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Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities | | Atreyee Banerjee
; Manoj Kumar Nandi
; Srikanth Sastry
; Sarika Maitra Bhattacharyya
; | | Date: |
13 Apr 2016 | | Abstract: | In this paper, we present a study of supercooled liquids interacting with the
Lennard Jones (LJ) potential and the corresponding purely repulsive
(Weeks-Chandler-Andersen or WCA) potential, over a range of densities and
temperatures, in order to understand the origin of their different dynamics in
spite of their structures being similar. Using the configurational entropy as
the thermodynamic marker via the Adam Gibbs (AG) relation, we show that the
difference in the dynamics of these two systems at low temperatures can be
explained from thermodynamics. At higher densities both the thermodynamical and
dynamical difference between these model systems decrease, which is
quantitatively demonstrated in this paper by calculating different parameters.
The study also reveals the origin of the difference in pair entropy despite the
similarity in the structure. Although the maximum difference in structure is
obtained in the partial radial distribution function (rdf) of the B type of
particles, the rdf of AA pairs and AB pairs give rise to the differences in the
entropy and dynamics. This work supports the observation made in an earlier
study (Phys. Rev. Lett., extbf {113}, 225701, 2014) and shows that they are
generic in nature, independent of density. | | Source: | arXiv, 1604.3674 | | Services: | Forum | Review | PDF | Favorites | |
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