The High-Angle Grain Boundaries of BCC Titanium: Structure, Energy, Width of Special Boundaries. Molecular Dynamics Simulation

MG Urazaliev and ME Stupak and VV Popov, VII INTERNATIONAL YOUNG RESEARCHERS' CONFERENCE - PHYSICS, TECHNOLOGY, INNOVATIONS (PTI-2020), 2313, 030069 (2020).

DOI: 10.1063/5.0032280

Calculations of structure and energy of symmetrical tilt boundaries in BCC Ti have been done by the methods of molecular statistics and molecular dynamics. There results of calculations by both methods are compared. The calculated values of energy and width of boundaries in BCC Ti are compared with the available experimental data.

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