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Results for “Thermal diffusivity”

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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Nonuniversal star formation efficiency in turbulent ISM

We present a study of a star formation prescription in which star formation efficiency (SFE) depends on local gas density and turbulent velocity dispersion, as suggested by direct simulations of SF in turbulent giant molecular clouds (GMCs). We test the model using a simulation of an isolated Milky-Way-sized galaxy with a self-consistent treatment of turbulence on unresolved scales. We show that this prescription predicts a wide variation of local SFE per free-fall time, ϵ{sub ff} ∼ 0.1%–10%, and gas depletion time, t{sub dep} ∼ 0.1–10 Gyr. In addition, it predicts an effective density threshold for star formation due to suppression of ϵ{sub ff} in warm diffuse gas stabilized by thermal pressure. We show that the model predicts star formation rates (SFRs) in agreement with observations from the scales of individual star-forming regions to the kiloparsec scales. This agreement is nontrivial, as the model was not tuned in any way and the predicted SFRs on all scales are determined by the distribution of the GMC-scale densities and turbulent velocities σ in the cold gas within the galaxy, which is shaped by galactic dynamics. The broad agreement of the star formation prescription calibrated in the GMC-scale simulations with observations both gives credence to such simulations and promises to put star formation modeling in galaxy formation simulations on a much firmer theoretical footing.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Impact of Sr-Containing Secondary Phases on Oxide Conductivity in Solid-Oxide Electrolyzer Cells

Solid-oxide electrolyzer cells (SOECs) based on a yttria-stabilized zirconia (YSZ) oxide electrolyte produce hydrogen from water with the assistance of excess thermal energy; however, Sr diffusion within the Gd-doped CeO 2 (GDC) barrier layer during processing or operation can lead to the formation of unwanted secondary phases such as SrO and SrZrO 3 . Here, to establish and compare the degree of impact of these phases on SOEC performance, we conduct first-principles calculations to study their bulk oxide conductivities and compare them to that of the YSZ electrolyte. We find that SrO has a low conductivity arising from the poor mobility and low concentration of mobile oxygen vacancies, and its presence in SOECs should therefore be avoided. SrZrO 3 also has a lower oxide conductivity than YSZ; however, this discrepancy is primarily due to lower vacancy concentrations rather than low mobility. We find that sufficient levels of Y-doping on the Zr site can increase oxygen vacancy concentrations in SrZrO 3 to achieve an oxide ionic conductivity on par with that of YSZ, thereby mitigating any potential deleterious effect on transport performance. Energy-dispersive X-ray spectroscopy confirms that Y is the most common minority element present in SrZrO 3 forming near the GDC–YSZ interface, alleviating concerns regarding the impact of SrZrO 3 on device performance. These results from our combined computational–experimental analysis can inform future engineering strategies designed to limit the detrimental effects of Sr-induced secondary phase formation on SOEC performance.

08 HYDROGEN↗
DOE OSTI2024

Analysis of thermal grooving effects on vortex penetration in vapor-diffused Nb 3 Sn

While Nb 3 Sn theoretically offers better superconducting radio-frequency (RF) cavity performance (Q 0 and E acc ) to Nb at any given temperature, peak RF magnetic fields consistently fall short of the ~400 mT prediction. The relatively rough topography of vapor-diffused Nb 3 Sn is widely conjectured to be one of the factors that limit the attainable performance of Nb 3 Sn-coated Nb cavities prepared via Sn vapor diffusion. Here we investigate the effect of coating duration on the topography of vapor-diffused Nb 3 Sn on Nb and calculate the associated magnetic field enhancement and superheating field suppression factors using atomic force microscopy topographies. It is shown that the thermally grooved grain boundaries are major defects which may contribute to a substantial decrease in the achievable accelerating field. Further, the severity of these grooves increases with total coating duration due to the deepening of thermal grooves during the coating process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Design and Thermal Analysis for Irradiation of Pyrolytic Carbon/Silicon Carbide Diffusion Couples in the High Flux Isotope Reactor

Tristructural-isotropic (TRISO)–coated particle fuel is a promising advanced fuel concept consisting of a spherical fuel kernel made of uranium oxide and uranium carbide, surrounded by a porous carbonaceous buffer layer and successive layers of dense inner pyrolytic carbon (IPyC), silicon carbide (SiC) deposited by chemical vapor , and dense outer pyrolytic carbon (OPyC). This fuel concept is being considered for advanced reactor applications such as high temperature gas-cooled reactors (HTGRs) and molten salt reactors (MSRs), as well as for accident-tolerant fuel for light water reactors (LWRs). Development and implementation of TRISO fuel for these reactor concepts support the US Department of Energy (DOE) Office of Nuclear Energy mission to promote safe, reliable nuclear energy that is sustainable and environmentally friendly. During operation, the SiC layer serves as the primary barrier to metallic fission products and actinides not retained in the kernel. It has been observed that certain fission products are released from TRISO fuel during operation, notably, Ag, Eu, and Sr [1]. Release of these radioisotopes causes safety and maintenance concerns.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1983

Experimental study of the thermal-acoustic efficiency in a long turbulent diffusion-flame burner

An acoustic source/propagation model is used to interpret measured noise spectra from a long turbulent burner. The acoustic model is based on the perturbation solution of the equations describing the unsteady one-dimensional flow of an inviscid ideal gas with a distributed heat source. The model assumes that the measured noise spectra are due uniquely to the unsteady component of combustion heat release. The model was applied to a long cylindrical hydrogen burner operating over a range of power levels between 4.5 kW and 22.3 kW. Acoustic impedances at the inlet to the burner and at the exit of the tube downstream of the burner were measured and are used as boundary conditions for the model. These measured impedances are also presented.

Mahan, J. R.↗
DOE OSTI2016

Effect of intermetallic compounds on the thermal conductivity of Ti-Cu composites

Ti films were deposited by magnetron sputtering on polycrystalline Cu substrates. The samples were annealed at different temperatures and characterized by x-ray diffraction for phase identification, scanning electron microscopy, and energy dispersive spectrometry for microstructure and composition and transient thermoreflectance for thermal conductivity and interface thermal conductance. The results showed that the diffused layer of Ti in Cu contained intermetallic compounds and solid solution of Ti in Cu. The thermal conductivity of the diffused layer is reduced, and the thickness increased for higher annealing temperature. The interface thermal conductance also decreased for higher temperature of annealing. A stable Cu{sub 4}Ti phase was formed after annealing at 725 °C with thermal conductivity of 10 W m{sup −1} K{sup −1}. The interface thermal conductance between the intermetallic compound and the solid solution of Ti in Cu also was reduced to 30 MW m{sup −2} K{sup −1}. The effective thermal resistance of the diffused layer and the interface was found to increase for higher annealing temperature.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Quadrupole Simulations of Thermographic Responses of Composites

Thermography has been shown to be a viable technique for inspection of composites. The quadrupole method has been shown as a viable technique for rapidedly simulating the thermal repsonse of layered systems. Often, the effort has focused on a one-dimentional models, in particular for improved analysis of thermal data. For composites, the in-plane heat diffusion often significantly impacts the thermal response of defects of interest, therefore three-dimensional simulations are desirable. This paper discusses the extension of the quadrupole methodology to perform simulations of thermographic responses in three-dimensional configuration. This enables the more realistic simulations of the thermal response of delaminiations in composites. The simulations are compared to finite element simulations of the same inspection configurations. The simulations are also compared to the thermographic measurements on composites where shape and depth of the delaminations are known obtained from other sources.

Thermography↗
NASA NTRSDate not supplied

Simulation of Thermographic Responses of Delaminations in Composites with Quadrupole Method

Thermography has been shown to be a viable technique for inspection of composites. The quadrupole method is a valuable technique for rapidly simulating the thermal response of layered systems. Often, the effort has focused on a one-dimensional model, in particular for improved analysis of thermal data. For composites, the in-plane heat diffusion often significantly impacts the thermal response of defects of interest, therefore three-dimensional simulations are desirable. This paper discusses the extension of the quadrupole methodology to perform simulations of thermographic responses in three-dimensional configurations. This enables the more realistic simulations of the thermal response of delaminations in composites. The simulations are compared to finite element simulations of the same inspection configurations.

Thermography↗
DOE OSTI2022

Specimen Size Artifacts Associated with a Glovebox Deployable Laser Flash Diffusivity Measurement System

To accelerate nuclear fuel qualification and deployment efforts, Oak Ridge National Laboratory has led the world in developing vehicles for accelerating burnup accumulation in nuclear fuel by testing miniature samples in the High Flux Isotope Reactor. However, a challenge remains to establish parity between post irradiation characterization methods for miniature fuel specimens in comparison to conventional fuel elements. This work aims to identify artifacts associated with the thermal analysis of miniature disk specimens in comparison to samples of standardized dimensions through a combination of experimental and computational tools. Using a newly procured Netzsch 427 laser flash diffusivity system, preliminary data on mild steel specimens were collected, and finite element techniques were used to model heat transfer using 1D conditions to assess issues associated with pulse width and data collection frequency effects. These preliminary investigations found that significant variability in measured thermal diffusivity exist within datasets. These variations are not necessarily attributed to limitations with respect to data collection rate; nor are they associated with limitations on pulse width. Instead, these artifacts may be a result of limitations in detector intensity. Future work aims to design a focusing lens to better measure the smaller surface area of miniature specimens analyzed using the laser flash analysis system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Electronic heat generation in semiconductors: Non-equilibrium excitation and evolution of zone-edge phonons via electron–phonon scattering in photo-excited germanium

We investigate experimentally and using first-principles theory the generation of phonons and the relaxation of carriers on picosecond timescales across the Brillouin zone of photo-excited Ge by inter-valley electron–phonon scattering. The phonons generated are typical of those generated in semiconductor devices, contributing to the accumulation of heat within the material. We simulate the time-evolution of phonon populations, based on first-principles band structure and electron–phonon and phonon–phonon matrix elements, and compare them to data from time-resolved x-ray diffuse scattering experiments, performed at the Linac Coherent Light Source x-ray free-electron laser facility, following photo-excitation by a 50 fs near-infrared optical pulse. We show that the intensity of the non-thermal x-ray diffuse scattering signal, which is observed to grow substantially near the L-point of the Brillouin zone over 3–5 ps, is due to phonons generated by scattering of carriers between the Δ and L valleys. These phonons have low group velocities, resulting in a heat bottleneck. With the inclusion of phonon decay through 3-phonon processes, the simulations also account for other non-thermal features observed in the x-ray diffuse scattering intensity, which are due to anharmonic phonon–phonon scattering of the phonons initially generated by electron–phonon scattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

Thermophysical properties of simple liquid metals: A brief review of theory

In this paper, we review the current theory of the thermophysical properties of simple liquid metals. The emphasis is on thermodynamic properties, but we also briefly discuss the nonequilibrium properties of liquid metals. We begin by defining a 'simple liquid metal' as one in which the valence electrons interact only weakly with the ionic cores, so that the interaction can be treated by perturbation theory. We then write down the equilibrium Hamiltonian of a liquid metal as a sum of five terms: the bare ion-ion interaction, the electron-electron interaction, the bare electron-ion interaction, and the kinetic energies of electrons and ions. Since the electron-ion interaction can be treated by perturbation, the electronic part contributes in two ways to the Helmholtz free energy: it gives a density-dependent term which is independent of the arrangement of ions, and it acts to screen the ion-ion interaction, giving rise to effective ion-ion pair potentials which are density-dependent, in general. After sketching the form of a typical pair potential, we briefly enumerate some methods for calculating the ionic distribution function and hence the Helmholtz free energy of the liquid: monte Carlo simulations, molecular dynamics simulations, and thermodynamic perturbation theory. The final result is a general expression for the Helmholtz free energy of the liquid metal. It can be used to calculate a wide range of thermodynamic properties of simple metal liquids, which we enumerate. They include not only a range of thermodynamic coefficients of both metals and alloys, but also many aspects of the phase diagram, including freezing curves of pure elements and phase diagrams of liquid alloys (including liquidus and solidus curves). We briefly mention some key discoveries resulting from previous applications of this method, and point out that the same methods work for other materials not normally considered to be liquid metals (such as colloidal suspensions, in which the suspended microspheres behave like ions screened by the salt solution in which they are suspended). We conclude with a brief discussion of some non-equilibrium (i.e., transport) properties which can be treated by an extension of these methods. These include electrical resistivity, thermal conductivity, viscosity, atomic self-diffusion coefficients, concentration diffusion coefficients in alloys, surface tension and thermal emissivity. Finally, we briefly mention two methods by which the theory might be extended to non-simple liquid metals: these are empirical techniques (i.e., empirical two- and three-body potentials), and numerical many-body approaches. Both may be potentially applicable to extremely complex systems, such as nonstoichiometric liquid semiconductor alloys.

Stroud, David↗
DOE OSTI2014

Understanding the presence of vacancy clusters in ZnO from a kinetic perspective

Vacancy clusters have been observed in ZnO, but their physical origin remains elusive. This is because under thermal equilibrium clusters typically have higher formation energies. Combining first-principles calculation and kinetic Monte Carlo (kMC) simulation, we determine the roles of non-equilibrium kinetics on the vacancy clustering. We find that clustering starts with the formation of Zn and O vacancy pairs (VZn-Vo), which further grow by attracting additional mono-vacancies. At this stage, vacancy diffusivity becomes crucial: due to the larger diffusivity of VZn compared to VO, more VZn-abundant clusters are formed than VO-abundant clusters. The large dissociation energies, e.g., 3 eV for (VZn-Vo), suggest that, once formed, it is difficult for the clusters to dissociate. As such, thermal annealing will increase the size of the clusters by promoting mono-vacancy diffusion, in agreement with experiment.

Ab initio calculations↗
DOE OSTI2019

Thermalization and possible signatures of quantum chaos in complex crystalline materials

Significance Quantum chaos has been suggested as a framework to understand transport of charge excitations in strongly correlated electron systems exhibiting the “strange metal” state without long-lived quasiparticle excitations. Identifying a characteristic local scrambling time and a velocity by which perturbation propagates into nonlocal degrees of freedom, a chaos diffusivity is identified and related to the measured charge and energy diffusivities. Here we scrutinize the underlying hypothesis that lattice dynamics can be ignored, particularly at high temperatures, where many phonon bands and their interactions dominate the thermal transport in complex materials. We argue that much of the chaotic behavior, which is also identified in complex insulators, originates from phonons, and in equivalent itinerant systems only the thermal (energy) diffusivity describes chaos diffusivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Synthesis, crystal structure, and transport properties of Cu 2.2 Zn 0.8 SnSe 4–x Te x (0.1 ≤ x ≤ 0.4)

Quaternary chalcogenides, particular compounds with the stannite structure-type, are of interest for thermoelectrics applications however tellurium-containing compositions have not been extensively investigated. We report on the synthesis and high temperature thermoelectric properties of p-type stannites Cu 2.2 Zn 0.8 SnSe 4–x Te x (x = 0.1, 0.2, 0.3, and 0.4). The compositions for each specimen were confirmed with a combination of Rietveld refinement and elemental analysis. Hall measurements indicate that holes are the dominant charge carriers in these materials. The electrical resistivity shows little temperature dependence up to 500 K and then increases with increasing temperature. Furthermore, the thermal conductivity decreases with increasing temperature with no indication of increase at higher temperatures suggesting a minimal bipolar diffusion effect in the thermal conductivity although these materials possess relatively small band-gaps as compared to that of other stannite compositions. A maximum ZT value of 0.56 was obtained at 700 K for Cu 2.2 Zn 0.8 SnSe 3.7 Te 0.3 due to a relatively high Seebeck coefficient and low thermal conductivity.

36 MATERIALS SCIENCE↗