We use first-principles density functional theory (DFT) calculations to obtain solid-solid interface energy of bccTi (12)/hcp Ti(100). We find that the interface energy is negative which accounts for the strong chemical bonding and mixing of atoms in the interfacial region leading to spontaneous phase transformation. The lower interface energy for the hcp Ti/bcc Ti interface than that reported for other fcc Fe/hcp Fe and Ti/TiX(X=C, N) interfaces in the literature gives this interface a much better stability.
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