Development of meso-scale simulator for polymeric materials

Abstract

We have developed an integrated simulation system for soft materials named OCTA. OCTA is developed for the meso-scale simulation, which is important to study the material properties such as rheological properties. OCTA consists of four simulation programs (COGNAC, PASTA, SUSHI, MUFFIN) and a simulation platform (GOURMET), and is designed for collaborative operations of multi programs. Various application studies using OCTA are conducted, e.g. rheological properties of polymer melt, structure and dynamics of polymer melt confined between nano-scale gap, interfacial strength of polymer blends, phase separation of polymer blend under shear flow, and the brief results are introduced in this paper.