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

J Chem Phys. 2014 Nov 21;141(19):194507. doi: 10.1063/1.4901526.

Abstract

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.