. Angular-dependent spin-Hall magnetoresistance (SMR) characterizations of Pt/LaFeO 3 bilayers with the current channel along SrTiO 3 [100] and [110] reveal distinct, intriguing shapes and field dependence. Simulations using a macrospin model accurately describe the main behavior and fine features of the SMR data from which key antiferromagnetic parameters are extracted. Furthermore, remanent SMR measurement confirms the high fidelity of the Néel vector along either easy axis of the biaxial anisotropy, indicating that epitaxial films of LaFeO 3 and potentially other perovskite antiferromagnets offer an attractive platform for antiferromagnetic spintronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

Collective excitations and low-energy ionization signatures of relativistic particles in silicon detectors

Abstract Solid-state detectors with a low energy threshold have several applications, including searches of non-relativistic halo dark-matter particles with sub-GeV masses. When searching for relativistic, beyond-the-Standard-Model particles with enhanced cross sections for small energy transfers, a small detector with a low energy threshold may have better sensitivity than a larger detector with a higher energy threshold. In this paper, we calculate the low-energy ionization spectrum from high-velocity particles scattering in a dielectric material. We consider the full material response including the excitation of bulk plasmons. We generalize the energy-loss function to relativistic kinematics, and benchmark existing tools used for halo dark-matter scattering against electron energy-loss spectroscopy data. Compared to calculations commonly used in the literature, such as the Photo-Absorption-Ionization model or the free-electron model, including collective effects shifts the recoil ionization spectrum towards higher energies, typically peaking around 4–6 electron-hole pairs. We apply our results to the three benchmark examples: millicharged particles produced in a beam, neutrinos with a magnetic dipole moment produced in a reactor, and upscattered dark-matter particles. Our results show that the proper inclusion of collective effects typically enhances a detector’s sensitivity to these particles, since detector backgrounds, such as dark counts, peak at lower energies.

Physics

Comprehensive structural characterization of charged polymers involved in moisture-driven direct air capture

This study provides a comprehensive structural characterization of commercially available alkaline anion-exchange polymers (Fumasep FAA-3 and IRA 900) used in moisture-driven direct air capture (DAC) of carbon dioxide. Using X-ray diffraction, SAXS/WAXS, atomic force microscopy, FIB-SEM, and transmission electron microscopy, the authors identify nanoscale clustering, porosity, swelling behavior, and humidity-dependent structural changes that influence CO₂ adsorption and release. These findings establish structure–function relationships critical for designing more durable and energy-efficient DAC polymer materials.

36 MATERIALS SCIENCE

Autonomous Radiation Cartographer (ARC) System Training Manual

This training manual is designed to provide end users with a comprehensive knowledge base for the safe and effective use of the Autonomous Radiation Cartographer (ARC) System. The ARC is a fully autonomous radiation detection robot based on the Spot Robot platform manufactured by Boston Dynamics.

42 ENGINEERING

In-Orbit Earth Radiation Budget Satellite (ERBS) Battery Switch

A viewgraph presentation outlines the Earth Radiation Budget Satellite (ERBS) power system and battery history. ERBS spacecraft and battery cell failures are listed with the reasons for failure. The battery management decision and stabilization of the batteries is discussed. Present battery operations are shown to be successful.

Ahmad, Anisa