An energetic study on the preference of the habit plane in fcc/bcc system

XF Gu and WZ Zhang, SOLID-SOLID PHASE TRANSFORMATIONS IN INORGANIC MATERIALS, PTS 1-2, 172-174, 260-266 (2011).

DOI: 10.4028/www.scientific.net/SSP.172-174.260

The preference of the habit planes (HPs) developed from precipitation in the fcc/bcc system has been investigated. The interfacial energy of different interface orientations has been examined with variation of the orientation relationships (OR) and lattice parameters by a classical molecular dynamics method. The results show that interface has the lowest interfacial energy when it contains parallel Burgers vectors and a set of dislocations. The local minimum of interfacial energy may not associated with a maximum of dislocation spacing. It is also found that the near Kurdjumov-Sachs OR is more preferable than the near Nishiyama- Wasserman OR. Contrary to the previous interfacial energy calculations, which usually limit to rational ORs, the present work allows ORs to be irrational, which agrees with the observations.

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