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Study of spatial correlations in a supercooled molecular system

Author
Palomar, R.; Sese, G.
Type of activity
Journal article
Journal
Journal of chemical physics
Date of publication
2008-08
Volume
129
Number
6
First page
45051
Last page
45059
DOI
https://doi.org/10.1063/1.2965878 Open in new window
URL
http://aip.scitation.org/doi/10.1063/1.2965878 Open in new window
Abstract
Spatial heterogeneities have been investigated in a supercooled system composed of diatomic molecules with an associated dipole moment by using the molecular dynamics simulation technique. Pair distribution functions of molecules with different mobilities have been evaluated, and it has been found that molecules belonging to the same dynamic domain are spatially correlated. Molecules with extremely large mobilities form larger clusters than those resulting from random statistics. These clusters ...
Group of research
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants