English

The role of the attractive forces in a supercooled liquid

Soft Condensed Matter 2021-03-17 v1 Other Condensed Matter

Abstract

Molecular Dynamics simulations of crystallization in a supercooled liquid of Lennard-Jones particles with different range of attractions shows that the inclusion of the attractive forces from the first, second and third coordination shell increases the trend to crystallize systematic. The bond-order Q6Q_6 in the supercooled liquid is heterogeneously distributed with clusters of particles with relative high bond-order for a supercooled liquid, and a systematic increase of the extent of heterogeneity with increasing range of attractions. The onset of crystallization appears in such a cluster, which together explains the attractive forces influence on crystallization. The mean square displacement and self-diffusion constant exhibit the same dependence on the range of attractions in the dynamics and shows, that the attractive forces and the range of the forces plays an important role for bond-ordering, diffusion and for crystallization.

Keywords

Cite

@article{arxiv.2102.02838,
  title  = {The role of the attractive forces in a supercooled liquid},
  author = {Søren Toxvaerd},
  journal= {arXiv preprint arXiv:2102.02838},
  year   = {2021}
}

Comments

10 pages, 6 figures