| Biased hooking for primitive chain network simulations of block copolymers (2008) | |||||||||||
Abstract | |||||||||||
| Primitive chain network model for block copolymers is used here to simulate molecular dynamics in the entangled state with acceptable computational cost. It was found that i) the hooking procedure rearranging the topology of the entangled network is critical for the equilibrium structure of the system, and ii) simulations accounting for the different chemistry, i.e., with a biased hooking probability based on interaction parameter ${\chi}$ for selection of the hooked partner, generates a reasonable phase diagram. | |||||||||||
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