Dynamics of a supercooled lennard-jones system: qualitative and quantitative tests of mode-coupling theory

摘要

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 thatthe ideal verison 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 struture factors, as determiend 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.