Probing the Stress Reduction Mechanism of Diamond-Like Carbon Films by Incorporating Ti, Cr, or W Carbide-Forming Metals: Ab Initio Molecular Dynamics Simulation

2015 ◽  
Vol 119 (11) ◽  
pp. 6086-6093 ◽  
Author(s):  
Xiaowei Li ◽  
Peiling Ke ◽  
Aiying Wang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Stress Reduction ◽  
Carbon Films ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Diamond Like Carbon ◽  
Reduction Mechanism

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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