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Observable-dependence of the effective temperature in off-equilibrium diatomic molecular liquids
Author(s) -
Andrea Ninarello,
Nicoletta Gnan,
Francesco Sciortino
Publication year - 2014
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4901526
Subject(s) - observable , diatomic molecule , thermodynamics , statistical physics , physics , materials science , molecule , quantum mechanics
We discuss the observable-dependence of the effective temperature Teff, defined via the fluctuation-dissipation relation, of an out-of-equilibrium system composed by homonuclear dumbbell molecules. Teff 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 ζ. At high elongations (ζ > 0.4), we find the same Teff for the two observables. At low elongations (ζ ⩽ 0.4), only for very deep quenches Teff coincides. The observable-dependence of Teff 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.

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