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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Fourier-like Thermal Relaxation of Nanoscale Explosive Hot Spots

Hot spots are local regions of high temperature that are widely considered to govern explosive initiation. Hot spot dynamics rests on a delicate balance between heat generation due to chemical reactions and heat loss through thermal conduction, making accurate determinations of the conductivity under extreme conditions a key component of predictive explosive models. We develop here an approach to directly determine the thermal transport properties of explosive hot spots with realistic initial structures through a combination of molecular dynamics (MD) and diffusive heat equation (HEq) modeling. Effective thermal conductivity values are determined by fitting HEq models to MD predictions of long timescale hot spot relaxation. The approach is applied to model hot spots in the molecular crystalline explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) for a range of shock strengths and two limiting cases for impact orientation. Isotropic and anisotropic HEq models yield similar results, despite TATB exhibiting some of the largest and most anisotropic thermal conductivity values for explosive near normal conditions. The conductivity is found to be a strong function of density, which parametrically captures dependence on temperature, pressure, and material state. The associated root-mean-square errors of the fitted HEq models are approximately 5% of MD predicted final equilibrium temperatures. Here, the conductivity values determined here for TATB hot spots are considerably larger than those used in a prior hot spot criticality study, which may significantly impact predictions for critical hot spot sizes. The approach provides a convenient foundation for determining the effective thermal conductivity for hot spot problems in other explosives and directly yields information on reasonable approximations that might be taken in higher-level models for those materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Giant Isotope Effect of Thermal Conductivity in Silicon Nanowires

Isotopically purified semiconductors potentially dissipate heat better than their natural, isotopically mixed counterparts as they have higher thermal conductivity (κ). But the benefit is low for Si at room temperature, amounting to only ~10% higher κ for bulk 28 Si than for bulk natural Si ( nat Si). Here we show that in stark contrast to this bulk behavior, 28 Si (99.92% enriched) nanowires have up to 150% higher κ than nat Si nanowires with similar diameters and surface morphology. Using a first-principles phonon dispersion model, this giant isotope effect is attributed to a mutual enhancement of isotope scattering and surface scattering of phonons in nat Si nanowires, correlated via transmission of phonons to the native amorphous SiO 2 shell. The Letter discovers the strongest isotope effect of κ at room temperature among all materials reported to date and inspires potential applications of isotopically enriched semiconductors in microelectronics.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Multiscale Thermal Conductivity Modeling of 3D Woven Composite Thermal Protection System Materials

Novel thermal protection systems (TPS) for re-entry and hypersonic vehicles utilize 3D woven composite materials with blended carbon filament tows (yarns) and a phenolic resin matrix. The presence of continuous carbon fibers provides superior stiffness and strength compared to legacy TPS, while the 3D weave pattern provides a great deal of design flexibility for both in-plane and through thickness thermomechanical behavior. However, modeling of 3D woven composites is notoriously complex and numerically intensive. The present investigation utilizes a unique ultra-efficient approach, known as Multiscale Recursive Micromechanics (MsRM), wherein recursive semi-analytical micromechanics methods are employed at various length scales within the composite. The MsRM approach has recently been extended to solve for the effective thermal conductivity as well as the local temperature and thermal flux fields throughout the composite. Presented model results focus on the impact of the microstructural geometry representation at each length scale on the material’s effective thermal conductivity, along with the local thermal flux and temperature fields induced in the microstructures, for a novel 3D woven TPS.

Composite↗
NASA NTRS2006

Heat Transfer In High-Temperature Multilayer Insulation

The combined radiation/conduction heat transfer in high-temperature multilayer insulations for typical reentry of reusable launch vehicles from low Earth orbit was investigated experimentally and numerically. The high-temperature multilayer insulation investigated consisted of gold-coated reflective foils separated by alumina fibrous insulation spacers. The steady-state heat transfer through four multilayer insulation configurations was investigated experimentally over the temperature range of 300-1300 K and environmental pressure range of 1.33 10(exp -5)-101.32 kPa. It was shown that including the reflective foils reduced the effective thermal conductivity compared to fibrous insulation sample at 1.5 times the density of the multilayer sample. A finite volume numerical model was developed to solve the governing combined radiation/conduction heat transfer equations. The radiation heat transfer in the fibrous insulation spacers was modeled using the modified two-flux approximation assuming anisotropic scattering and gray medium. The numerical model was validated by comparison with steady-state experimental data. The root mean square deviation between the predicted and measured effective thermal conductivity of the samples was 9.5%.

Daryabeigi, Kamran↗
NASA NTRS1990

Global effects of thermal conduction on two-phase media

The evolution of two-phase systems of astrophysical gases which change mass between the phases is studied to see whether a steady state is ever reached. The criterion for thermal instability in a cloudy medium is derived. The evolution of the pressure and density of the intercloud medium under the combined effects of heating and radiative cooling of the intercloud gas on the one hand and evaporation and condensation of the clouds on the other is determined. The equilibrium density to which the system evolves is determined for the case when the pressure is fixed. The theory is illustrated by the case in which the intercloud gas is heated by Compton scattering in a hard radiation field and cooled by bremsstrahlung and inverse Compton scattering.

Begelman, Mitchell C.↗
DOE OSTI2021

Conduction Heat Transfer through Solid in Porous Materials: A Comparative Study by Finite-Element Simulations and Effective Medium Approximations

The development of insulation materials with low effective thermal conductivity is essential for energy savings in various applications, including buildings, food services, pipe insulation, and refrigeration. Such materials can be developed by using micro- or nanoporous structures, as well as low-thermal conductivity gases and/or reduced pressure. A variety of effective medium approximation (EMA) models have been developed to study thermal transport through solid in porous structures. However, in many cases, the impacts of porosity on solid conduction are not well predicted by EMA models because of the assumptions made for simplification. Furthermore, the results can vary by a factor of up to 1.5, depending on the morphology of the pores. Hence, proper guidance is needed to choose the appropriate EMA model for a given morphology. This work presents a finite element method study using COMSOL Multiphysics software for various geometries, including hollow cubes, overlapping hollow spheres (normally stacked and tightly packed), and Voronoi structures, and compares the results to those obtained from various EMA models. Simulation results for the hollow cubes and Voronoi structures matched well with the Maxwell-Eucken and Russell model. The results for hollow spheres closely matched the Bauer model and the Glicksman model with fitting parameters. This work provides guidance on analyzing and designing insulation materials for energy savings in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting Thermal Excursions During in situ Oxidative Regeneration of Packed Bed Catalytic Fast Pyrolysis Catalyst

Ex situ catalytic fast pyrolysis (CFP) uses a secondary reactor to upgrade biomass pyrolysis vapors to stabilized CFP oils with reduced oxygen content. In one configuration, the secondary reactor is operated as a packed-bed swing reactor system which allows coke-deactivated beds to be decarbonized in situ while other beds remain online for vapor upgrading. In situ decarbonization must be done carefully to avoid irreversible deactivation and/or physical degradation of catalyst pellets. Given that packed bed reactors are well known to have poor heat transfer characteristics, this is a critical issue impacting scaleability and commercial viability of the technology. To predict thermal excursions during regeneration, finite element computational models have been built to assist in scaling up oxidative decarbonization of a Pt/TiO2 CFP catalyst (0.5 mm spheres) from a bench scale packed bed with 100 g of catalyst to a pilot scale packed bed with 2 kg of catalyst and internal cooling tubes. Based on transient measurements of outlet temperature and effluent CO2 concentration, and using an assumed coke profile and activation energy, this paper demonstrates that specific combinations of effective thermal conductivity and wall heat transfer coefficient can fit bench scale oxidative regeneration data equally well. For the upscaled 2 kg bed, four bench-scale “best fit” parameter pairs give different predictions for location and magnitude of thermal excursions, with the maximum computed bed temperature gradients ranging from 30 °C cm-1 to as high as 3000 °C cm-1. The larger the fraction of heat removal by conduction through the cooling tubes, the greater the differences between the parameter pairs. The modelling results presented in this paper cast doubt on the industrial viability of the proposed combination of catalyst, bed and regeneration process, and point to the need for alternate reactor designs. However, there is considerable uncertainly in some of the key model parameters. The reliability of model predictions can be increased by adding more temperature measurements at key bed locations, testing additional variations in process conditions, performing careful bed dissections to determine the true coke profile, and perhaps most importantly, directly measuring the effective thermal conductivity of the catalyst pellets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

Introduction The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗
NASA NTRSDate not supplied

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗
DOE OSTI2024

Enhancing particle-to-sCO2 heat exchanger effectiveness through novel high-porosity metallic foams

In this project, a novel concept of Octet-shape based lattice frame material was developed for deployment in particle-to-sCO2 heat exchangers for CSP application. A comprehensive experimental and numerical program was performed to investigate and characterize the thermal and flow transport behavior in high porosity lattice frame material. The thermal properties include effective thermal conductivity and interstitial heat transfer coefficient and flow properties including permeability and inertial coefficient. Above quantities were determined for both air flow and heated particle flow through the porous channels which were representative of the hot channel in a typical counter flow heat exchanger. The cold side of the heat exchanger feature minichannels which are known to be very efficient in thermal transport. The goal of this project was to enhance the overall heat transfer coefficient (Up) on the hot side by introducing Octet-shape based lattice frame material through enhancement in effective thermal conductivity of the channel and through enhancement in the interstitial heat transfer coefficient.

14 SOLAR ENERGY↗
NASA NTRS1973

Thermal conductivity of heterogeneous mixtures and lunar soils

The theoretical evaluation of the effective thermal conductivity of granular materials is discussed with emphasis upon the heat transport properties of lunar soil. The following types of models are compared: probabilistic, parallel isotherm, stochastic, lunar, and a model based on nonlinear heat flow system synthesis.

Vachon, R. I.↗
DOE OSTI2025

Demonstration and characterization of insertable passive thermal switches for dynamic building envelopes

A dynamic building envelope integrated with thermal energy storage, such as phase change material (PCM), is an emerging technology that offers a promising solution to improve the energy efficiency of buildings. This study reports the development of insertable thermal switches, which modulate thermal resistance, thereby making building envelopes dynamic and enhancing the use of free ambient heating and cooling. The reported thermal switches are passive, meaning they work solely based on indoor and outdoor temperatures. A single switch when inserted into 10 × 10-in (0.064-m 2 ) XPS foam board insulation demonstrates effective thermal conductivity of 0.050 W/m-K in the resistive state and 0.285 W/m-K in the conductive state. Thermal switches exhibit an effective switching ratio of 5.7, with no noticeable degradation in performance over 770 cycles. Additionally, when integrated into a wall sample containing a PCM layer, switches significantly reduce the PCM solidification time by 43.2% during the cooling process.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Thermal transport exceeding bulk heat conduction due to nonthermal micro/nanoscale phonon populations

While classical size effects usually lead to a reduced effective thermal conductivity, we report here that nonthermal phonon populations produced by a micro/nanoscale heat source can lead to enhanced heat conduction, exceeding the prediction from Fourier's law. We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the source. We discuss analytical solutions of the steady-state BTE for a source with a sinusoidal spatial profile, as well as for a three-dimensional Gaussian “hot spot,” and provide numerical results for single crystal silicon at room temperature. If a micro/nanoscale heat source produces a thermal phonon distribution, it gets hotter than that predicted by the heat diffusion equation; however, if the source predominantly produces low-frequency acoustic phonons with long mean free paths, it may get significantly cooler than that predicted by the heat equation, yielding an enhanced heat transport beyond bulk heat conduction.

42 ENGINEERING↗
DOE OSTI2026

Heat Transfer in Nuclear Waste Glasses: Measurements and Modeling of Thermal Radiation Properties

We measured and modeled near infrared extinction of nuclear waste glasses from 300 °C to 1150 °C to enable predictive radiation heat transfer and thermal conductivity estimates. A composition and redox informed model resolved contributions from key chromophores (Fe+2-O-Fe+3, V+4, free and bonded ?Si-OH groups) and, when present, spinel particles that can cause strong scattering. The model reproduced measured absorption from room temperature up to 1150 °C, with minor discrepancies near 1 µm (likely due to possible trace impurities) and 2.5 µm (linked to uncertainty in hydroxy groups). Spectra showed silicate melts were semitransparent mainly in the 0.5–4.0 µm window, responsible for radiation thermal conductivity that generally increases with increasing temperature. We quantified the dependence of effective thermal conductivity on dissolved water and provided distributions across >100 LAW/HLW/DFHLW melts at 1150 °C, supporting improved melter heat transfer modeling.

Ferkl, Pavel↗
NASA NTRS1987

Thermal diffusive conductivity of dilute superfluid (He-3)-(He-4) mixtures

A new technique is described for measuring the effective thermal conductivity of superfluid (He-3)-(He-4) mixtures. The results confirm the large departures from hydrodynamic theory reported previously. The analysis suggests that the measured conductivity is the finite thermal diffusive conductivity of superfluid helium in the absence of counterflow. This conductivity need not diverge in the limit of small He-3 concentration.

Chui, T. C. P.↗
DOE OSTI2021

Simulation of flame acceleration and deflagration-to-detonation transition with heat transfer in HE product and fractured HE

A simple heat transfer model has been developed for high explosives. For the gaseous high explosive (HE) product, the Smargorinsky eddy viscosity model has been adopted for estimating the turbulent thermal conductivity. Convective heat transfer in the fractured solid HE is modeled as the effective thermal conduction in the porous media, which is equivalent to the enthalpy flux carried by the velocity determined by Darcy’s law with Forchheimer term.Other features of the model include a multi-reaction chain, equation-of-state for each species involved, and a two-phase hotspot model. Test calculations are performed with various initial disturbances. Onset and progress of flame acceleration (FA) and chemical reactions are strongly affected by the heat transfer and initial disturbance. Staged development of FA also affirms the necessity of modeling based on a multi-reaction chain. When conditions warrant,e.g., stronger initial disturbance, FA evolves to deflagration-to-detonation transition (DDT),demonstrating automatic capture of the DDT.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2023

Solid and gas thermal conductivity models improvement and validation in various porous insulation materials

In the past few decades, significant efforts have been made to improve the theoretical understanding of thermal transport mechanisms in thermal insulation materials and push the thermal conductivity's lower limits. However, most works focused singularly on specific types of materials, and the models used for thermal conductivity predictions are diverse - a model that fits one material might not fit others. Here, we improve and unify the gas and solid thermal conductivity models for porous materials. Through experimental characterization of several different materials as well as literature data for other materials, these models are validated. Further, we have also found that the pressure-dependent gas thermal conductivity of most materials can be well fitted by using one or two pore sizes without using a complex pore size distribution. With the refined models, we decompose the effective thermal conductivity of several thermal insulation materials into gas, solid, and radiation contributions. For cellular (polystyrene and polyurethane) foams, the relative contributions from air, solid, and radiation are 58–75%, 3–11%, 16–38%, respectively. For granular porous materials (polyurethane and silica in this work), the contributions from air, solid, and radiation are 45–66%, 34–46%, and 0–8%, respectively. This work is expected to provide guidance on the design and optimization of the next generation of thermal insulation materials, for example, through the effort of reducing gas conduction and radiation in foams and suppressing gas and solid conduction in aerogels.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Size Effects in the Thermal Conductivity of Amorphous Polymers

Manipulating thermal conductivity through nanoengineering is of critical importance to advance technologies, such as soft robotics, artificial skin, wearable electronics, batteries, thermal insulation, and thermoelectrics. Here, by examining amorphous polymers, including polystyrene, polypropylene, polyethylene, and ethylene vinyl alcohol, using molecular dynamics simulations, we find that the thermal conductivities of amorphous polymers can be reduced below their amorphous limit by size effects. Size-dependent thermal transport in amorphous materials is decomposed into crystalline, crystalline-to-amorphous, and amorphous regimes. In the amorphous regime, the mean free path of propagating heat carriers can range from tens of nanometers to more than 100 nm, contributing 16%–36% of the total thermal conductivity. A two-channel model that combines no size effect (i.e., difusons and locons) and size effect (i.e., propagons) is proposed to account for size-dependent thermal conductivity. We also find that the presence of charged molecules in polymers can significantly affect the thermal conductivity and its size effects due to electrostatic interactions. Overall, this work provides insights into the thermal conductivity of amorphous polymers that will have a broad impact on the nano- and chemical engineering of polymers for various energy-related applications.

36 MATERIALS SCIENCE↗