Geodesic
Non-equilibrium characteristics of heat transfer of copper in a wide temperature range
Matematičeskoe modelirovanie, Tome 34 (2022) no. 10, pp. 65-80.

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The characteristics of nonequilibrium heat transfer of copper, such as thermal conductivity and heat capacity, are obtained in a wide temperature range ($300 \leqslant T \leqslant 5700$ K), including the region of melting-crystallization phase transformations by mathematical modeling. As is known, there are two mechanisms of heat transfer in a solid body: by elastic vibrations of the lattice and by free electrons. When determining these characteristics of copper heat transfer, the lattice and electronic components were taken into account. Modeling of the characteristics of heat transfer of the copper electronic subsystem in this work is based on the use of quantum statistics of the electron gas using the Fermi-Dirac integrals. The properties of the phonon subsystem were determined within the framework of the atomistic approach. The interaction potential of particles of the “embedded atom” family EAM was used for modeling. The simulation results were compared with the results of alternative calculations. The total heat capacity and thermal conductivity of copper, obtained by summing the electronic and phonon components, are compared with the experimental data.
Keywords: nonequilibrium copper heat transfer, electron gas quantum statistics, molecular dynamics modeling.
Mots-clés : FermiDirac integrals 
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V. I. Mazhukin; O. N. Koroleva; M. M. Demin; A. A. Aleksashkina. Non-equilibrium characteristics of heat transfer of copper in a wide temperature range. Matematičeskoe modelirovanie, Tome 34 (2022) no. 10, pp. 65-80. http://geodesic.mathdoc.fr/item/MM_2022_34_10_a3/

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