Ab initio molecular dynamics simulation of binary Cu64Zr36 bulk metallic glass: Validation of the cluster-plus-glue-atom model

2011 ◽  
Vol 109 (12) ◽  
pp. 123520 ◽  
Author(s):  
Hua Tian ◽  
Chong Zhang ◽  
Lu Wang ◽  
JiJun Zhao ◽  
Chuang Dong ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Metallic Glass ◽  
Ab Initio ◽  
Bulk Metallic Glass ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Atom Model

scholarly journals Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

2003 ◽  
Vol 118 (8) ◽  
pp. 3639-3645 ◽  
Author(s):  
Markus Kreitmeir ◽  
Helmut Bertagnolli ◽  
Jens Jørgen Mortensen ◽  
Michele Parrinello
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Hydrogen Fluoride ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics
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