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Dynamics in a supercooled molecular liquid: Theory and Simulations | | A. Rinaldi
; F. Sciortino
; P. Tartaglia
; | | Date: |
21 Dec 2000 | | Subject: | Soft Condensed Matter; Disordered Systems and Neural Networks | cond-mat.soft cond-mat.dis-nn | | Abstract: | We report extensive simulations of liquid supercooled states for a simple three-sites molecular model, introduced by Lewis and Wahnstr"om [L. J. Lewis and G. Wahnstr"om, Phys. Rev. E 50, 3865 (1994)] to mimic the behavior of ortho-terphenyl. The large system size and the long simulation length allow to calculate very precisely --- in a large q-vector range --- self and collective correlation functions, providing a clean and simple reference model for theoretical descriptions of molecular liquids in supercooled states. The time and wavevector dependence of the site-site correlation functions are compared with detailed predictions based on ideal mode-coupling theory, neglecting the molecular constraints. Except for the wavevector region where the dynamics is controlled by the center of mass (around 9 nm-1), the theoretical predictions compare very well with the simulation data. ~ | | Source: | arXiv, cond-mat/0012415 | | Other source: | [GID 291594] pmid11415083 | | Services: | Forum | Review | PDF | Favorites | |
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