Continuum Mechanics and Thermodynamics

, Volume 31, Issue 6, pp 1873–1881 | Cite as

Relation between defects and crystalline thermal conduction

  • A. A. Le-Zakharov
  • A. M. Krivtsov
  • A. V. PorubovEmail author
Original Article


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.


Heat transfer Thermal conduction Crystal lattice Defects 



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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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  • A. A. Le-Zakharov
    • 1
    • 2
  • A. M. Krivtsov
    • 1
    • 2
  • A. V. Porubov
    • 1
    • 2
    Email author
  1. 1.Institute for Problems in Mechanical EngineeringSaint PetersburgRussia
  2. 2.Peter the Great St. Petersburg Polytechnic University (SPbPU)Saint PetersburgRussia

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