Influence of Temperature and Anisotropic Pressure on the Phase Transitions in α-Cristobalite
The role of temperature and anisotropy of the applied load in the pressure–induced transformations of α -cristobalite is investigated by means of first principles molecular dynamics combined with the metadynamics algorithm for the study of solid-solid phase transitions. We reproduce the transition t...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
The American Physical Society
2008
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| Online Access: | http://hdl.handle.net/20.500.11937/4233 |