Physical property value calculating device of polymer, physical property value calculating method and computer program.

摘要

PROBLEM TO BE SOLVED: To provide a polymer model for molecular dynamics calculation capable of reproducing a plateau region by the molecular dynamics calculation even when the number of particles in a model is small.SOLUTION: The polymer model for molecular dynamics calculation is computer readable data and includes a plurality of molecular chains 2. Each molecular chain 2 includes a plurality of rods 20 having a plurality of particles 21 that are separate from each other by a balance distance at a predetermined potential and are arranged at a constant interval on one straight line. Each rod 20 is defined as a rigid body in which the positional relationship between the particles 21 constituting the rod 20 is fixed, and the ends of the rod 20 are bonded together at the predetermined potential.