Patent ID: 9075940
Filing Date: 2015-07-07
Classification: G06F,G16C

Abstract:
1. A computerized simulation method for evaluating dispersion of fillers in a high polymer material, comprising a filler model defining step in which filler models of the fillers are defined, wherein each of the filler models represents filler particles, a polymer model defining step in which polymer models of the high polymer material are defined, wherein each of the polymer models represents polymer particles, a condition setting step in which simulation conditions are set, a simulation step in which a molecular dynamics calculation is made for the polymer models and the filler models placed in a virtual space, and an evaluation step in which the dispersion of the filler models is evaluated from data obtained in the simulation step by the molecular dynamics calculation, wherein the filler particles of each of the filler models are a single center filler particle and at least four surface filler particles of which centers are positioned on a spherical surface of which center coincides with the center of the center filler particle, between the center filler particle and the surface filler particles and also between the surface filler particles, equilibrium lengths are respectively defined, and the simulation step includes a link step in which the filler particles, which are approached to less than a predetermined between-particle distance to the polymer particles, are linked to the polymer particles under such conditions that the polymer particles can be linked to only the surface filler particles.