Dissipative Particle Dynamics simulation of self-assembly of thin film of diblock copolymers and nanoparticles under soft confinement.
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Self-assembly behavior of thin film of diblock copolymers and nanoparticles studied using DPD simulation. Two types of diblock copolymer are considered: coil-coil and rod-coil. Nanoparticles are modeled from fcc with a shape close to the sphere. To model the soft confinement, two different repulsive beads are introduced on the top and bottom of thin film of diblock copolymers and nanoparticles. Self-assembled structure is lamellar phase in the case of coil-coil polymer and smectic lamellar phase in the case of rod-coil polymer by using one bead fraction value as 0.4~0.6. We found the positions of nanoparticles within the thin film are changed as functions of nanoparticles size and diblock copolymer types. We also found relative interaction between nanoparticle and diblock copolymer affects the position of nanoparticles within the thin film. The significance of this study is to open the possibility of like solving the system like air-liquid interface problems using soft confinement.