Accurate determination of thermodynamic properties for liquid alloys based on ab initio molecular dynamics simulation

2013 ◽  
Vol 360 ◽  
pp. 44-53 ◽  
Author(s):  
Jiajia Han ◽  
William Yi Wang ◽  
Cuiping Wang ◽  
Yi Wang ◽  
Xingjun Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Thermodynamic Properties ◽  
Ab Initio ◽  
Accurate Determination ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Liquid Alloys

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
Sign in / Sign up

Export Citation Format

Share Document