Influence of Temperature and Anisotropic Pressure on the Phase Transitions in α-Cristobalite

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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...

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Bibliographic Details
Main Authors:	Donadio, D., Martoňák, R., Raiteri, Paolo, Parrinello, M.
Format:	Journal Article
Published:	The American Physical Society 2008
Online Access:	http://hdl.handle.net/20.500.11937/4233

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