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Effect of Grain-Boundary Segregation on the Diffusion of Atoms in Grain Boundaries in Copper-Based Systems

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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… Click to show full 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.

Keywords: grain boundary; atoms grain; effect grain; boundary segregation; diffusion

Journal Title: Russian Metallurgy (Metally)
Year Published: 2020

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