DPD simulation of multilayer self-assembly of block-copolymer


Hejin Huang


Hejin Huang, Prof. Alfredo Alexander-Katz

Author Affiliation: 

Massachusetts Institute of Technology


Self-assembly of block copolymers provides a powerful tool for patterning at small length scale. The chemical incompatibility of the two blocks, which are covalently linked together, leads to microphase separation upon annealing. Depending on the volume ratio of the two block, different morphologies, such as spheres, cylinders and lamellae structure can be obtained. Most researchers use self-consistent field theory (SCFT) as the simulation tool to predict self-assembled structure. Recently, a particle-based simulation method - dissipative particle dynamics (DPD) has been implemented to provide different insights into the self-assembly process of BCP. Here we use DPD to investigate the structural information propagation from layer to layer in a multilayer film. The self-assembly process of the first layer is directed by either graphoepitaxy or chemoepitaxy. After that, by depositing a second BCP layer on top, the structural information of the first layer will propagate and affect the structure of the second layer. By carefully designing the structure, we could achieve different bilayer structure such as dots-on-cylinders, parallel cylinders and nanomeshes.