Abstract
The characteristics of nonequilibrium heat transfer of copper, such as thermal conductivity and heat capacity, are obtained in a wide temperature range (300 ≤ T ≤ 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.
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Funding
The work was supported by Russian Science Foundation, project no. 18-11-00318.
The results were obtained using the equipment of Shared Resource Center of the Keldysh Institute of Applied Mathematics of the Russian Academy of Sciences (http://ckp.kiam.ru).
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Mazhukin, V.I., Koroleva, O.N., Demin, M.M. et al. Nonequilibrium Characteristics of Heat Transfer of Copper in a Wide Temperature Range. Math Models Comput Simul 15, 415–426 (2023). https://doi.org/10.1134/S2070048223030110
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DOI: https://doi.org/10.1134/S2070048223030110