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Observable-dependence of the effective temperature in off-equilibrium diatomic molecular liquids

Academic Article
Publication Date:
2014
abstract:
We discuss the observable-dependence of the effective temperature T-eff, defined via the fluctuation-dissipation relation, of an out-of-equilibrium system composed by homonuclear dumbbell molecules. T-eff is calculated by evaluating the fluctuation and the response for two observables associated, respectively, to translational and to rotational degrees of freedom, following a sudden temperature quench. We repeat our calculations for different dumbbell elongations zeta. At high elongations (zeta > 0.4), we find the same T-eff for the two observables. At low elongations (zeta <= 0.4), only for very deep quenches T-eff coincides. The observable-dependence of T-eff for low elongations and shallow quenches stresses the importance of a strong coupling between orientational and translational variables for a consistent definition of the effective temperature in glassy systems. (c) 2014 AIP Publishing LLC.
Iris type:
01.01 Articolo in rivista
Keywords:
Monte Carlo methods; correlation functions; molecular fluctuations
List of contributors:
Sciortino, Francesco; Gnan, Nicoletta
Authors of the University:
GNAN NICOLETTA
Handle:
https://iris.cnr.it/handle/20.500.14243/286179
Published in:
THE JOURNAL OF CHEMICAL PHYSICS
Journal
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URL

http://scitation.aip.org/content/aip/journal/jcp/141/19/10.1063/1.4901526
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