Abstract:
The study of grain boundary self-diffusion along asymmetric grain boundaries with the axis of misorientation [110] was carried out using computer modeling methods. The misorientation angle of asymmetric boundaries corresponds to the misorientation angle of the special grain boundary $\Sigma$11(113). The calculation was carried out using of the Morse pair potential and the Cleri–Rosato many-body potential. It is shown that the structure of asymmetrical grain boundaries can be described in the model of structural units – all grain boundaries contain structural elements specific of the $\Sigma$11(113) boundary. The coefficients of grain boundary diffusion were calculated and Arrhenius dependencies were constructed, according to which the activation energies of diffusion were determined. Dependencies have from two to four linear sections. It was found that at high temperatures the grain boundary region amorphized earlier than adjacent grains. This suggests that the boundaries melt at lower temperatures, which ranged from 0.91 to 0.98 melting temperatures.
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