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Relation between defects and crystalline thermal conduction

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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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Acknowledgements

The work was performed in IPME RAS, supported by the Russian Science Foundation (Grant 19-41-04106). The authors thank a lot the referees for the valuable comments.

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Authors and Affiliations

  1. Institute for Problems in Mechanical Engineering, Bolshoy 61, V.O., Saint Petersburg, Russia

    A. A. Le-Zakharov, A. M. Krivtsov & A. V. Porubov

  2. Peter the Great St. Petersburg Polytechnic University (SPbPU), Polytechnicheskaya st., 29, Saint Petersburg, Russia

    A. A. Le-Zakharov, A. M. Krivtsov & A. V. Porubov

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  1. A. A. Le-Zakharov
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  2. A. M. Krivtsov
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  3. A. V. Porubov
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Correspondence to A. V. Porubov.

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Le-Zakharov, A.A., Krivtsov, A.M. & Porubov, A.V. Relation between defects and crystalline thermal conduction. Continuum Mech. Thermodyn. 31, 1873–1881 (2019). https://doi.org/10.1007/s00161-019-00807-w

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  • DOI: https://doi.org/10.1007/s00161-019-00807-w

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