Microscopic dynamics of molecular liquids and glasses: Role of orientations and translation-rotation coupling

T. Theenhaus, R. Schilling, A. Latz, and M. Letz
Phys. Rev. E 64, 051505 – Published 22 October 2001
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Abstract

We investigate the dynamics of a fluid of dipolar hard spheres in its liquid and glassy phases, with emphasis on the microscopic time or frequency regime. This system shows rather different glass transition scenarios related to its rich equilibrium behavior, which ranges from a simple hard sphere fluid to long range ferroelectric orientational order. In the liquid phase close to the ideal glass transition line and in the glassy regime a medium range orientational order occurs leading to a softening of an orientational mode. To investigate the role of this mode we use the molecular mode-coupling equations to calculate the spectra φlm(q,ω) and χlm(q,ω). In the center of mass spectra φ00(q,ω) and χ00(q,ω) we found, besides a high frequency peak at ωhf, a peak at ωop, about one decade below ωhf. ωop has almost no q dependence and exhibits an “isotope” effect ωopI1/2, with I the moment of inertia. We give evidence that the existence of this peak is related to the occurrence of medium range orientational order. It is shown that some of these features also exist for schematic mode coupling models.

  • Received 21 May 2001

DOI:https://doi.org/10.1103/PhysRevE.64.051505

©2001 American Physical Society

Authors & Affiliations

T. Theenhaus, R. Schilling, A. Latz*, and M. Letz

  • Institut für Physik, Johannes Gutenberg-Universität, Staudinger Weg 7, D-55099 Mainz, Germany

  • *Present address: Institut für Physik, Reichenhainer Strasse 70, TU-Chemnitz, D-09107 Chemnitz, Germany.
  • Present address: Schott Glas, Research and Developement, Hattenbergstrasse 10, 55014 Mainz, Germany.

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Vol. 64, Iss. 5 — November 2001

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