| 초록 |
Various microstructures are obtained by self-assembly of block copolymers according to difference of compositional fractions and repulsive interactions among different types of beads. The inhomogeneity of block copolymers can be studied by molecular dynamics. However, preparing initial configurations of various self-assemble structures directly by molecular dynamics needs very long computational time due to topological constraints. Furthermore, the manual preparation often becomes a complicating and time consuming job even for the simplest structure, a lamellar phase not to mention 3D bicontinuous cubic phases like a gyroid phase. In this paper, the difficulty is overcome by using a soft potential which makes the system reach a self-assembled state quickly. Various equilibrated phase structures including S(spherical), H(hexagonal), G(gyroid) and L(Lamellar) phases are obtained by this approach. |
