A Molecular Dynamics Simulation of a Supercooled System with 3,200 Model Polymers

摘要

A model system is studied via Molecular Dynamics (MD) simulation. The system consists of 3,200 molecules placed in the rigid cubic cell with the periodic boundary condition. A molecule has 100 united atoms which are assumed the CH2. The molecule has the bonds between the united atoms nearby, the bends to the next bond, and the torsional potential. The motions of the united atoms in the model system have at least three time stages before the time region of the system relaxation. The first stage is marked by the ballistic motion. The second stage is marked by the motion in some cage. The third stage is marked by the collective motion with the surrounding united atoms. The fourth stage is marked by the elementary process which causes the system relaxation for long time.