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- W2883502743 abstract "The string method is introduced to the self-consistent mean-field theory for rod–coil diblock copolymers to investigate the phase transition kinetics. The equal arc length parametrization used in our improved string method is constrained on both the density and orientation order parameters to obtain accurate and stable minimum energy pathways (MEP). Focusing on different single networks formed by rods as the target structures, we developed an inverse design strategy of kinetic pathways. By designing distinct initial structures (lamellae or cylinders) with specific symmetry matching the target structure as the two ends of the string, we calculated the MEP and analyzed the effects of chain rigidity on the phase transition kinetics. The results indicate that the reordering transition between lamellae belonging to the same crystallographic plane group can induce the formation of metastable single networks. The shape and arrangement of the rigid rods will influence the epitaxial phase transition. The long-term stability of the target structures can be regulated by tailoring the block composition as well as the geometrical asymmetry between rigid and flexible segments, which may guide the experiments to fabricate long-lived single networks." @default.
- W2883502743 created "2018-08-03" @default.
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- W2883502743 date "2018-07-24" @default.
- W2883502743 modified "2023-10-17" @default.
- W2883502743 title "Construction of Rod-Forming Single Network Mesophases in Rod–Coil Diblock Copolymers via Inversely Designed Phase Transition Pathways" @default.
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- W2883502743 doi "https://doi.org/10.1021/acs.macromol.8b00773" @default.
- W2883502743 hasPublicationYear "2018" @default.
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