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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 469 records · Page 26

Towards inverse microstructure-centered materials design using generative phase-field modeling and deep variational autoencoders

The field of Integrated Computational Materials Engineering (ICME) combines a broad range of methods to study materials’ responses over a spectrum of length scales. A relatively unexplored aspect of microstructure-sensitive materials design is uncertainty propagation and quantification (UP/UQ) of materials’ microstructure, as well as establishing process-structure–property (PSP) relationships for inverse material design. In this study, an efficient UP technique built on the idea of changing probability measures and a deep generative unsupervised representative machine learning method for microstructure-based design of thermal conductivity of materials is proposed. Probability measures are used to represent microstructure space, and Wasserstein metrics are used to test the efficiency of the UP method. By using deep Variational AutoEncoder (VAE), we identify the correlations between the material/process parameters and the thermal conductivity of heterogeneous dual-phase microstructures. Through high-throughput screening, UP, and the deep-generative VAE method, PSP relationships that are too complex can be revealed by exploiting the materials’ design space with an emphasis on microstructures. As a last point, we demonstrate generative machine learning serves as a useful tool for inverse microstructure-centered materials design, and we demonstrate this by examining the inverse design of thermal conductivity in nano-structured materials. Here, the results reveal the effects of morphology, volume fraction, characteristic length scale, and the individual thermal diffusivity of phases on the thermal conductivity of dual-phase alloys. Our findings emphasize the advantages of high-throughput phase-field modeling and generative deep learning for linking PSP and inverse microstructure-centered materials design.

36 MATERIALS SCIENCE↗

Impacts of point defects on shallow doping in cubic boron arsenide: A first principles study

Cubic boron arsenide (BAs) stands out as a promising material for advanced electronics, thanks to its exceptional thermal conductivity and ambipolar mobility. However, effective control of p- and n-type doping in BAs poses a significant challenge, mostly as a result of the influence of defects. In the present study, we employed density functional theory (DFT) to explore the impacts of the common point defects and impurities on p-type doping of Be B and Si As , and on n-type doping of Si B and Se As . We found that the most favorable point defects formed by C, O, and Si are C As , O B O As , Si As , C As Si B , and O B Si As , which have formation energies of less than 1.5 eV. While the O impurity detrimentally affects both p- and n-type dopings, C and Si impurities are harmful for n-type dopings, making n-type doping a potential challenge. Interestingly, the antisite defect pair A s B B As benefits both p- and n-type doping. Finally, the doping limitation analysis presented in this study can potentially pave the way for strategic development in the area of BAs-based electronics.

36 MATERIALS SCIENCE↗

Sample shape and boundary dependence of measured transverse thermal properties

In spite of increased interest in thermal Hall measurements for the analysis of insulating quantum materials, there remains large uncertainty in such measurements due to contact misalignment. In this paper, we propose that sample geometry and uncertain boundary conditions provide an additional source of uncertainty in the measurement of $D_{xy}$ or $κ_{xy}$. By running simple simulations in an open source finite-element solver, we demonstrate that measured $D_{xy}$ can be changed by a non-negligible fraction in samples with similar width and length. This geometric corrective factor depends on the distinction between a uniform heat flow and constant temperature boundary couplings to a bath. Sample geometry and boundary conditions can be accounted for through simulation or by using rectangular samples to make thermal Hall measurements more reliable and reproducible. Finally, we detail a contactless optical method for measuring $D_{xy}$ based on an existing photothermal microscope technique. This method is insensitive to the longitudinal diffusivity pollution caused by contact misalignment.

36 MATERIALS SCIENCE↗

Hot-spot model for inertial confinement fusion implosions with an applied magnetic field

Imposing a magnetic field on inertial confinement fusion implosions magnetizes the electrons in the compressed fuel; this suppresses thermal losses, which increases temperature and fusion yield. Indirect-drive experiments at the National Ignition Facility with 12 and 26 T applied magnetic fields demonstrate up to 40% increase in temperature, 3× increase in fusion yield, and indicate that magnetization alters the radial temperature profile [Moody et al., Phys. Rev. Lett. 129, 195002 (2022); Lahmann et al., APS DPP (2022)]. In this work, we develop a semi-analytic hot-spot model, which accounts for the two-dimensional (2D) Braginskii anisotropic heat flow due to an applied axial magnetic field. First, we show that hot-spot magnetization alters the radial temperature profile, increasing the central peakedness, which is most pronounced for moderately magnetized implosions (with 8–14 T applied field), compared to both unmagnetized (with no applied field) and highly magnetized (with 26 T or higher applied field) implosions. This model explains the trend in the experimental data, which finds a similarly altered temperature profile in the 12 T experiment. Next, we derive the hot-spot model for gas-filled (Symcap) implosions, accounting for the effects of magnetization on the thermal conduction and in changing the radial temperature (and density) profiles. Using this model, we compute predicted central temperature amplification and yield enhancement scaling with the applied magnetic field. The central temperature fits the experimental data accurately, and the discrepancy in the yield suggests a systematic (independent of applied field) degradation, such as mix, and additional degradation in the reference unmagnetized shot, such as reduced laser drive, increased implosion asymmetry, or the magnetic field suppressing ablator mixing into the hot-spot.

Alpha particles↗

Staged cooling of a fusion-grade plasma in a tokamak thermal quench

Abstract In tokamak disruptions where the magnetic connection length becomes comparable to or even shorter than the plasma mean-free-path, parallel transport can dominate the energy loss and the thermal quench of the core plasma goes through four phases (stages) that have distinct temperature ranges and durations. The main temperature drop occurs while the core plasma remains nearly collisionless, with the parallel electron temperature T e ∥ dropping in time t as T e ∥ ∝ t − 2 and a cooling time that scales with the ion sound wave transit time over the length of the open magnetic field line. These surprising physics scalings are the result of effective suppression of parallel electron thermal conduction in an otherwise bounded, quasineutral, and collisionless plasma, which is different from what are known to date on electron thermal conduction along the magnetic field in a nearly collisionless and quasineural plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulating Fracture Sealing by Granular LCM Particles in Geothermal Drilling

Lost circulation occurs when the returned fluid is less than what is pumped into the well due to loss of fluid to pores or fractures. A lost-circulation event is a common occurrence in a geothermal well. Typical geothermal reservoirs are often under-pressured and have larger fracture apertures. A severe lost-circulation event is costly and may lead to stuck pipe, well instability, and well abandonment. One typical treatment is adding lost-circulation materials (LCMs) to seal fractures. Conventional LCMs fail to properly seal fractures because their mechanical limit is exceeded at elevated temperatures. In this paper, parametric studies in numerical simulations are conducted to better understand different thermal effects on the sealing mechanisms of LCMs. The computational fluid dynamics (CFDs) and the discrete element method (DEM) are coupled to accurately capture the true physics of sealing by granular materials. Due to computational limits, the traditional Eulerian–Eulerian approach treats solid particles as a group of continuum matter. With the advance of modern computational power, particle bridging is achievable with DEM to track individual particles by modeling their interactive forces between each other. Particle–fluid interactions can be modeled by coupling CFD algorithms. Fracture sealing capability is investigated by studying the effect of four individual properties including fluid viscosity, particle size, friction coefficient, and Young’s modulus. It is found that thermally degraded properties lead to inefficient fracture sealing.

15 GEOTHERMAL ENERGY↗

ELECTRON TEMPERATURES IN THE UPPER ATMOSPHERE

Energy loss processes for fast electrons, electron heating efficiency, heat input to the electron gas, effect of thermal coupling, and electron thermal conductivity above the f2 peak

F- 2 LAYER↗

Hydrogen-oxygen catalytic ignition and thruster investigation. Volume 2: High pressure thruster evaluations

A high pressure thruster effort was conducted with the major objective of demonstrating a duct cooling concept with gaseous propellant in a thruster operating at nominally 300 psia and 1500 lbf. The analytical design methods for the duct cooling were proven in a series of tests with both ambient and reduced temperature propellants. Long duration tests as well as pulse mode tests demonstrated the feasibility of the concept. All tests were conducted with a scaling of the raised post triplet injector design previously demonstrated at 900 lbf in demonstration firings. A series of environmental conditioned firings were also conducted to determine the effects of thermal soaks, atmospheric air and high humidity. This volume presents the results of the high pressure thruster evaluations.

Johnson, R. J.↗

Studies relating to temperature control of a large scale telescope

Analytical methods are developed for estimating the circumferential and longitudinal temperature distributions in a large space telescope, idealized as a simple insulated tube with a flat mirror across one end. The effects of wall conduction, multilayer insulation, thermal coatings, heat pipes, and heated collars are analyzed, with numerical examples. For most of the study, the only thermal input to the tube was assumed to be from steady solar irradiation from one side, as in a geosynchronous orbit. Unsteady heat flow through the insulation, as in alternating sunlight and shadow of a low orbit, is briefly discussed.

Katzoff, S.↗

The effect of the transport property models on the shuttle boundary layer

Theoretical solutions for the nonsimilar, laminar boundary-layer were computed for four points along the shuttle entry trajectory. Since the boundary layer is that region of the flow field where the effects of viscosity and of thermal conductivity are most important, numerical solutions for the boundary layer were generated using different models for the transport properties. These solutions indicate that the displacement thickness and the heat-transfer rates are very sensitive to changes in the models for thermal conductivity and for specific heat. Thus, the solutions are sensitive to the assumed transport-property model.

Bertin, J. J.↗

Multiple parent bodies of ordinary chondrites

Thermal histories of chondrite parent bodies are calculated from an initial state with material in a powder-like form, taking into account the effect of consolidation state on thermal conductivity. The very low thermal conductivity of the starting materials makes it possible for a small body with a radius of less than 100 km to be heated by several hundred degrees even if long-lived radioactive elements in chondritic abundances are the only source of heat. The maximum temperature is determined primarily by the temperature at which sintering of the constituent materials occurs. The thermal state of the interior of a chondrite parent body after sintering has begun is nearly isothermal. Near the surface, however, where the material is unconsolidated and the thermal conductivity is much lower, the thermal gradient is quite large. This result contradicts the conventional 'onion-shell' model of chondrite parent bodies. But because the internal temperature is almost constant through the whole body, it supports a 'multiple-parent bodies' model, according to which each petrologic type of chondrite comes from a different parent body.

Yomogida, K.↗

A shock condensation mechanism for loop prominences

Self-consistent, numerical solutions of the resistive MHD equations in two dimensions show that a quasi-stationary, fast-mode shock is a characteristic feature of the reconnection dynamics of the Kopp-Pneuman model of two-ribbon flares. A preliminary analysis of the effects of radiative cooling and thermal conduction suggests that the fast shock can help trigger a thermal condensation (i.e., a loop prominence)if the reconnecting magnetic fields are sufficiently strong.

Forbes, T. G.↗

Thermal instability of a radiative and resistive coronal plasma

Thermal instability is believed to determine the evolution and formation of cool structures in the solar atmosphere such as the transition region and prominences (or filaments). The linear modes that arise in a sheared, force-free, magnetic field due to thermal instability are studied numerically. Previous studies have considered separately modes that arise due to the effects of radiation, compression, anisotropic thermal conduction, and ohmic heating. Here the results of such studies are integrated, first by presenting simple arguments that illustrate the essential physics of ideal, sheared-field, condensation modes, and second by showing numerically how finite resistivity affects the condensational instability in parameter regimes applicable to the solar corona.

Sparks, L.↗

Flare model sensitivity of the Balmer spectrum

Careful studies of various chromospheric spectral signatures are very important in order to explore their possible sensitivity to the modifications of the thermodynamic quantities produced by the flare occurrence. Pioneer work of Canfield and co-workers have shown how the H alpha behavior is able to indicate different changes in the atmospheric parameters structure associated to the flare event. It was decided to study the behavior of the highest Balmer lines and of the Balmer continuum in different solar flare model atmospheres. These spectral features, originating in the deep photosphere in a quiet area, may have a sensitivity different from H alpha to the modification of a flare atmosphere. The details of the method used to compute the Stark profile of the higher Balmer line (n is greater than or equal to 6) and their merging were extensively given elsewhere (Donati-Falchi et al., 1985; Falchi et al., 1989). The models used were developed by Ricchiazzi in his thesis (1982) evaluating the chromospheric response to both the nonthermal electron flux, for energy greater than 20 kev, (F sub 20) and to the thermal conduction, (F sub c). The effect of the coronal pressure values (P sub O) at the apex of the flare loop is also included.

Falchi, A.↗

Novel fabrication technique for improving the figure-of-merit of thermoelectric materials

Reduction of the thermal conductivity of thermoelectric materials in order to improve the figure of merit and, hence, the conversion efficiency is discussed. A novel fabrication technique that reduces the thermal conductivity without too adverse an effect on the electrical properties is reported. This is achieved by producing an oxygen-free, very-fine-grain SiGe alloy with very small (on the order of 50 A) precipitates.

Beaty, J. S.↗

ISM stripping from cluster galaxies and inhomogeneities in cooling flows

Analyses of the x ray surface brightness profiles of cluster cooling flows suggest that the mass flow rate decreases towards the center of the cluster. It is often suggested that this decrease results from thermal instabilities, in which denser blobs of gas cool rapidly and drop below x ray emitting temperatures. If the seeds for the thermal instabilities are entropy perturbations, these perturbations must enter the flow already in the nonlinear regime. Otherwise, the blobs would take too long to cool. Here, researchers suggest that such nonlinear perturbations might start as blobs of interstellar gas which are stripped out of cluster galaxies. Assuming that most of the gas produced by stellar mass loss in cluster galaxies is stripped from the galaxies, the total rate of such stripping is roughly M sub Interstellar Matter (ISM) approx. 100 solar mass yr(-1). It is interesting that the typical rates of cooling in cluster cooling flows are M sub cool approx. 100 solar mass yr(-1). Thus, it is possible that a substantial portion of the cooling gas originates as blobs of interstellar gas stripped from galaxies. The magnetic fields within and outside of the low entropy perturbations can help to maintain their identities, both by suppressing thermal conduction and through the dynamical effects of magnetic tension. One significant question concerning this scenario is: Why are cooling flows seen only in a fraction of clusters, although one would expect gas stripping to be very common. It may be that the density perturbations only survive and cool efficiently in clusters with a very high intracluster gas density and with the focusing effect of a central dominant galaxy. Inhomogeneities in the intracluster medium caused by the stripping of interstellar gas from galaxies can have a number of other effects on clusters. For example, these density fluctuations may disrupt the propagation of radio jets through the intracluster gas, and this may be one mechanism for producing Wide-Angle-Tail radio galaxies.

Soker, Noam↗

Emission processes and dynamics of hot gases in astrophysics

A detailed model was developed for Kepler's supernova remnant (SNR). Observations of the SNR revealed a strong interaction with the surrounding circumstellar medium, which was studied through both analytical and numerical calculations. Effects were studied of electron thermal conduction on the structure of radiative interstellar shock waves. An explanation is sought for the observed line emission from metal rich ejecta in SNR, incorporating atomic data. Light echoes around SN 1987A was also studied. Analysis of infrared and scattered circumstellar light echoes was accomplished with early observations to set limits on the mass of circumstellar dust. Work was completed on the emission from heavy element gas ejected in the supernova explosion of massive stars. It was assumed that a radioactive energy source was present and calculated the detailed heating and ionization of the gas. The evolution was studied of SNR in the very high pressure environment of a starburst galaxy.

Chevalier, Roger A.↗