Nonergodicity parameters for a molecular liquid: A comparison between mode coupling theory and simulation
arXiv:cond-mat/9806124 · doi:10.1016/S0022-3093(98)00633-4
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.
8 pages of Latex, 10 figures, 1 table
References in corpus (2)
Cited by in corpus (11)
- Idealized glass transitions for a system of dumbbell molecules
- Molecular mode-coupling theory for supercooled liquids: Application to water
- Mode-coupling theory of the glass transition for confined fluids
- A mode-coupling theory for the glassy dynamics of a diatomic probe molecule immersed in a simple liquid
- Reorientational relaxation of a linear probe molecule in a simple glassy liquid
- Dynamics in a supercooled molecular liquid: Theory and Simulations
- Structural relaxation in supercooled orthoterphenyl
- Molecular mode-coupling theory applied to a liquid of diatomic molecules
- Microscopic dynamics of molecular liquids and glasses: Role of orientations and translation-rotation coupling
- Glassy behavior of molecular crystals: A comparison between results from MD-simulation and mode coupling theory
- Random Diffusion Model with Structure Corrections