Methods of generating dense relaxed amorphous polymer samples for use in dynamic simulations

摘要: A comparison is made between different methods of generating relaxed dense amorphous systems model linear polymer chains. One them, referred to as phantom chain growth (PCG), has many advantages when compared with self-avoiding random walk procedures. In PCG chains are grown under non-excluded volume conditions such that successive torsion angles in a occur probability which related immediately adjacent only. series experiments on polyethylene-like designed test the effect preparational history and heat treatment relaxation samples reported