Lattice Thermal Conductivity of Quartz at High Pressure and Temperature from the Boltzmann Transport Equation
The thermal conductivities along the basal and hexagonal directions of α-quartz silica, the low-temperature form of crystalline SiO2, are predicted from the solution of the Boltzmann transport equation combined with the van Beest, Kramer, and van Santen potential for the temperature up to 900 K and the pressure as high as 4 GPa. The thermal conductivities at atmospheric pressure, which show a negative and nonlinear dependence on temperature, are in reasonable agreement with the experimental data. The influence of pressure on thermal conductivity is positive and linear. The pressure (P) and temperature (T) dependences of the thermal conductivity (λ) in basal and hexagonal directions are fitted to a function of the form λ = (b + cP) Ta. The thermal conductivity, influenced by temperature and pressure, is analyzed based on phonon properties, including spectral thermal conductivity, dispersion relation, phonon density of states, phonon lifetime, and phonon probability density distribution function.
X. Xiong et al., "Lattice Thermal Conductivity of Quartz at High Pressure and Temperature from the Boltzmann Transport Equation," Journal of Applied Physics, vol. 126, no. 21, American Institute of Physics (AIP), Dec 2019.
The definitive version is available at https://doi.org/10.1063/1.5114992
Center for High Performance Computing Research
Keywords and Phrases
Atmospheric pressure; Atmospheric temperature; Boltzmann equation; Distribution functions; Phonons; Probability density function; Quartz, Boltzmann transport equation; Dispersion relations; High-pressure and temperatures; Lattice thermal conductivity; Nonlinear dependence; Phonon density of state; Probability density distribution; Temperature and pressures, Thermal conductivity
International Standard Serial Number (ISSN)
Article - Journal
© 2019 The Authors, All rights reserved.
01 Dec 2019
The support from the National Natural Science Foundation of China (NNSFC) (Grant No. 51720105007) is greatly acknowledged.