Multiscale Simulation Technology and Software for Soft Matter

Abstract

Soft matter, such as resins and rubber materials, has a multiscale structure. Computer simulation is an effective tool for understanding the mechanism of how the physical properties are exhibited. However, it is necessary to properly use the methods for each scale, from the atomistic to the micrometer scale. The integrated simulation system for soft matter, “J-OCTA” includes several modeling tools and simulation engines to conduct multi scale simulation. Simulation technologies for soft matter are introduced here through the functions of J-OCTA and some case studies, such as glass transition temperature of resins, micro structure and mechanical properties of filler dispersed resins or rubbers, rheological properties of entangled polymers, and morphology and wetting property of droplet on a wall.