Ab initio molecular dynamics simulations on structural change of supercooled liquid Si at different temperatures from 1700 to 1100K

2011 ◽  
Vol 406 (21) ◽  
pp. 3991-3996 ◽  
Author(s):  
Yubing Wang ◽  
Gang Zhao ◽  
Changsong Liu ◽  
Zhengang Zhu
Keyword(s):  
Molecular Dynamics ◽  
Structural Change ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Supercooled Liquid ◽  
Ab Initio Molecular Dynamics ◽  
Different Temperatures ◽  
Dynamics Simulations

scholarly journals Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations

2020 ◽  
Vol 22 (17) ◽  
pp. 9759-9766
Author(s):  
Chong Qiao ◽  
Y. R. Guo ◽  
Songyou Wang ◽  
Yu Jia ◽  
Cai-Zhuang Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Bond Angle ◽  
Supercooled Liquid ◽  
Range Order ◽  
Ab Initio Molecular Dynamics ◽  
Medium Range Order ◽  
Medium Range ◽  
Dynamics Simulations

The disordered clusters in Ge3Sb2Te6 change to ordered octahedrons by adjustment of the bond-angle relationship as the temperature decreases.

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