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Continuum Mechanics and Thermodynamics
Published in: Continuum Mechanics and Thermodynamics 6/2019

04-07-2019 | Original Article

Relation between defects and crystalline thermal conduction

Authors: A. A. Le-Zakharov, A. M. Krivtsov, A. V. Porubov

Published in: Continuum Mechanics and Thermodynamics | Issue 6/2019

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Abstract

Modeling of the heat transfer in ideal crystal lattice with defects is performed for measuring the heat conductivity coefficient. A non-steady process in closed system is studied. The method is based on comparison of the results of molecular dynamics simulation and solution of the heat equation. Two-dimensional and three-dimensional structures with dense packing of particles are considered. Defects are modeled by removing or changing the mass of randomly selected lattice atoms. Based on the results of molecular-dynamics modeling, an empirical dependence of the thermal diffusivity on the density of defects is elaborated. It also turns out in a good agreement with experimental data.
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Metadata
Title
Relation between defects and crystalline thermal conduction
Authors
A. A. Le-Zakharov
A. M. Krivtsov
A. V. Porubov
Publication date
04-07-2019
Publisher
Springer Berlin Heidelberg
Published in
Continuum Mechanics and Thermodynamics / Issue 6/2019
Print ISSN: 0935-1175
Electronic ISSN: 1432-0959
DOI
https://doi.org/10.1007/s00161-019-00807-w

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