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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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