Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures.

@article{Coslovich2007UnderstandingFI,
  title={Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures.},
  author={Daniele Coslovich and Giorgio Pastore},
  journal={The Journal of chemical physics},
  year={2007},
  volume={127 12},
  pages={124504}
}
The existence of systematic variations of isobaric fragility in different supercooled Lennard-Jones binary mixtures is revealed by molecular dynamics simulations. The connection between fragility and local structures in the bulk is analyzed by means of a Voronoi construction. It is found that clusters of particles belonging to locally preferred structures… CONTINUE READING