Abstract
The influence of the segregation energy on the diffusion of second-component atoms in copper is studied by molecular statics and dynamics methods. A number of modified potential is considered. The segregation energy of atoms in a grain boundary is calculated. The number of second-component atoms involved in a diffusion process is found to decrease because of desorption, which leads to a decrease in the grain-boundary diffusion coefficient.
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Funding
This work was supported by the Russian Science Foundation, project no. 16-12-10478.
The simulation was carried out on the Cherry computer cluster at the Laboratory of Simulation and Development of New Materials of MISiS, project no. 14.Y26.31.0005 of the Ministry of Education and Science of the Russian Federation.
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Translated by K. Shakhlevich
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Kulagin, V.V., Itskovich, A.A., Rodin, A.O. et al. Effect of Grain-Boundary Segregation on the Diffusion of Atoms in Grain Boundaries in Copper-Based Systems. Russ. Metall. 2020, 1055–1059 (2020). https://doi.org/10.1134/S0036029520100158
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DOI: https://doi.org/10.1134/S0036029520100158