Ab initio molecular dynamics simulation of the atom packing and density of Al-Ni amorphous alloys

2010 ◽  
Vol 53 (12) ◽  
pp. 3175-3182 ◽  
Author(s):  
ChunYan Yu ◽  
XiDong Hui ◽  
XiaoHua Chen ◽  
XingJun Liu ◽  
DeYe Lin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Amorphous Alloys ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics

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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