Structure and Energy of Symmetric Tilt Boundaries with the < 110 > Axis in Ni and the Energy of Formation of Vacancies in Grain Boundaries
MG Urazaliev and ME Stupak and VV Popov, PHYSICS OF METALS AND METALLOGRAPHY, 122, 665-672 (2021).
Fourteen symmetric tilt boundaries with the < 110 > axis in Ni have been investigated by computer simulation with an embedded atom potential. The structures, energies, and widths of the grain boundaries have been calculated using the method of molecular statics simulation. It is shown that the structure of symmetric tilt boundaries with the < 110 > axis can be represented by a limited number of structure components. The stability of boundary structures at elevated temperatures has been studied using the molecular dynamics method. The energies of formation of vacancies in grain boundaries have been calculated.
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