Simulation Utilities for Soft and Hard Interfaces in Open Computational Tool for Advanced Material Technology

抄録

The features of OCTA (Open Computational Tool for Advanced material technology) are explained. OCTA has been developed as a simulation engine platform and several types of simulation engines especially for polymeric materials have been implemented on OCTA. The self-consistent field (SCF) theory of polymers is also explained. This theory is implemented in one of OCTA' s simulation engine named SUSHI (simulation utilities for soft and hard interfaces). Deformations of a core shell type droplet on a wall are demonstrated with SUSHI. The wetting phenomena of the droplet on the wall are confirmed.