Molecular Dynamics Simulations of Phase Transformation Behavior at BCC-HCP Interfaces in Titanium
Year: 2026
Type: article
Abstract: Phase transformation behaviors at interfaces between BCC and HCP in pure titanium were investigated using molecular dynamics simulations. This study focused on the influences of orientation relationships on the BCC-to-HCP phase transformation. For the Mao orientation relationship, planar migration of the BCC-HCP interface was observed, and the interface migration velocity decreased with increasing temperature. On the other hand, for the Burgers orientation relationship, which differs from the Mao orientation relationship by a rotation of 5.26° about the [110]BCC axis, growth with protrusions was observed instead of planar migration of the interface. Additionally, the (̅1010)HCP//(121̅)BCC interface which bounded the protruding growth regions, did not sustain stable migration. These molecular dynamics simulations demonstrate that orientation relationships at the BCC-HCP interfaces strongly affect the phase transformation behavior.
Authors: Shota SUGIURA, Daisuke MATSUNAKA
Institution: Shinshu University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W7130575501