Please use this identifier to cite or link to this item:
Title: Atomic structural evolution of pressure-induced amorphization processes in β-cristobalite
Authors: Zhang, X. 
Lam, C.O.
Ong, C.K. 
Keywords: A. amorphous materials
C. high pressure
D. phase transitions
Issue Date: Feb-1996
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.
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
ISSN: 00223697
DOI: 10.1016/0022-3697(95)00220-0
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

Page view(s)

checked on Jun 8, 2023

Google ScholarTM



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.