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|Title:||Atomic structural evolution of pressure-induced amorphization processes in β-cristobalite|
|Authors:||Zhang, X. |
|Keywords:||A. amorphous materials|
C. high pressure
D. phase transitions
|Citation:||Zhang, X., Lam, C.O., Ong, C.K. (1996-02). Atomic structural evolution of pressure-induced amorphization processes in β-cristobalite. Journal of Physics and Chemistry of Solids 57 (2) : 237-242. ScholarBank@NUS Repository. https://doi.org/10.1016/0022-3697(95)00220-0|
|Abstract:||The changes in the atomic structure of β-cristobalite before and after the onset of the amorphization are examined in detail by analysing the Molecular Dynamics trajectories of Si and O ions. It is found that long Si-O bonds with bond lengths of 1.9-2.5 Å emerge after the onset of amorphization. Most of oxygen ions bonded to Si with long Si-O bonds come from neighbouring SiO4 tetrahedrals. The breakage of Si-O bonds is found to occur frequently during the amorphization process, with the majority of the broken bonds being long Si-O bonds. Our results show that bond breaking and relatively large atomic displacements play important roles in the pressure-induced amorphization of β-cristobalite and that the structural changes in the material during amorphization involve both short and inter-medium range orders.|
|Source Title:||Journal of Physics and Chemistry of Solids|
|Appears in Collections:||Staff Publications|
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