Abstract
Yuto Kimura: „Comparison of the Mode-coupling theory to Molecular-dynamics Simulations of a Binary Mixture near the Glass Transition”
Tohoku University, Sendai, Japan
In the present study, numerical solutions of the mode-coupling theory (MCT) of a binary mixture are compared to the molecular-dynamics (MD) simulations. Partial structure factors that were calculated by MD simulations were used as inputs of MCT. We take a standpoint of mean-field theory, which states that the state of the system should be determined by the value of long-time self-diffusion coefficient. From the comparison of mean square displacement, deviations are shown in β-stage, and its reason will be discussed from a statistical mechanical point of view.