Molecular dynamics of homogeneous nucleation in the vapor phase. I. Lennard-Jones fluid

1998 ◽  
Vol 109 (19) ◽  
pp. 8451-8462 ◽  
Author(s):  
Kenji Yasuoka ◽  
Mitsuhiro Matsumoto
Keyword(s):  
Molecular Dynamics ◽  
Phase I ◽  
Vapor Phase ◽  
Homogeneous Nucleation ◽  
Lennard Jones

Molecular Dynamics Simulation of Homogeneous Nucleation in a Lennard Jones Liquid

2008 ◽  
Author(s):  
Aneet D. Narendra ◽  
Abhijit Mukherjee
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Molecular Dynamics Simulation ◽  
Time Scale ◽  
Homogeneous Nucleation ◽  
Life Time ◽  
Dynamics Simulation ◽  
Lennard Jones ◽  
Different Temperatures ◽  
Laboratory Time

Examination of metastable states of fluids provides important information pertinent to cavitation and homogeneous nucleation. Homogeneous nucleation, in particular, is an important topic of research. Molecular Dynamics simulation is a well-endorsed method to simulate metastabilitites, as they are limited to mesoscopic scales of length and time and this life-time is essentially zero on a laboratory time scale. In the present study, a molecular dynamics code has been used in conjunction with MOLDY to investigate phase change in a Lennard-Jones liquid. The Lennard-Jones atoms were subjected to different temperatures at various number densities and the pressure was recorded for each case. The appearance of a change of phase is characterized by the formation of clusters or formation of voids as described by the radial distribution function.

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