| 摘要 |
<p>Disclosed is a simulation method for a macromolecular material and a filler which comprises: defining a polymer model of a macromolecular chain of a macromolecular material and a filler model of a filler; and performing a molecular dynamics calculation using the polymer models and the filler model disposed in a space to calculate the thickness of an interface layer between the filler and the macromolecular material. In order to calculate the thickness, the space is divided into a plurality of regions bounded by boundary surfaces; relaxation moduli of the regions are calculated; and the thickness of the interface layer is calculated based on a variation of the relaxation moduli of the regions.</p> |
