Study of spatial correlations in a supercooled molecular system

The Journal of Chemical Physics
Ricardo Palomar, Gemma Sesé

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 are stringlike shaped. The mean cluster size displays a maximum at times between the ballistic and the diffusive regime, approximately at the end of the beta-relaxation zone. The value of this maximum increases upon cooling the system. An analogous profile has been observed for the characteristic cluster length when plotted against time. Agreement with Adam-Gibbs predictions has been encountered when considering these clusters as the basic dynamic units of the theory. For the extremely slow molecules, a cluster distribution has also been encountered. These clusters are smaller than the ones composed by fast molecules; they do not have a quasilinear geometry and no maximum is observed for their mean cluster size.

References

Oct 14, 2000·Annual Review of Physical Chemistry·M D Ediger
Nov 23, 2000·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·B Doliwa, A Heuer
Dec 29, 2000·Nature·E V Russell, N E Israeloff
Dec 12, 2001·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Y GebremichaelS C Glotzer
Apr 24, 2002·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·C DonatiS J Plimpton
Mar 14, 2003·Physical Review Letters·Nicolas GiovambattistaH Eugene Stanley
Jun 1, 2004·Physical Review Letters·Stephen WhitelamJuan P Garrahan
Jul 13, 2004·Physical Review Letters·Michael Vogel, Sharon C Glotzer
Jul 23, 2004·The Journal of Chemical Physics·Y GebremichaelS C Glotzer
Feb 9, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Michael Vogel, Sharon C Glotzer
May 5, 2005·Proceedings of the National Academy of Sciences of the United States of America·Hans C Andersen
May 21, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Cristina ToninelliJean-Philippe Bouchaud
Jul 21, 2006·The Journal of Physical Chemistry. B·Ricardo Palomar, Gemma Sesé
Mar 16, 2007·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Ricardo Palomar, Gemma Sesé

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Citations

Sep 25, 2012·The Journal of Chemical Physics·Gemma SeséRicardo Palomar
Aug 7, 2010·The Journal of Chemical Physics·Ricardo Palomar, Gemma Sesé
Mar 3, 2018·The Journal of Chemical Physics·Ricardo Palomar, Gemma Sesé
Nov 23, 2021·Physical Chemistry Chemical Physics : PCCP·Ricardo Palomar, Gemma Sesé

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