Title: Brief reviews of combined simulations of polymer nano composite systems by using LAMMPS

Presenter: Katsumi Hagita

Affiliation: National Defense Academy of JAPAN

Abstract: LAMMPS is powerful tool for simulational study with coarse-grained Molecular Dynamics (MD) of Kremer-Grest model. As a challenge of multiscale / multiphysics simulation, we extended applications of this type simulation method from polymer melts to polymer (rubber) nano-composites. We presented brief review of simulational studies of polymer rubber material filled with nano particles, which are modeled from Ultra X-ray Small Angle Scattering data and co-polymer material which modeled from SCF computation by using OCTA/SUSHI, OCTA/COGNAC, and LAMMPS.