TESTING MODE-COUPLING THEORY AND INVESTIGATING THE DEPENDENCE OF T_g AND OTHER BULK PROPERTIES ON THE COOLING RATE FOR A BINARY LENNARD-JONES SYSTEM

摘要

We present some of the results of a molecular dynamics computer simulation of a binary Lennard-Jones system we performed to test certain predictions of mode-coupling theory (MCT). By investigating the time dependence of the intermediate scattering function, the temperature dependence of the α-relaxation time of this correlation function and the temperature dependence of the diffusion constant, we show that at low temperatures MCT gives a good description of the dynamical behavior of this system.In the second part we investigate the cooling rate dependence of the glass transition temperature and the density at zero temperature of the same model. We show that even for this simple system this dependency is very similar to the one found in experiments.