Structure and Energy of ⟨110⟩ Symmetric Tilt Boundaries in Polycrystalline Tungsten

A computer simulation of the structure and energy of < 110 > symmetric tilt boundaries has been performed for polycrystalline tungsten. Calculations have been made using an embedded atom potential implemented in the LAMMPS software. It has been shown that structure of the < 110 > symmetric tilt boundaries can consist of a limited number of structural elements. The energy and width of grain boundaries for different misorientations, as well as energies of vacancy formation have been determined via molecular statistics simulation of grain boundaries. The correlation between the energy of vacancy formation in grain boundaries and changes in the boundary structure has been analyzed.