6533b826fe1ef96bd128509b
RESEARCH PRODUCT
Dynamics of a Supercooled Lennard-Jones System: Qualitative and Quantitative Tests of Mode-Coupling Theory
Markus NaurothWalter Kobsubject
Molecular dynamicsMaterials scienceMode couplingExponentBinary numberIdeal (order theory)Statistical physicsGlass transitionSupercoolingFick's laws of diffusiondescription
We present the results of a molecular dynamics computer simulation of a supercooled binary Lennard-Jones mixture. By investigating the temperature dependence of the diffusion constant and of the intermediate scattering function, we show that the ideal version of the mode-coupling theory of the glass transition is able to give a good qualitative description of the dynamics of this system. Using the partial structure factors, as determined from the simulation, as input, we solve the mode-coupling equations in the long time limit. From the comparison of the prediction of the theory for the critical temperature, the exponent parameter, the wave-vector dependence of the nonergodicity parameters and the critical amplitudes with the results of the simulation, we conclude that the theory is also able to predict correctly the non-universal properties of the dynamics of a supercooled simple liquid.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1996-01-01 | MRS Proceedings |