Phonon structure of titanium under shear deformation along \1012\ twinning mode
Abstract
We investigated phonon behavior of hexagonal close packed titanium under homogeneous shear deformation corresponding to the \1012\ 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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