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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
DOE OSTI2025

Thermo-Mechanical Phase-Field Modeling of Fracture in High-Burnup UO2 Fuels Under Transient Conditions

This study presents a novel multiphysics phase-field fracture model to analyze high-burnup uranium dioxide (UO2) fuel behavior under transient reactor conditions. Fracture is treated as a stochastic phase transition, which inherently accounts for the random microstructural effects that lead to variations in the value of fracture strength. Moreover, the model takes into consideration the effects of temperature and burnup on thermal conductivity. Therefore, the model is able to predict crack initiation, propagation, and complex morphologies in response to thermal gradients and stress distributions. Several simulations were conducted to investigate the effects of operational and transient conditions on fracture behavior and the resulting cracking patterns. High-burnup fuels exhibit reduced thermal conductivity, elevating temperature gradients and resulting in extensive radial and circumferential cracks. Transient heating rates and temperatures significantly affect fracture patterns, with higher heating rates generating steeper gradients and more irregular crack trajectories. This approach provides critical insights into fuel integrity during accident scenarios and supports the safety evaluation of extended burnup limits.

Chemistry↗
DOE OSTI2022

Numerical investigation of thermomechanical response of multiscale porous Ultra-High Temperature Ceramics

Recent advances in Ultra-High Temperature Ceramics (UHTC) manufacturing have permitted the development of multiscale porous UHTC microstructures. Within the target application of hypersonic vehicles, dense UHTCs are suitable for thermal protection on leading edges, whereas porous UHTCs may find a role in providing thermally insulated interfaces for temperature-sensitive interior components. Designing vehicles incorporating porous UHTCs requires a characterization of their thermomechanical properties across the full range of expected operating temperatures spanning –20 °C–2500 °C. This research represents a preliminary study in performing this characterization. Several numerical experiments are performed using a coupled thermomechanical implementation of the Material Point Method to determine the temperature dependence of effective material properties both with and without damage. Furthermore, complex time-dependent boundary conditions derived from known hypersonic flight profiles are simulated in order to probe the various couplings between deformation, damage and heat transfer. It is shown that the model reveals the importance of micro-buckling in determining effective material stiffness and thermal conductivity.

36 MATERIALS SCIENCE↗
NASA NTRS2009

A Model of Thermal Conductivity for Planetary Soils: Theory for Cemented Soils - 2

A numerical model of heat conduction through particulate media made of spherical grains cemented by various bonding agents is presented. The pore-filling gas conductivity, volume fraction, and thermal conductivity of the cementing phase are tunable parameters. Cement fractions <0.001-0.01% in volume have small effects on the soil bulk thermal conductivity. A significant conductivity increase (factor 3-8) is observed for bond fractions of 0.01 to 1% in volume. In the 1 to 15% bond fraction domain, the conductivity increases continuously but less intensely (25-100% conductivity increase compared to a 1% bond system). Beyond 15% of cements, the conductivity increases vigorously and the bulk conductivity rapidly approaches that of bedrock. The composition of the cements (i.e. conductivity) has little influence on the bulk thermal inertia of the soil, especially if the volume of bond <10%. These results indicate that temperature measurements are sufficient to detect cemented soils and quantify the amount of cementing phase, but the mineralogical nature of the bonds and the typical grain size are unlikely to be determined from orbit. On Mars, a widespread surface unit characterized by a medium albedo (0.19-0.26) and medium/high thermal inertia (200-600 J s(0.5)/sq m/K) has long been hypothesized to be associated with a duricrust. The fraction of cement required to fit the thermal data is less than approx.1-5% by volume. This small amount of material is consistent with orbital observations, confirming that soil cementation is an important factor controlling the thermal inertia of the Martian surface

Piqueux, S.↗
DOE OSTI2024

The Electron Thermal Conductivity of Pu and Zr Substituted Gamma-Uranium

Uranium alloys are attractive recycled nuclear fuels because of their high thermal conductivity (k) and fissile density; however, the effects of alloying elements on k remain unclear. Here, the electron thermal conductivity (k_e) of U-Pu-Zr compositions are calculated using density functional theory. The electronic structure is evaluated to understand the effects of plutonium (Pu) and zirconium (Zr) substitution on the k_e of ?-U. Alloys of up to 37.5 at. % Pu and 37.5 at. % Zr are examined. Two methods are applied to calculate k_e; we find that the accuracy of each method depends on the electronic and mass similarities between the solute and solvent atoms. Specifically, when the solute atom is similar in electronic structure and mass, the method that applies the electron relaxation time of ?-U is best, while if the elements are dissimilar, a mixed method that mixes several parameters associated with k_e from each element in the alloy is best. The introduction of all alloying elements decreases k_e; however, in binary compounds, Pu and Zr have different effects. Pu generally flattens the electronic bands but compensates for this deleterious effect by increasing electron density near the Fermi level. Zr flattens the electronic bands more severely without adding electron density near the Fermi level. Therefore, Zr decreases the k_e more than Pu in binary compounds. In ternary compounds, the difference between Pu and Zr is minimal due to the phononic change from the large mass change of Zr substitution, even at 12.5 at. %. Thus, we predict that higher loadings of Pu, and potentially other actinides, can be added to U-Pu-Zr compositions for faster recycling of spent fuel with without sacrificing k. We also note that these k_e calculation methods can be applied to non-fuel alloys that require k_e predictions, such as cladding, heat exchanger, and structural materials.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Multiphase dispersions by crystallization processing

The interaction between second-phase particles and crystal-liquid interfaces in the solidification process has been studied in ground-based experiments and experiments under microgravity conditions. An analysis of these data with a view toward the solidification processing of composite materials reveals a pronounced difference between high entropy of fusion and low entropy of fusion matrix materials, as well as a pronounced effect of differences in the thermal conductivity of particles and liquid on the behavior of materials. Effects of liquid viscosity surface topography of the particles, particle chemistry, and overall particle shape examined.

Uhlmann, D. R.↗
NASA NTRS2003

Stable, Thermally Conductive Fillers for Bolted Joints

A commercial structural epoxy [Super Koropon (or equivalent)] has been found to be a suitable filler material for bolted joints that are required to have large thermal conductances. The contact area of such a joint can be less than 1 percent of the apparent joint area, the exact value depending on the roughnesses of the mating surfaces. By occupying the valleys between contact peaks, the filler widens the effective cross section for thermal conduction. In comparison with prior thermal joint-filler materials, the present epoxy offers advantages of stability, ease of application, and -- as a byproduct of its stability -- lasting protection against corrosion. Moreover, unlike silicone greases that have been used previously, this epoxy does not migrate to contaminate adjacent surfaces. Because this epoxy in its uncured state wets metal joint surfaces and has low viscosity, it readily flows to fill the gaps between the mating surfaces: these characteristics affect the overall thermal conductance of the joint more than does the bulk thermal conductivity of the epoxy, which is not exceptional. The thermal conductances of metal-to-metal joints containing this epoxy were found to range between 5 and 8 times those of unfilled joints.

LeVesque, Raymond J., II↗
NASA NTRS2009

Composite Silica Aerogels Opacified with Titania

A further improvement has been made to reduce the high-temperature thermal conductivities of the aerogel-matrix composite materials described in Improved Silica Aerogel Composite Materials (NPO-44287), NASA Tech Briefs, Vol. 32, No. 9 (September 2008), page 50. Because the contribution of infrared radiation to heat transfer increases sharply with temperature, the effective high-temperature thermal conductivity of a thermal-insulation material can be reduced by opacifying the material to reduce the radiative contribution. Therefore, the essence of the present improvement is to add an opacifying constituent material (specifically, TiO2 powder) to the aerogel-matrix composites.

Paik, Jon-Ah↗
DOE OSTI2020

Solar-thermal membrane for dewatering aqueous organic-acid solutions

A thermally conductive porous membrane has been developed to directly absorb solar energy and conduct heat that can effectively evaporate liquid water at the interface between the membrane and the bulk feed solution. Here, black, porous, thermally conductive graphite foam support is employed as an effective photothermal-energy absorber and heat conductor that heats up an aqueous feed solution to produce vapor. Graphite nanoparticle-slurry coating is applied onto the foam surface to reduce the pore size and generate a microporous membrane. Then, application of a dense graphene oxide membrane coating as an active separation layer on the microporous nanoparticle surface of internal foam channels allows vapor permeation of volatile molecules. Acetic acid/water solution was studied as a model feed system to experimentally demonstrate effective separation. This model vapor permeation system demonstrates excellent acetic acid separation, with a separation factor of 8.3, under simulated 0.7 sun irradiation. The membrane hydrophobicity and nanostructure, including pore size and surface chemistry, played a significant role in enabling high permselectivity of water vapor over acetic acid molecules, as well as liquid solution. Pore size reduction from open pores to a nonporous dense layer in the membrane enables effective separation of water vapor from the organic vapor, while it reduces the permeation flux. Also, the hydrophilicity of the membrane surface shows ~3 times higher permeation flux with higher permselectivity, compared with the hydrophobic membrane surface. This work introduces a process of directly using renewable energy instead of conventional heating to drive selective separation of water from organic acids.

14 SOLAR ENERGY↗
DOE OSTI2022

Processing Compressed Expanded Natural Graphite for Phase Change Material Composites

Phase change materials (PCMs) are used in various thermal energy storage applications but are limited by their low thermal conductivity. One method to increase conductivity involves impregnating organic PCMs into highly porous conductive matrix materials. Of these materials, compressed expanded natural graphite (CENG) matrices have received the most attention. Despite this attention, the effect that CENG processing has on PCM saturation and overall matrix thermal conductivity has not been fully investigated. Therefore, the effect of the heat treatment process used to expand intercalated graphite flakes is evaluated here. Higher heat treatment temperatures yielded higher saturation rates and overall saturation at similar matrix porosities. For example, increasing temperature from 300 °C to 700 °C resulted in approximately 60%-70% increase in pore saturation after 100 minutes of soaking. The exposure time to heat treatment had less of an effect on PCM saturation. The exposure time had negligible effect above 30 min and above 500 °C heating temperatures. However, because the expanded graphite was found to oxidize around 700 °C, the use of longer exposure time in manufacturing applications can be beneficial if a shortened impregnation time is needed. Heat treatment conditions did not impact thermal conductivity. The composite latent heat of fusion was also reduced approximately proportionally to the PCM mass fraction. A local maximum in axial thermal conductivity was observed at around 83% porosity, which is similar to previous studies. The observed conductivity at this maximum was a factor of 81 times greater than the conductivity of the PCM.

36 MATERIALS SCIENCE↗
NASA NTRS1989

A numerical analysis of the effects of conjugate heat transfer, vapor compressibility, and viscous dissipation in heat pipes

The effects of conjugate heat transfer, vapor compressibility, and viscous dissipation in heat pipes are discussed. The accuracy of the partially parabolic versus the elliptic presentation of the governing equations is also examined. The results show that the axial wall conduction has a tendency to make the temperature distribution more uniform for heat pipes with large ratios of pipe wall to effective liquid-wick thermal conductivity. The compressible and incompressible models show very close agreement for the total pressure drop, while the local pressure variations along the heat pipe are quite different for these two models when the radial Reynolds number at the interface is high.

Faghri, Amir↗
NASA NTRSDate not supplied

Passive PCB Mounted Thermal Switch

A printed circuit board (PCB) generates heat during operation. In a vacuum this heat can only be rejected by conduction and radiation. In order to reject heat effectively the PCB needs to be thermally conductive to the electronics enclosure. However, when the enclosure temperature gets too low, too much heat is rejected from the PCB and it can fail. This thermal switch has been designed to allow for heat rejection when the PCB is sufficiently warm but then greatly reduce heat rejection when the temperature gets low enough.

Jarret Bone↗
NASA NTRS2000

Convective Melting of Particles in Flow Under Microgravity Conditions

Study of melting of dispersed or packed solid particles in a fluid under gravity and microgravity conditions provides benchmark information for many engineering applications such as material processing, environmental assessment and protection and space fire protection. During such processes, packed or dispersed solid particles are interacting with fluid flow at above-melting temperatures. By unmasking the buoyancy effects in coupled flow, phase change and heat transport phenomena, a better understanding of melting rate in non-thermal equilibrium, convective conditions can be studied. A series of flight experiments were conducted onboard the NASA KC-135 Microgravity Research Airplane. The Particle Melting in Plow (PMF) module was designed to allow flow through the initially packed ice particles at controlled temperature and velocity. To achieve this, a close-loop flow system was designed. Video images were taken to record the visualization of the melting process, from which a time variation of packed particle thickness distribution at different times can be obtained by the image analysis method. The fluid temperature distribution within the melting zone is measured by thermocouples. An infrared camera was mounted from the top of the test section to record the ice-water thermal images at a given location. The results from thermal images yield local temperature variation between melting solid and liquid and local Stephan number. Typical results for a number of cases are presented. The mathematical model, describing mass, energy, and momentum balance equations for the liquid and solid phases, is presented. It is found that melting rate is influenced mainly by the ratio of Reynolds number (based on the initial particle diameter) to the Froud number, and Stephan number. At the absence of gravity, Froud number approaches zero, Reynolds number and Stephan number become dominant factors governing the melting rate. The numerically determined results are compared with the experimental ones. It is found that the discrepancy between the predicted and measured melting rate is largely due to the inaccuracy in the constitutive equations for effective thermal physical properties, such as effective thermal conductivity and diffusivity, and transport properties, such as particle interaction coefficient, and local heat transfer coefficient of particles.

Stewart, C.↗
DOE OSTI2022

Interdiffusion and Formation of Intermetallic Compounds in High-Temperature Power Electronics Substrate Joints Fabricated by Transient Liquid Phase Bonding

Power electronics packages typically comprise a dielectric substrate bonded to a metal layer and attached to heat sinks using a low-thermal-conductivity solder. These multiple layers increase the effective thermal resistance of the package and are responsible for package failures under cyclic thermal loads. Bonding the aluminum nitride dielectric layer (AlN) directly to a low coefficient of thermal expansion (CTE) aluminum silicon carbide (AlSiC) cold plate using copper-aluminum (Cu-Al) transient liquid phase (TLP) bonding has been shown to improve the mechanical reliability of the power electronic packages while making the package more compact by bringing the cooling solutions closer to the devices. This study aims to characterize the Cu-Al bonds formed during the TLP bonding of AlSiC with three different power electronics substrates: pure aluminum nitride (AlN), aluminum (DBA), and copper (DBC). The material compositions and microstructures of the bonds were analyzed using scanning electron microscopy (SEM), x-ray spectroscopy (EDS), confocal scanning acoustic microscopy (C-SAM), and x-ray diffraction (XRD). ..alpha..-Al solid compound was identified as the dominant phase in AlN-AlSiC and Al-AlSiC, with a notable presence of SiC particles. In contrast, three intermetallic phases - ..theta..-CuAl2, ..eta..-CuAl, and ..gamma..'- Cu9Al4 - were observed in the Cu-AlSiC bond. A computational solid-state diffusion model was developed to predict the intermetallic compounds (IMCs) formed during Cu-Al TLP bonding in each system, which supported the observation that an initial Cu volume fraction of 20 % in the material layers produced a final bond composition of >95 % Al with minimal IMC growth. However, increased Cu concentrations produced higher concentration gradients, leading to increased growth of IMCs, Kirkendall voids, and interstitial cracks.

DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Ab Initio-Based Bond Order Potential for Arsenene Polymorphs Developed via Hierarchical Reinforcement Learning

Arsenene, a less-explored two-dimensional material, holds the potential for applications in wearable electronics, memory devices, and quantum systems. This study introduces a bond-order potential model with Tersoff formalism, the ML-Tersoff, which leverages multireward hierarchical reinforcement learning (RL), trained on an ab initio data set. This data set covers a spectrum of properties for arsenene polymorphs, enhancing our understanding of its mechanical and thermal behaviors without the complexities of traditional models requiring multiple parameter sets. Our RL strategy utilizes decision trees coupled with a hierarchical reward strategy to accelerate convergence in high-dimensional continuous search spaces. Unlike the Stillinger-Weber approach, which demands separate formalisms for buckled and puckered forms, the ML-Tersoff model concurrently captures multiple properties of the two polymorphs by effectively representing the local environment, thereby avoiding the need for different atomic types. Here, we apply the ML model to understand the mechanical and thermal properties of the arsenene polymorphs and nanostructures. We observe an inverse relationship between the critical strain and temperature in arsenene. Thermal conductivity calculations in nanosheets show good agreement with ab initio data, reflecting a decrease in thermal conductivity attributable to increased anharmonic effects at higher temperatures. We also apply the model to predict the thermal behavior of arsenene nanotubes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Advanced Liquid-Cooling Garment Using Highly Thermally Conductive Sheets

This design of the liquid-cooling garment for NASA spacesuits allows the suit to remove metabolic heat from the human body more effectively, thereby increasing comfort and performance while reducing system mass. The garment is also more flexible, with fewer restrictions on body motion, and more effectively transfers thermal energy from the crewmember s body to the external cooling unit. This improves the garment s performance in terms of the maximum environment temperature in which it can keep a crewmember comfortable. The garment uses flexible, highly thermally conductive sheet material (such as graphite), coupled with cooling water lines of improved thermal conductivity to transfer the thermal energy from the body to the liquid cooling lines more effectively. The conductive sheets can be layered differently, depending upon the heat loads, in order to provide flexibility, exceptional in-plane heat transfer, and good through-plane heat transfer. A metal foil, most likely aluminum, can be put between the graphite sheets and the external heat source/sink in order to both maximize through-plane heat transfer at the contact points, and to serve as a protection to the highly conductive sheets. Use of a wicking layer draws excess sweat away from the crewmember s skin and the use of an outer elastic fabric ensures good thermal contact of the highly conductive underlayers with the skin. This allows the current state of the art to be improved by having cooling lines that can be more widely spaced to improve suit flexibility and to reduce weight. Also, cooling liquid does not have to be as cold to achieve the same level of cooling. Specific areas on the human body can easily be targeted for greater or lesser cooling to match human physiology, a warmer external environment can be tolerated, and spatial uniformity of the cooling garment can be improved to reduce vasoconstriction limits. Elements of this innovation can be applied to other embodiments to provide effective heat transfer over a flexible and surface-conformable fashion without the limitation of fluid freeze points.

Ruemmele, Warren P.↗
DOE OSTI2022

Thermal Hall effect in the Kitaev-Heisenberg system with spin-phonon coupling

Motivated by the giant phonon anomalies in α-RuCl3 reported by H. Li et al. [Nat. Commun. 12, 3513 (2021)], we investigate the thermal Hall effect in a Kitaev-Heisenberg system in the presence of the coupling between spins and phonons arising from chlorine atoms' vibration. We observe that the coupling modifies the relative stability between different magnetic states under a magnetic field, especially stabilizing a canted zigzag antiferromagnetic state. Remarkably, the spin-phonon interaction has distinct effects on the thermal Hall conductivity in different magnetically ordered states. For a canted zigzag state, which is relevant to α-RuCl3, the spin-phonon interaction enhances the magnon excitation gap induced by a magnetic field and suppresses the thermal Hall conductivity at low temperatures. For the Kitaev spin liquid state, we find that the spin-phonon interaction reduces the excitation gap of Majorana fermions and destabilizes the quantized thermal Hall effect. Our results demonstrate a crucial role of phonon degrees of freedom in the thermal Hall effect in Kitaev materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Vibrational properties and thermal transport in quaternary chalcogenides: The case of Te-based compositions

Vibrational thermal properties of CuZn 2 InTe 4 , AgZn 2 InTe 4 , and Cu 2 CdSnTe 4 , derived from binary II-VI zinc-blendes, are reported based on first-principles calculations. While the chalcogenide atoms in these materials have the same lattice positions, the cation atom arrangements vary, resulting in different crystal symmetries and subsequent properties. The compositional differences have important effects on the vibrational thermal characteristics of the studied materials, which demonstrate that low-frequency optical phonons hybridize with acoustic phonons and lead to enhanced phonon-phonon scattering and low lattice thermal conductivities. The phonon density of states, mode Grüneisen parameters, and phonon scattering rates are also calculated, enabling deeper insight into the microscopic thermal conduction processes in these materials. Compositional variations drive differences among the three materials considered here; nonetheless, their structural similarities and generally low thermal conductivities (0.5–4 W/m K at room temperature) suggest that other similar II-VI zinc-blende derived materials will also exhibit similarly low values, as also corroborated by experimental data. Finally, this, combined with the versatility in designing a variety of motifs on the overall structure, makes quaternary chalcogenides interesting for thermal management and energy conversion applications that require low thermal conductivity.

36 MATERIALS SCIENCE↗