A mode-coupling theory for the glassy dynamics of a diatomic probe molecule immersed in a simple liquid

Abstract

Generalizing the mode-coupling theory for ideal liquid-glass transitions, equations of motion are derived for the correlation functions describing the glassy dynamics of a diatomic probe molecule immersed in a simple glass-forming system. The molecule is described in the interaction-site representation and the equations are solved for a dumbbell molecule consisting of two fused hard spheres in a hard-sphere system. The results for the molecule's arrested position in the glass state and the reorientational correlators for angular-momentum index $\ell =1$ and $\ell =2$ near the glass transition are compared with those obtained previously within a theory based on a tensor-density description of the molecule in order to demonstrate that the two approaches yield equivalent results. For strongly hindered reorientational motion, the dipole-relaxation spectra for the $\alpha$-process can be mapped on the dielectric-loss spectra of glycerol if a rescaling is performed according to a suggestion by Dixon et al. [Phys. Rev. Lett. {\bf 65}, 1108 (1990)]. It is demonstrated that the glassy dynamics is independent of the molecule's inertia parameters.

19 pages, 10 figures, Phys. Rev. E, in print

References in corpus (6)

• The evolution of vibrational excitations in glassy systems
• Ideal glass transitions for hard ellipsoids
• Molecular mode-coupling theory for supercooled liquids: Application to water
• Reorientational relaxation of a linear probe molecule in a simple glassy liquid
• The beta-relaxation dynamics of a simple liquid
• Equations of structural relaxation

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• Structural relaxation in a system of dumbbell molecules
• Dynamics in a supercooled liquid of symmetric dumbbells: Reorientational hopping for small molecular elongations
• Structural relaxation in supercooled orthoterphenyl
• The Role of Intramolecular Barriers on the Glass Transition of Polymers: Computer Simulations vs. Mode Coupling Theory
• Single-Particle Dynamics in Dense Granular Fluids under Driving
• Onset of slow dynamics in difluorotetrachloroethane glassy crystal
• Structural relaxation in a supercooled molecular liquid
• Unveiling the anatomy of mode-coupling theory
• Microscopic theory of glassy dynamics and glass transition for molecular crystals
• Vibrational origin of the fast relaxation processes in molecular glass-formers
• Scaling equations for mode-coupling theories with multiple decay channels
• Microscopic Dynamics of Hard Ellipsoids in their Liquid and Glassy Phase