Micromechanical simulation of molecular architecture and orientation effect on deformation and fracture of multiblock copolymers |
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Authors: | Shengwei Deng Yongmin Huang Cheng Lian Shouhong Xu Honglai Liu Shaoliang Lin |
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Affiliation: | 1. State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China;2. School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China |
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Abstract: | Multiblock copolymers containing a large number of blocks have distinct microstructures and mechanical responses that are different from that of conventional diblock and triblock copolymers. A combined simulation method that utilized MesoDyn for morphologies and probabilistic lattice spring model (LSM) for mechanical properties was adopted in this work. Simulation results show that tensile strength increases dramatically with an increase in the number of blocks within “hard-soft” multiblock copolymers. This phenomenon can be described by the occurrence of bridging and looping chain conformations in experiment. One-dimensional lamellae were built to provide an ideal morphology for studying the influence of lamellar orientation on multiblock copolymer mechanical properties. During tensile tests different failure processes were observed with two kinds of interface strength that corresponded to a difference in chain structures (diblock, triblock or multiblock copolymers). These studies provide an efficient method for correlating the complex morphologies to the mechanical response of multiblock copolymers. |
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Keywords: | Multiblock copolymers Mechanical properties Lattice spring model |
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