Molecular dynamics investigation of homogeneous nucleation for inverse power potential liquids and for a modified Lennard-Jones liquid

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Abstract
The influence of the harshness of the repulsive part of the pair potential on the onset of the process of homogeneous nucleation of the crystal from the supercooled liquid has been investigated using the computer simulation method of molecular dynamics. An inverse twelfth power and an inverse seventh power system were studied along with a modified Lennard-Jones system. We find that the times required for both the onset and the completion of the homogeneous nucleation process increase significantly with the harshness of the repulsion. Local orientational order in supercooled liquids was also examined. Values of the orientational order parameter Q6 intermediate between those of a normal liquid and of a crystal were found to be associated only with amorphous solid states.

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