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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Project Plan: Salt in Situ Heater Test

This project plan gives a high-level description of the US Department of Energy Office of Nuclear Energy (DOE-NE) Spent Fuel and Waste Disposition (SFWD) campaign in situ borehole heater test project planned for the Waste Isolation Pilot Plant (WIPP) site, titled the Brine Availability Test in Salt (BATS). BATS is the first stage in a planned sequence of tests to bolster the technical basis for disposal of heat generating waste in salt. This plan provides an overview of the schedule and responsibilities of the parties involved. This project is a collaborative effort by Sandia, Los Alamos, and Lawrence Berkeley National Laboratories to execute a series of small-diameter borehole heater tests in salt for the DOE-NE SFWD campaign. Design of a heater test in salt at WIPP has evolved over several years. The experiment has begun in January 2020 and the first phase will continue for several months with the possibility for follow on testing. BATS comprises a suite of modular tests, which consist of a group of adjacent horizontal boreholes in the wall of drifts at WIPP. Each test is centered around a packer-isolated heated borehole (12.2 cm [4.81 diameter) containing equipment for water-vapor collection and borehole closure monitoring, surrounded by smaller-diameter (up to 5.3 cm [2.11 diameter) satellite observation boreholes. Observation boreholes contain grouted-in temperature sensors, electrical resistivity tomography (ERT) sensors, and fiber optics; packer-isolated tracer release and sampling intervals; and acoustic emission (AE) piezoelectric sensors. A larger-diameter (12.2 cm [4.81) satellite borehole includes sorel and salt cement plugs, as part of an engineered barrier sealing test. The first two tests, to be implemented in parallel, are heated (target borehole wall temperature of 120 °C) and unheated, with similar arrays of observation borehole monitoring changes. Follow-on tests will be designed using information gathered from the first two tests, and may be conducted at other borehole wall temperatures, use multiple observation boreholes, and may include different measurement types and test designs. This 2020 update of the original 2018 project plan satisfies DOE-NE Spent Fuel and Waste Science and Technology (SFWST) milestone M3SF-205N010303034, as part of the SNL "Salt Disposal R&D" work package.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2014

Nuclear Thermal Rocket Element Environmental Simulator (NTREES) Upgrade Activities

Over the past year the Nuclear Thermal Rocket Element Environmental Simulator (NTREES) has been undergoing a significant upgrade beyond its initial configuration. The NTREES facility is designed to perform realistic non-nuclear testing of nuclear thermal rocket (NTR) fuel elements and fuel materials. Although the NTREES facility cannot mimic the neutron and gamma environment of an operating NTR, it can simulate the thermal hydraulic environment within an NTR fuel element to provide critical information on material performance and compatibility. The first phase of the upgrade activities which was completed in 2012 in part consisted of an extensive modification to the hydrogen system to permit computer controlled operations outside the building through the use of pneumatically operated variable position valves. This setup also allows the hydrogen flow rate to be increased to over 200 g/sec and reduced the operation complexity of the system. The second stage of modifications to NTREES which has just been completed expands the capabilities of the facility significantly. In particular, the previous 50 kW induction power supply has been replaced with a 1.2 MW unit which should allow more prototypical fuel element temperatures to be reached. The water cooling system was also upgraded to so as to be capable of removing 100% of the heat generated during. This new setup required that the NTREES vessel be raised onto a platform along with most of its associated gas and vent lines. In this arrangement, the induction heater and water systems are now located underneath the platform. In this new configuration, the 1.2 MW NTREES induction heater will be capable of testing fuel elements and fuel materials in flowing hydrogen at pressures up to 1000 psi at temperatures up to and beyond 3000 K and at near-prototypic reactor channel power densities. NTREES is also capable of testing potential fuel elements with a variety of propellants, including hydrogen with additives to inhibit corrosion of certain potential NTR fuel forms. Additional diagnostic upgrades included in the present NTREES set up include the addition of a gamma ray spectrometer located near the vent filter to detect uranium fuel particles exiting the fuel element in the propellant exhaust stream to provide additional information any material loss occurring during testing. Other aspects of the upgrade included reworking NTREES to reduce the operational complexity of the system despite the increased complexity of the induction heating system. To this end, many of the controls were consolidated on fewer panels. As part of this upgrade activity, the Safety Assessment (SA) and the Standard Operating Procedures (SOPs) for NTREES were extensively rewritten. The new 1.2 MW induction heater consists of three physical units consisting of a transformer, rectifier, and inverter. This multiunit arrangement facilitated increasing the flexibility of the induction heater by more easily allowing variable frequency operation. Frequency ranges between 20 and 60 kHz can be accommodated in the new induction heater allowing more representative power distributions to be generated within the test elements.

Emrich, William J., Jr.↗
NASA NTRSDate not supplied

Predicting Thermal Response in a Li-ion Cell on a UAV Fight Profile

As the energy storage devices continue to "pack" more energy in a small space, any damage, battery component failure, manufacturing defect, or electrically abusing the battery can lead to catastrophic thermal runaway events. A catastrophic thermal event in a cell leads to high temperature, in some instances spewing of battery materials due to gas development from side reactions initiated due to high internal temperatures. Also, a thermal runaway event can propagate from a single "failed" cell to the pack in a battery pack, leading to a more significant event. Mitigating a thermal runaway event is important in the commercial and automotive sectors. However, preventing such events in an electric aircraft (or air taxis) is paramount due to the lack of alternatives in the event of a failure. Battery prognostics algorithms allow the prediction of state-of-charge (SOC) and end-of-life (EOL) of a Li-ion battery in a UAV (unmanned air vehicle) [1]. For this presentation, we will extend this two-level battery predictive algorithm to predict SOC, EOL, and estimated maximum temperature during a simulated flight. The model is extended by integrating a lumped physics-driven thermal model for high current densities [2]. The parameters used to control SOC and EOL are maximum storable charge, time constant for Li-ion diffusivity in the carbon particles, and internal cell resistance. Cycling leads to an increase in the heat generated by an aged Li-ion cell with a LiyCoO2 (LCO) cathode and a LixC6 (MCMB) anode. The aging of a cell leads to increase in SEI layer thickness, the diffusion time for the lithium ions inside the electrodes, and the local reaction rates, in addition to the thermodynamic abuse caused by fixed cycling voltages controlled by a Battery Management System. As the battery ages, the cell resistance increases, while the onset temperature of the thermal runaway decreases (depends on the cell chemistry and cell abuse history). Any large deviation of the cell temperature from the estimated (expected) value can identify a faulty cell. Since SEI decomposition has the lowest onset temperature in the series of reactions leading to thermal runaway, the model considers the self-heating rate of the SEI decomposition as onset temperature (similar to Ref. [3]). The parameters in the Arrhenius equation for the SEI heating rate depend on the number of cycles, the cell's operating temperature, and the cell's abuse history [4,5]. Coupling the electrochemical, thermal, and aging model allow the prognostic algorithm to estimate a typical cell voltage and temperature as a function of age (cycling and calendar), whose departure from measured values from the BMS is used to identify a safety event. In addition, we will present the results from two simulated flight scenarios for a UAV: typical and extreme, since the power requirements vary significantly during take-off, landing, and changing altitudes, while the power requirements remain low during the cruise. For this presentation, the power requirement for a battery pack in a UAV is scaled to a single cell. This cell is cycled through a simulated profile, and the data is collected and used to predict a safety event.

Li-ion↗
NASA NTRS2010

Reusable Hot-Wire Cable Cutter

During the early development stage of balloon deployment systems for missions, nichrome wire cable cutters were often used in place of pyro-actuated cutters. Typically, a nichrome wire is wrapped around a bundle of polymer cables with a low melting point and connected to a relay-actuated electric circuit. The heat from the nichrome reduces the strength of the cable bundle, which quickly breaks under a mechanical load and can thus be used as a release mechanism for a deployment system. However, the use of hand-made heated nichrome wire for cutters is not very reliable. Often, the wrapped nichrome wire does not cut through the cable because it either pulls away from its power source or does not stay in contact with the cable being cut. Because nichrome is not readily soldered to copper wire, unreliable mechanical crimps are often made to connect the nichrome to an electric circuit. A self-contained device that is reusable and reliable was developed to sever cables for device release or deployment. The nichrome wire in this new device is housed within an enclosure to prevent it from being damaged by handling. The electric power leads are internally connected within the unit to the nichrome wire using a screw terminal connection. A bayonet plug, a quick and secure method of connecting the cutter to the power source, is used to connect the cutter to the power leads similar to those used in pyro-cutter devices. A small ceramic tube [0.25-in. wide 0.5-in. long (.6.4-mm wide 13-mm long)] houses a spiraled nichrome wire that is heated when a cable release action is required. The wire is formed into a spiral coil by wrapping it around a mandrel. It is then laid inside the ceramic tube so that it fits closely to the inner surface of the tube. The ceramic tube provides some thermal and electrical insulation so that most of the heat generated by the wire is directed toward the cable bundle in the center of the spiral. The ceramic tube is cemented into an aluminum block, which holds it in position. The leads of the nichrome wire are attached to screw terminals that connect them to power leads. A bayonet plug mounted at the bottom of the rectangular block connects the power leads to a relay circuit. A thin aluminum shell encloses the entire structure, leaving access points to attach to the bayonet plug and to feed a cable into the cylinder. The access holes for the deployment cable are a smaller diameter than the nichrome coil to prevent the cable from coming in direct contact with the nichrome when loaded. It uses the same general method of severing a cable with a heated wire as was used previously, but implements it in such a way that it is more reliable and less prone to failure. It creates a mechanism to create repeatability that was nonexistent in the previous method.

Pauken, Michael T.↗
DOE OSTI2026

Demonstration of gold nanorod systems for enhanced total efficiency: Experimental and numerical analysis

This study investigates the photothermal performance of gold nanorods engineered to exhibit longitudinal plasmon resonances at 695 nm, 780 nm, and 970 nm. The work combines synthesis, structural characterization, extinction measurements, numerical modeling, and controlled temperature experiments to quantify how nanorod geometry, resonance tuning, concentration, and chamber shape jointly influence heat generation. Transmission electron microscopy confirms that increasing nanorod aspect ratio systematically shifts the longitudinal plasmon peak toward the near-infrared region. Extinction measurements show strong agreement with theoretical predictions, validating the numerical model across two independent datasets. Three chamber geometries were tested under laser excitation at 640 nm, 808 nm, and 980 nm: an ascending stepped base, a flat base, and a descending stepped base. Without nanorods, the ascending geometry produced the highest efficiency due to enhanced natural convection. After introducing gold nanorods, all geometries exhibited substantial thermal enhancement, with total efficiencies exceeding 20%. The strongest improvement was obtained for nanorods resonant at 780 nm with a mass concentration of 4.6 mg/mL implemented on the descending stepped-base geometry. This performance resulted from the combined effect of spectral overlapping with the 808 nm laser, the highest nanorod concentration, and localized heat accumulation that intensified buoyancy-driven flow. The findings demonstrate that total efficiency is governed by a synergistic interplay between optical resonance, nanoparticle concentration, and macroscopic chamber design, revealing the system-level coupling between nanoscale plasmonic absorption and macroscale heat-transfer phenomena. The results provide a validated framework for tuning nanoscale plasmonic absorbers and optimizing thermal systems for applications requiring efficient light-to-heat conversion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Oscillatory and Collective Dynamics of Gold‐Nanoparticle‐Laden Droplets Driven by Photothermal‐Induced Thermocapillarity

Droplets have long intrigued researchers due to their ability to exhibit complex and fascinating behavior when subjected to external stimuli. Here, a coupled oscillatory behavior of gold-nanoparticle-surfactant-laden aqueous droplets is investigated at an oil-oil interface stimulated by light. This study shows that the interaction between light and the droplets gives rise to a range of oscillatory modes, including bouncing and clustering, where droplets exhibit collective movement. From experiment and numerical simulations, this study elucidates the underlying mechanism: upon laser irradiation, gold nanoparticles convert light into heat, generating asymmetric thermal gradients that drive upward thermocapillary flows and a hydrodynamic force from photothermal convection. These forces compete with gravity and buoyancy to induce droplet bouncing, while the resulting asymmetric flow fields bias neighboring droplets toward the illuminated droplet, leading to clustering. These findings not only expand the library of dynamic droplet behavior but also offer insights into the potential applications of light-driven systems in materials science, soft robotics, and microfluidics.

Marangoni effect↗
DOE OSTI2024

The Role of Lignin Molecular Weight on Activated Carbon Pore Structure

Over the past decade, the production of biofuels from lignocellulosic biomass has steadily increased to offset the use of fuels from petroleum. To make biofuels cost-competitive, however, it is necessary to add value to the “ligno-” components (up to 30% by mass) of the biomass. The properties of lignin, in terms of molecular weight (MW), chemical functionality, and mineral impurities often vary from biomass source and biorefinery process, resulting in a challenging precursor for product development. Activated carbon (AC) is a feasible target for the lignin-rich byproduct streams because it can be made from nearly any biomass, and it has a market capacity large enough to use much of the lignin generated from the biorefineries. However, it is not known how the variability in the lignin affects the key properties of AC, because, until now, they could not be well controlled. In this work, various fractions of ultraclean (<0.6% ash) lignin are created with refined MW distributions using Aqueous Lignin Purification using Hot Agents (ALPHA) and used as precursors for AC. AC is synthesized via zinc chloride activation and characterized for pore structure and adsorption capacity. We show that AC surface area and the adsorption capacity increase when using lignin with increasing MW, and, furthermore, that reducing the mineral content of lignin can significantly enhance the AC properties. The surface area of the AC from the highest MW lignin can reach ~1830 m2/g (absorption capacity). Furthermore, single step activation carbonization using zinc chloride allows for minimal carbon burn off (<30%), capturing most of the lignin carbon compared to traditional burn off methods in biorefineries for heat generation.

Biochemistry & Molecular Biology↗
DOE OSTI2025

From Structure to Function: Zn/Mn-Modified Maghemite as an Advanced Nanoplatform for Magnetic Hyperthermia and Radionuclide Therapy

The development of nanoplatforms capable of efficient heat generation and stable radionuclide delivery is essential for effective bimodal cancer therapy. Here, in this study, binary (Fe–M) and ternary (Fe–M–M′) metal oxide nanoparticles were synthesized via a polyol method optimized to produce flower-like γ-Fe 2 O 3 (maghemite) structures, with M and M′ representing Zn and/or Mn. Comprehensive structural and magnetic characterization was conducted to explain the relationship between composition, defect structure, and hyperthermic performance. The analyses revealed that cation substitution induced an Fe-site vacancy, primarily at octahedral positions, leading to local structural distortions, as confirmed by powder X-ray diffraction and pair distribution function analysis. The optimized composition, with Zn/Mn/Fe = 0.040:0.182:1, exhibited the highest concentration of vacancies and structural disorder. These vacancies altered the bonding environment, enhancing magnetic interactions at tetrahedral sites while weakening those at the octahedral positions. The resulting multicore nanoflowers (20–63 nm; core size 13–18 nm) displayed strong heating performance, with intrinsic loss power ranging from 0.34 to 5.77 nHm 2 kg –1 . The optimized sample achieved a temperature increase of 30 °C within 2 min and a specific absorption rate of 369 W g –1 . This composition was further coated with citrate (CA) and successfully radiolabeled with 177 Lu, achieving a radiolabeling yield of 92.7% and excellent stability, thus forming a robust nanoplatform for combined magnetic hyperthermia and radionuclide therapy. Biological evaluation of the optimized S5 composition revealed selective cytotoxicity toward HeLa and LS174 cells, while toxicity was significantly lower to A549, A375, and normal MRC-5 cells. Citrate coating of S5 nanoparticles (S5@CA) drastically reduced their cytotoxicity across all tested cell lines (IC 50 > 200 μg mL –1 ), confirming their enhanced biocompatibility for therapeutic applications. In HeLa cells subjected to magnetic hyperthermia, the viability decreased to approximately 84% after 30 min and 61% after 60 min of treatment, demonstrating the sustained hyperthermic effect at a controlled working temperature of 48 °C. These results underscore the effectiveness of cation substitution and vacancy engineering in tailoring the functional properties of maghemite-based nanomaterials for advanced multimodal cancer therapies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unification of nonequilibrium molecular dynamics and the mode-resolved phonon Boltzmann equation for thermal transport simulations

Nano-size confinement induces many intriguing non-Fourier heat conduction phenomena, such as nonlinear temperature gradients, temperature jumps near the contacts, and size-dependent thermal conductivity. Over the past decades, these effects have been studied and interpreted by nonequilibrium molecular dynamics (NEMD) and phonon Boltzmann transport equation (BTE) simulations separately, but no theory that unifies these two methods has ever been established. In this work, we unify these methods using a quantitative mode-level comparison and demonstrate that they are equivalent for various thermostats. We show that different thermostats result in different non-Fourier thermal transport characteristics due to the different mode-level phonon excitations inside the thermostats, which explains the different size-dependent thermal conductivities calculated using different reservoirs, even though they give the same bulk thermal conductivity. Specifically, the Langevin thermostat behaves like a thermalizing boundary in phonon BTE and provides mode-level thermal-equilibrium phonon outlets, while the Nose-Hoover chain thermostat and velocity rescaling method behave like biased reservoirs, which provide a spatially uniform heat generation and mode-level nonequilibrium phonon outlets. These findings explain why different experimental measurement methods can yield different size-dependent thermal conductivity. They also indicate that the thermal conductivity of materials can be tuned for various applications by specifically designing thermostats. Finally, the unification of NEMD and phonon BTE will largely facilitate the study of thermal transport in complex systems in the future by, e.g., replacing computationally unaffordable first-principles NEMD simulations with computationally less expensive spectral BTE simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2015

Experimental Studies of Spray Deposition on a Flat Surface in a Vacuum Environment

Cooling of spacecraft components in the space environment is an on-going research effort. The electronics used in modern spacecraft are always changing and the heat flux is increasing. New, one-of-a-kind missions require new approaches to thermal control. In this research, under vacuum conditions, a pulsed water spray impinged on a small disc, while a high speed data acquisition system recorded the temperature histories of this copper disc. The water droplets froze quickly and accumulated on the disc as the spray continued. After the spray stopped, the frozen water that remained on the disc then sublimated into the vacuum environment and cooled the disc. This paper examines two important aspects of this process: 1) the difference in spray start up and shutdown in a vacuum environment versus in a standard atmospheric pressure environment, and 2) the water utilization efficiency in a vacuum environment due to the effects of drop trajectories and drop bouncing on the surface. Both phenomena play a role during spray cooling in a vacuum. This knowledge should help spacecraft designers plan for spray cooling as an option to cool spacecraft electronics, human metabolic generated heat, and heat from other sources.

Spray Cooling↗
DOE OSTI2022

Life cycle assessment of utilizing freshly cut urban wood: A case study

Large amounts of urban wood resources are generated through tree removals in urban areas. Therefore, there is a growing interest to improve the environmental performance of the urban wood supply chain by quantifying the environmental impacts of creating high-value products from urban tree removals to enhance its utilization. By surveying existing urban wood utilization operations for primary data in two major cities: Baltimore, Maryland, and Milwaukee, Wisconsin, a new life cycle inventory (LCI) dataset per m 3 of dry urban hardwood lumber and live edge slabs was created. Incorporating the new LCI data into life cycle assessment method, the total global warming (GW) impact of converting urban trees to kiln-dried lumber was estimated to be 122 kg CO 2 eq and 336 kg CO 2 eq per m 3 of lumber produced for Baltimore and Milwaukee, respectively. In both cases, the total environmental impact of the product was dominated by the conversion of urban trees to kiln dried lumber at the sawmill processing stage. Using scenario analysis for the source of heat generation used in kiln (force) drying wood, substituting wood fuel from coproducts for natural gas in a boiler for Milwaukee resulted in a substantial reduction in fossil-derived GW impact. Urban and traditional hardwood lumber production follow similar GW impact trajectories over their life-cycle stages with the lumber processing stage having the highest environmental impacts for both. Finally, increasing the overall lumber yield and decreasing kiln (force) drying would substantially improve the environmental performance of urban hardwood lumber and help make it comparable to traditional lumber.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Understanding the Nature of Capacity Decay and Interface Properties in Li//LiNi 0.5 Mn 1.5 O 4 Cells by Cycling Aging and Titration Techniques

The spinel structure LiNi 0.5 Mn 1.5 O 4 (LNMO) is a propitious cathode material for next-generation lithium-ion batteries for fast charge–discharge applications, but its capacity decay mechanism and rate-limiting process are not yet well understood. In this work, electrochemical impedance spectroscopy (EIS) with galvanostatic intermittent titration (GITT) and cycling aging techniques were employed to investigate the nature of capacity decay in disordered-phase LNMO. Different resistive components were separated after every 10 cycles. Cell overvoltages (ΔVs) due to ohmic conduction, charge transfer (CT), and concentration polarization (CP) were individually determined. Results revealed that the cell exhibited a higher ΔV at a higher discharged state. However, the ΔV value for CP was higher at a higher state of charge (SOC), and the overall LNMO/electrolyte interface played a major role in the rate-determining step. Battery life was estimated based on the results. Battery calendar life was found to be more vulnerable than cycle life. Furthermore, results also indicated that the working SOC range could be optimized based on the resistance analysis by avoiding those SOCs that have the most detrimental impact (e.g., heat generation and fire hazard).

25 ENERGY STORAGE↗
NASA NTRS2026

A Modular Conjugate Heat Transfer Optimization Framework for Thermal Management of Electric Aircraft

Conjugate heat transfer (CHT) analysis and optimization is a powerful method for improving thermal management, as it simultaneously resolves the temperature distribution in both fluid and solid domains. This paper presents a modular, discrete adjoint-based CHT optimization capability integrated within the OpenMDAO/MPhys framework. A unique feature of the proposed framework is its flexibility to extend to multidisciplinary optimization, including aero-structural-thermal applications. The fluid domain is modeled using a finite-volume Computational Fluid Dynamics (CFD) solver, and the solid domain with a conduction heat transfer solver. A mixed Neumann-Dirichlet boundary condition is developed to enable full submersion of the solid geometry within the fluid domain, while ensuring consistent temperature and heat flux coupling at the CHT interface. Gradient-based optimization is performed; the gradients are efficiently computed using the discrete adjoint solvers implemented in DAFoam. To demonstrate the method, this paper considers two cases related to electric aircraft thermal management: a U-bend heat exchanger and an actively cooled battery pack. The U-bend case aims to minimize pressure loss while maximizing heat flux by changing the pipe geometry. The optimized design reduces pressure loss by 52.7% and increases total heat flux by 2.3%. In the battery pack case, a 3-by-3 cell configuration is cooled by ambient airflow, with constant heat generation prescribed in the cells. The battery casing shape serves as the design variable, and the objective function is a weighted sum of pressure loss and pack weight, subject to a maximum temperature constraint. The optimized design achieves a 44.6% reduction in pressure loss and a 1.5% reduction in weight, while satisfying the thermal constraint. To ensure the reliability of the optimized designs, this study validates coarse-mesh, steady-state predictions against fine-mesh unsteady simulations, demonstrating consistency within acceptable errors. This work demonstrates the potential of the developed framework to enable rapid, high-fidelity design of thermal management systems for electric aircraft.

heat transfer↗
DOE OSTI2020

Overview of Salt Repository Research and Development for Spent Nuclear Fuel and High-level Nuclear Waste in the United States - 20307

This paper summarizes the current US Department of Energy Office of Nuclear Energy's (DOE-NE) work towards developing and executing a research and development program that addresses both scientific and technical issues related to long-term disposal of spent nuclear fuel (SNF) and high-level waste (HLW) in a hypothetical bedded salt based geological repository. A primary goal of the program is to create a generic Geologic Disposal Safety Assessment (GDSA) Framework that can be used to help guide decisions on siting a possible future bedded salt repository. The generic GDSA work includes analysis of the impacts of heat generation caused by decay of short-lived radionuclides. We report progress in four primary areas. First, we discuss the development and recent modifications of a research and development road-map. Second, we briefly describe an experimental approach to better understand thermal processes in salt. Third, we highlight collaborations with the international research community that leverage salt-based repository science around the world. Finally, we discuss how our findings are being used to aid in the development of a generic safety assessment for a bedded salt repository containing SNF and HLW. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Modeling shock-induced void collapse in single-crystal Ta systems at the mesoscales

Understanding the role of microstructural heterogeneities on the shock wave propagation and defect evolution behavior is essential to predicting the dynamic response of metals. Heterogeneities, such as voids, provide challenges to understanding the wave propagation behavior as the shock-void interaction can collapse the void and result in large plastic strains and significant heating (hot spot formation) in the metal. Accurate modeling of this phenomenon requires predicting the void collapse mechanisms and the related heat generation and dissipation mechanisms (hotspot formation) that determine the microstructure evolution. While molecular dynamics (MD) simulations can model the void collapse behavior, the time/length scale capabilities pose a challenge to connect with continuum models or the experimental scales. Here, this study presents the capability of the newly developed quasi-coarse-grained dynamics (QCGD) method that extends the MD simulations to larger system sizes and longer times to model this phenomenon. This study uses QCGD simulations to investigate the mechanisms of shock wave interactions with pre-existing voids in single-crystal Ta microstructures for variations in shock pressures, void size, and loading orientations. For a given orientation, the plasticity contributions and rates of void collapse are observed to vary with shock pressures and void size. The larger void sizes and higher pressures result in increased temperatures (hot spots) and faster void collapse rates and unravel the variations in the plasticity contributions. In addition, QCGD simulations investigate the post-collapse microstructure evolution as a release wave travels through the hot spot region. The simulations reveal that the reduction in temperatures due to heat dissipation initiates the dynamic recrystallization behavior in the hotspot regions.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Modeling of Thermal Performance of Multiphase Nuclear Fuel Cell Under Variable Gravity Conditions

A unique numerical method has been developed to model the dynamic processes of bulk evaporation and condensation processes, associated with internal heat generation and natural convection under different gravity levels. The internal energy formulation, for the bulk liquid-vapor phase change problems in an encapsulated container, was employed. The equations, governing the conservation of mass, momentum and energy for both phases involved in phase change, were solved. The thermal performance of a multiphase uranium tetra-fluoride fuel element under zero gravity, micro-gravity and normal gravity conditions has been investigated. The modeling yielded results including the evolution of the bulk liquid-vapor phase change process, the evolution of the liquid-vapor interface, the formation and development of the liquid film covering the side wall surface, the temperature distribution and the convection flow field in the fuel element. The strong dependence of the thermal performance of such multiphase nuclear fuel cell on the gravity condition has been revealed. Under all three gravity conditions, 0-g, 10(exp -3)-g, and 1-g, the liquid film is formed and covers the entire side wall. The liquid film covering the side wall is more isothermalized at the wall surface, which can prevent the side wall from being over-heated. As the gravity increases, the liquid film is thinner, the temperature gradient is larger across the liquid film and smaller across the vapor phase. This investigation provides valuable information about the thermal performance of multi-phase nuclear fuel element for the potential space and ground applications.

Ding, Z.↗
DOE OSTI2021

Opportunities for Solar Industrial Process Heat in the United States

This presentation summarizes the first national analysis of opportunities for solar technologies to provide industrial process heat (IPH) in the United States. The industrial sector is a major end-user of energy and IPH constitutes a majority of industrial fuel energy. New disaggregations of IPH demands are made at the temporal, geographic, and operational levels. Solar heat generation by seven solar thermal technologies and PV-connected electrotechnologies are modeled using county solar resources and land availability and matched to relevant IPH demands. Parabolic trough collectors (PTC), when combined with thermal energy storage (TES), not only have the largest opportunity in terms of distribution over geography and time, but also in terms of applicable IPH demands. PTC with TES represents the displacement of nearly 2,500 trillion Btus of combustion fuels, which corresponds to 137 million metric tons of CO2, or about 15% of all industrial combustion CO2 emissions. TES, along with site-level analysis, are identified as areas of further analysis.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2021

Al 2 O 3 /TiO 2 coated separators: Roll-to-roll processing and implications for improved battery safety and performance

Heat generation is one of the major concerns with lithium-ion batteries (LIB) while charging them at higher currents, which could inadvertently impact the rate performance and reduce the safety of the cell. Polymer separator is one of the least thermal conductive components of a LIB. In addition, commercial separators for LIB are made from polyolefin membranes that tend to shrink and curl at higher temperatures due to their lower melting temperature (~130 °C). Developing separators with improved thermal stability and higher electrolyte uptake is essential for enhancing the safety as well as the performance of the LIB. In this work, a thin layer of ceramic coatings (Al 2 O 3 and TiO 2 ) is applied on propylene (PP) membrane to improve the thermal stability and electrolyte affinity without compromising the rate performance. A slurry with 100% Al 2 O 3 coated on the polypropylene separator exhibited the best improvement in thermal stability ( shrinkage of 0.6% vs 6.0% for uncoated membrane) and excellent rate performance with 92% capacity retention at 2C. The Al 2 O 3 coated separator demonstrated excellent electrolyte wettability compared to the uncoated membrane. The cross-plane thermal conductivity of the ceramic coated separators is analyzed to understand their heat transfer behavior. The thermal conductivity of the separator is improved by ~3.2 times with the Al 2 O 3 coating.

25 ENERGY STORAGE↗