Quartz amorphization: A dynamical instability
作者:
G.W. Watson,
S.C. Parker,
期刊:
Philosophical Magazine Letters
(Taylor Available online 1995)
卷期:
Volume 71,
issue 1
页码: 59-64
ISSN:0950-0839
年代: 1995
DOI:10.1080/09500839508240514
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The results of atomistic simulations based on the Born model of solids show that the crystalline-to-amorphous phase transition in α-quartz is the result of a dynamical instability. This work illustrates the potential of atomistic simulation to identify the atomic mechanisms for phase transformations. On applying high pressure to α-quartz, an acoustic vibrational mode became unstable, indicating supercell formation of size 3 × 3 × 1. Further increase in pressure resulted in the collapse of the crystalline structure to an amorphous solid displaying variations in bond length, bond angle and coordination number.
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