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. 2016 Apr 12;6:24370. doi: 10.1038/srep24370

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Topological models and DFT calculations: (a) Coherent dichromatic complex of hcp-Ti and fcc-Ti where the two crystals retain coherency in the x- and z- axes and adopt the orientation relation described as the x-axis along the 〈〉_hcp and 〈〉_fcc, the y-axis along 〈〉hcp and 〈110〉fcc, and the z-axis along 〈0001〉hcp and 〈001〉fcc. (b) Nucleation of an fcc band with three atomic layers in thickness via pure-shuffle mechanism. (c,d) Two possible types of coherent phase interface. (e) Relaxation of interface in (c) to interface in (d), indicating only interface in (d) is energetically stable. (f) DFT calculations of fcc-Ti band embedded in hcp matrix to exam stability of fcc bands with respect to external strain.

Inline graphic — Topological models and DFT calculations: (a) Coherent dichromatic complex of hcp-Ti and fcc-Ti where the two crystals retain coherency in the x- and z- axes and adopt the orientation relation described as the x-axis along the 〈〉_hcp and 〈〉_fcc, the y-axis along 〈〉hcp and 〈110〉fcc, and the z-axis along 〈0001〉hcp and 〈001〉fcc. (b) Nucleation of an fcc band with three atomic layers in thickness via pure-shuffle mechanism. (c,d) Two possible types of coherent phase interface. (e) Relaxation of interface in (c) to interface in (d), indicating only interface in (d) is energetically stable. (f) DFT calculations of fcc-Ti band embedded in hcp matrix to exam stability of fcc bands with respect to external strain.