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At least 847 records · Page 47

Time-dependent computational studies of flames in microgravity

The research performed at the Center for Reactive Flow and Dynamical Systems in the Laboratory for Computational Physics and Fluid Dynamics, at the Naval Research Laboratory, in support of the NASA Microgravity Science and Applications Program is described. The primary focus was on investigating fundamental questions concerning the propagation and extinction of premixed flames in Earth gravity and in microgravity environments. The approach was to use detailed time-dependent, multispecies, numerical models as tools to simulate flames in different gravity environments. The models include a detailed chemical kinetics mechanism consisting of elementary reactions among the eight reactive species involved in hydrogen combustion, coupled to algorithms for convection, thermal conduction, viscosity, molecular and thermal diffusion, and external forces. The external force, gravity, can be put in any direction relative to flame propagation and can have a range of values. A combination of one-dimensional and two-dimensional simulations was used to investigate the effects of curvature and dilution on ignition and propagation of flames, to help resolve fundamental questions on the existence of flammability limits when there are no external losses or buoyancy forces in the system, to understand the mechanism leading to cellular instability, and to study the effects of gravity on the transition to cellular structure. A flame in a microgravity environment can be extinguished without external losses, and the mechanism leading to cellular structure is not preferential diffusion but a thermo-diffusive instability. The simulations have also lead to a better understanding of the interactions between buoyancy forces and the processes leading to thermo-diffusive instability.

Oran, Elaine S.

Observational clues to the energy release process in impulsive solar bursts

The nature of the energy release process that produces impulsive bursts of hard X-rays and microwaves during solar flares is discussed, based on new evidence obtained using the method of Crannell et al. (1978). It is shown that the hard X-ray spectral index gamma is negatively correlated with the microwave peak frequency, suggesting a common source for the microwaves and X-rays. The thermal and nonthermal models are compared. It is found that the most straightforward explanations for burst time behavior are shock-wave particle acceleration in the nonthermal model and thermal conduction fronts in the thermal model.

Batchelor, David

Collision integrals and high temperature transport properties for N-N, O-O, and N-O

Accurate collision integrals for the interactions of N(4S0) + N(4S0), O(3P) + O(3P), and N(4S0) + O(3P) are reported. These are computed from a semiclassical formulation of the scattering using the best available representations of all of the potential energy curves needed to describe the collisions. Spectroscopic curves and other accurate measured data are used where available; the results of accurate ab initio electronic structure calculations are used to determine the remaining potential curves. The high-lying states are found to give the largest contributions to the collision cross sections. The nine collision integrals needed to determine transport properties to second order are tabulated for translational temperatures in the range 250-100,000 K. The viscosity, thermal conductivity, diffusion coefficient, and thermal diffusion factor for a gas composed of nitrogen and oxygen atoms in thermal equilibrium have been calculated. It is found that the second-order contribution to the transport properties is small. Graphs of these transport properties for various mixture ratios are presented for temperatures in the range 5000-15,000 K.

Levin, E.

Collision integrals and high temperature transport properties for N-N, O-O, and N-O

Accurate collision integrals are reported for the interactions of N(4 S 0) + N(4 S 0), O(3 P), and N(4 S 0) + O(3 P). These are computed from a semiclassical formulation of the scattering using the best available representations of all of the potential energy curves needed to describe the collisions. Experimental RKR curves and other accurate measured data are used where available; the results of accurate ab initio electronic structure calculations are used to determine the remaining potential curves. The high-lying states are found to give the largest contributions to the collision cross sections. The nine collision integrals, needed to determine transport properties to second order, are tabulated for translational temperatures in the range 250 K to 100,000 K. These results are intended to reduce the uncertainty in future predictions of the transport properties of nonequilibrium air, particularly at high temperatures. The viscosity, thermal conductivity, diffusion coefficient, and thermal diffusion factor for a gas composed of nitrogen and oxygen atoms in thermal equilibrium are calculated. It was found that the second order contribution to the transport properties is small. Graphs of these transport properties for various mixture ratios are presented for temperatures in the range 5000 to 15000 K.

Levin, E.

Time-dependent Computational Studies of Premixed Flames in Microgravity

This report describes the research performed at the Center for Reactive Flow and Dynamical Systems in the Laboratory for Computational Physics and Fluid Dynamics, at the Naval Research Laboratory, in support of NASA Microgravity Science and Applications Program. The primary focus of this research is on investigating fundamental questions concerning the propagation and extinction of premixed flames in earth gravity and in microgravity environments. Our approach is to use detailed time-dependent, multispecies, numerical models as tools to simulate flames in different gravity environments. The models include a detailed chemical kinetics mechanism consisting of elementary reactions among the eight reactive species involved in hydrogen combustion, coupled to algorithms for convection, thermal conduction, viscosity, molecular and thermal diffusion, and external forces. The external force, gravity, can be put in any direction relative to flame propagation and can have a range of values. Recently more advanced wall boundary conditions such as isothermal and no-slip have been added to the model. This enables the simulation of flames propagating in more practical systems than before. We have used the numerical simulations to investigate the effects of heat losses and buoyancy forces on the structure and stability of flames, to help resolve fundamental questions on the existence of flammability limits when there are no external losses or buoyancy forces in the system, to understand the interaction between the various processes leading to flame instabilities and extinguishment, and to study the dynamics of cell formation and splitting. Our studies have been able to bring out the differences between upward- and downward-propagating flames and predict the zero-gravity behavior of these flames. The simulations have also highlighted the dominant role of wall heat losses in the case of downward-propagating flames. The simulations have been able to qualitatively predict the formation of multiple cells and the cessation of cell-splitting. Our studies have also shown that some flames in a microgravity environment can be extinguished due to a chemical instability and without any external losses. However, further simulations are needed to more completely understand upward-propagating and zero-gravity flames as well as to understand the potential effect of radiative heat losses.

Kailasanath, K.

Thermal shock resistance of ceramic matrix composites

The experimental and analytical investigation of the thermal shock phenomena in ceramic matrix composites is detailed. The composite systems examined were oxide-based, consisting of an aluminosilicate matrix with either polycrystalline aluminosilicate or single crystal alumina fiber reinforcement. The program was divided into three technical tasks; baseline mechanical properties, thermal shock modeling, and thermal shock testing. The analytical investigation focused on the development of simple expressions for transient thermal stresses induced during thermal shock. The effect of various material parameters, including thermal conductivity, elastic modulus, and thermal expansion, were examined analytically for their effect on thermal shock performance. Using a simple maximum stress criteria for each constituent, it was observed that fiber fracture would occur only at the most extreme thermal shock conditions and that matrix fracture, splitting parallel to the reinforcing fiber, was to be expected for most practical cases. Thermal shock resistance for the two material systems was determined experimentally by subjecting plates to sudden changes in temperature on one surface while maintaining the opposite surface at a constant temperature. This temperature change was varied in severity (magnitude) and in number of shocks applied to a given sample. The results showed that for the most severe conditions examined that only surface matrix fracture was present with no observable fiber fracture. The impact of this damage on material performance was limited to the matrix dominated properties only. Specifically, compression strength was observed to decrease by as much as 50 percent from the measured baseline.

Carper, D. M.

Thermal design and test of a high power spacecraft transponder platform

The high power transponder subsystem on board the Communications Technology Satellite (CTS) requires some unique thermal control techniques to maintain the required temperature limits throughout all mission phases. The transponder subsystem includes redundant 20-W output travelling wave tubes and a single 200-W output TWT with highly concentrated thermal dissipations of 70 W and 143 W, respectively. A thermal control system which maintains all components within the required temperature ranges has been designed and verified in thermal balance testing. Included in the design are second surface quartz mirrors on an aluminum honeycomb platform, high thermal conductivity aluminum doubler plates, commandable thermal control heaters and a Variable Conductance Heat Pipe System (VCHPS).

Stipandic, E. A.

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

A Model of Radiative and Conductive Energy Transfer in Planetary Regoliths

The thermal regime in planetary regoliths involves three processes: propagation of visible radiation, propagation of thermal radiation, and thermal conduction. The equations of radiative transfer and heat conduction are formulated for particulate media composed of anisotropically scattering particles. Although the equations are time dependent, only steady state problems are considered in this paper. Using the two-stream approximation, solutions are obtained for two cases: a layer of powder heated from below and an infinitely thick regolith illuminated by visible radiation. Radiative conductivity, subsurface temperature gradients, and the solid state greenhouse effect all appear intrinsically in the solutions without ad hoc additions. Although the equations are nonlinear, approximate analytic solutions that are accurate to a few percent are obtained. Analytic expressions are given for the temperature distribution, the optical and thermal radiance distributions, the hemispherical albedo, the hemispherical emissivity, and the directional emissivity. Additional applications of the new model to three problems of interest in planetary regoliths are presented by Hapke.

Hapke, Bruce

Strong Thermoset Regolith UV-Curable Composite Technology (STRUCT) Overview

Future lunar surface missions require construction materials that can be manufactured in situ using lo-cal resources while operating under extreme environmental conditions. Many Lunar material demands can be solved solely with regolith by compacting or sintering. And yet past Lunar missions rely on polymeric materials, and sustained Lunar missions must reduce Earth-supplied polymers dependence. Dual-cure (Ultraviolet (UV) and thermal) polymer-regolith composites offer a promising pathway by leveraging solar UV radiation, moderate thermal in-put, and regolith. Mission mass limits, power availability and energy constraints on the lunar surface further motivate low-energy processing and curing strategies for surface construction materials. The Strong Thermoset Regolith UV-Curable Composite Technology (STRUCT) project has successfully synthesized and demonstrated dual-cure photopolymer resins derivable from in-situ resources [3]. Morphological, thermal, and mechanical characterization show that the newly formulated UV curable resin systems integrates well with lunar regolith simulants. Processing and chemistry changes, and computational analysis advanced the composite design. X-ray CT scanned and computational analysis demonstrate that resin, regolith and additives are well incorporated. The large fraction of regolith, 95% by mass, large char yield (82% mass), low thermal conductivity (0.26 W/m/K), confirm this material as a promising high-performance thermal and structural material.

thermal conductivity

Cooling device featuring thermoelectric and diamond materials for temperature control of heat-dissipating devices

A cooling device for lowering the temperature of a heat-dissipating device. The cooling device includes a heat-conducting substrate (composed, e.g., of diamond or another high thermal conductivity material) disposed in thermal contact with the heat-dissipating device. During operation, heat flows from the heat-dissipating device into the heat-conducting substrate, where it is spread out over a relatively large area. A thermoelectric cooling material (e.g., a Bi.sub.2 Te.sub.3 -based film or other thermoelectric material) is placed in thermal contact with the heat-conducting substrate. Application of electrical power to the thermoelectric material drives the thermoelectric material to pump heat into a second heat-conducting substrate which, in turn, is attached to a heat sink.

Vandersande, Ian W.

Heat transfer, thermal control, and heat pipes

This volume provides information on recent progress in spacecraft thermal control and the supporting disciplines of conduction, thermal radiation, and heat pipe theory and application. Four problem areas are considered: conduction heat transfer, radiation heat transfer, thermal control, and heat pipes. The topics covered include finite-element methodology for transient conduction/forced-convection thermal analysis; effects of surface finish on thermal contact resistance between different materials; mathematical models for wide-band nongray gas radiation in spherical and cylindrical geometries; thermal design, analysis and testing of the Shuttle remote manipulator arm; porous heat pipe; and transient behavior of liquid trap heat-pipe thermal diodes. Also discussed is the thermal design concept for a high-resolution UV spectrometer.

Olstad, W. B.

Thermal Diffusivity and Conductivity of Hg(1-x)Zn(x)Te Solids and Melts

The thermal diffusivity of pseudobinary Hg(1-x)Zn(x)Te solids and melts was measured by the laser flash method. The measured diffusivities for the solids of 0.10 less than or equal to x less than or equal to 0.30 are about 60% of that of the HgTe solid. Those for the melts rise rapidly with temperature but less so with increasing x. For x = 0.30, the diffusivity of the melt is about one third of that of the HgTe melt. Using the calculated beat capacity data from the associated solution model and measured density values, the thermal conductivity for the pseudobinary Hg(1-x)Zn(x)Te solids of 0.10 less than or equal to x less than or equal to 0.30 and for the melts of x = O.10, 0.16, and 0.30 was determined.

Sha, Yi-Gao

On the vertical thermal structure of Io's atmosphere

A radiative-thermal conduction model for the vertical thermal structure of Io's atmosphere is developed with solar heating by SO2 absorption in UV and near-IR bands and non-local thermodynamic equilibrium (LTE) cooling by SO2 nu(sub 1), nu(sub 2), nu(sub 3), vibrational bands and rotational lines. The model predicts the existence of a mesopause in Io's atmosphere when the surface pressure exceeds approximately 10 nbar. The radiative time constant for establishing a mesosphere/mesopause on Io is only approximately 20 min, whereas the thermospheric radiative time constant is about 1 hr. These time constants are significantly shorter than the diurnal time scale and competitive with dynamic time scales. In the thermosphere when solar UV heating dominates, the asymptotic thermospheric temperature is approximately 270 K, only 140 K greater than the surface temperature because at high altiudes non-LTE cooling by SO2 rotation lines exceeds cooling in the nu(sub 2) virbrational band. Solar-heating-only modles are incapable of generating warm enough atmospheres to satisfy the observational inferences from UV and especially millimeter-wave meausrements. Joule heating driven by the penetration of Jupiter's corotational electric field into Io's conducting ionosphere is demonstrated to be the dominant heating mechanism in the subnanobar regions of Io's atmosphere with tempertures ranging from 150 to 1000 K as a function of decreasing pressure from 1 to 0.1 nbar, The asymoptotic thermospheric temperature can attain a value as high as 1800 K.

Strobel, Darrell F.

AI‐Driven Defect Engineering for Advanced Thermoelectric Materials

Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient, and thermal conductivity, which are further complicated by the presence of defects. This review explores how artificial intelligence (AI) and machine learning (ML) are transforming thermoelectric materials design. Advanced ML approaches including deep neural networks, graph-based models, and transformer architectures, integrated with high-throughput simulations and growing databases, effectively capture structure-property relationships in a complex multiscale defect space and overcome the “curse of dimensionality”. This review discusses AI-enhanced defect engineering strategies such as composition optimization, entropy and dislocation engineering, and grain boundary design, along with emerging inverse design techniques for generating materials with targeted properties. Finally, it outlines future opportunities in novel physics mechanisms and sustainability, highlighting the critical role of AI in accelerating the discovery of thermoelectric materials.

36 MATERIALS SCIENCE

Parameterizing empirical interatomic potentials for predicting thermophysical properties via an irreducible derivative approach: the case of ThO 2 and UO 2

The accuracy of classical physical property predictions using molecular dynamics simulations is determined by the quality of the interatomic potentials. Here we introduce a training approach for empirical interatomic potentials (EIPs) which is well suited for capturing phonons and phonon-related properties. Our approach is based on direct comparisons of the second- and third-order irreducible derivatives (IDs) between an EIP and the Born–Oppenheimer potential within density functional theory (DFT) calculations. IDs fully exploit space group symmetry and allow for training without redundant information. We demonstrate the fidelity of our approach in the context of ThO 2 and UO 2 , where we optimize parameters of an embedded-atom method potential in addition to core–shell interactions. Our EIPs provide thermophysical properties in good agreement with DFT and outperform widely utilized EIPs for phonon dispersion and thermal conductivity predictions. Reasonable estimates of thermal expansion and formation energies of Frenkel pairs are also obtained.

empirical interatomic potential