Nonergodicity parameters for a molecular liquid: A comparison between mode coupling theory and simulation
Disordered Systems and Neural Networks
2009-10-31 v1 Statistical Mechanics
Abstract
We apply the mode coupling theory (MCT) which was recently worked out for molecular liquids to a liquid of diatomic, rigid molecules. Using the static correlators from a molecular dynamics simulation, we have solved the MCT-equations for the nonergodicity parameters within two approcimation schemes. We find that the critical temperature from our calculation underestimates the simulation result. The q-dependence of the critical nonergodicity parameter is well reproduced.
Cite
@article{arxiv.cond-mat/9806124,
title = {Nonergodicity parameters for a molecular liquid: A comparison between mode coupling theory and simulation},
author = {Christoph Theis and Rolf Schilling},
journal= {arXiv preprint arXiv:cond-mat/9806124},
year = {2009}
}
Comments
8 pages of Latex, 10 figures, 1 table