Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7901278 | Journal of Non-Crystalline Solids | 2015 | 5 Pages |
Abstract
Molecular-dynamics simulations of a liquid of short linear molecules have been performed to investigate the correlation between the particle dynamics in the cage of the neighbors and the local geometry. The latter is characterized in terms of the size and the asphericity of the Voronoi polyhedra. The correlation is found to be poor. In particular, in spite of the different Voronoi volumes around the end and the inner monomers of a molecule, all the monomers exhibit coinciding displacement distribution when they are caged (as well as at longer times during the structural relaxation). It is concluded that the fast dynamics during the cage trapping is a non-local collective process involving monomers beyond the nearest neighbors.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
S. Bernini, F. Puosi, D. Leporini,