| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1564311 | Computational Materials Science | 2007 | 4 Pages |
Abstract
In this work we have employed atomistic simulation to model some mechanical and elastic properties of the Ba2BiTaO6 compound under pressure changes. For this, we have assumed an interionic pairwise potential data that fit well the compound structure at room pressure and temperature. The potential is very sensitive to the structural phase transition induced by the hydrostatic pressure that this compound undergoes at around 4 GPa.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
E.F.V. Carvalho, E.M. Diniz, C.W.A. Paschoal,