Phonon structure of titanium under shear deformation along {101ˉ2}\{10\bar{1}2\} twinning mode

preprint2020arXivOpen access

Abstract

We investigated phonon behavior of hexagonal close packed titanium under homogeneous shear deformation corresponding to the {101ˉ2}\{10\bar{1}2\} twinning mode using first-principles calculation and phonon calculation. By this deformation, we found that a phonon mode located at a point on Brillouin zone boundary is drastically soften increasing the shear and finally it triggers a spontaneous structural transition by breaking the crystal symmetry toward twin from parent.

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