|
|||||
|
|
Modelling of a displacive transformation in two-dimensional system within a single-site approximation of continuous displacement cluster variation method |
|
| Authors: | Naoya Kiyokane Tetsuo Mohri |
| Affiliation: | 1. Division of Materials Science and Engineering, Graduate School of Engineering , Hokkaido University , Sapporo , 060-8628 , Japan mate.kiyokane@gmail.com;3. Division of Materials Science and Engineering, Graduate School of Engineering , Hokkaido University , Sapporo , 060-8628 , Japan;4. Research Center for Integrative Mathematics , Hokkaido University , Sapporo , 060-0811 , Japan |
| Abstract: | It is attempted to model a displacive phase transformation by Continuous Displacement Cluster Variation Method. The main focus of the present study is placed on distorted to non-distorted phase transformation in the two-dimensional square lattice. The entropy is formulated within the single-site approximation (point approximation), while the pair-wise atomic interaction energies are combined to stabilize a distorted phase at low temperatures. The distorted to non-distorted phase transformation in the present study is of the second order, and the calculated distribution of atoms suggests that the transformation is of the displacive type in the classification. |
| Keywords: | word cluster variation method continuous displacement cluster variation method martensitic transformation displacive transformation zirconia |