Simulation of Morphologies and Mechanical Properties of A/B Polymer Blend Film

Abstract

Abstract: The effects of blend composition and micro-phase structure on the mechanical behavior of A/B polymer blend film are studied by coupling the Monte Carlo(MC) simulation of morphology with the lattice spring model(LSM) of micro mechanics of materials.The MC method with bond length fluctuation and cavity diffusion algorithm on cubic lattice is adopted to simulate the micro-phase structure of A/B polymer blend.The information of morphology and structure is then inputted to the LSM composed of a three-dimensional network of springs to obtain the mechanical properties of polymer blend film.Simulated results show that the mechanical response is mainly affected by the density and the composition of polymer blend film through the morphology transition.When a force is applied on the outer boundary of polymer blend film, the vicinity of the inner cavities experiences higher stresses and strains responsible for the onset of crack propagation and the premature failure of the entire system.

Key words: polymer blend film, mechanical behavior, Monte Carlo, lattice spring model

摘要： The effects of blend composition and micro-phase structure on the mechanical behavior of A/B polymer blend film are studied by coupling the Monte Carlo(MC) simulation of morphology with the lattice spring model(LSM) of micro mechanics of materials.The MC method with bond length fluctuation and cavity diffusion algorithm on cubic lattice is adopted to simulate the micro-phase structure of A/B polymer blend.The information of morphology and structure is then inputted to the LSM composed of a three-dimensional network of springs to obtain the mechanical properties of polymer blend film.Simulated results show that the mechanical response is mainly affected by the density and the composition of polymer blend film through the morphology transition.When a force is applied on the outer boundary of polymer blend film, the vicinity of the inner cavities experiences higher stresses and strains responsible for the onset of crack propagation and the premature failure of the entire system.

关键词: polymer blend film, mechanical behavior, Monte Carlo, lattice spring model

ZHAO Xuezhe, DENG Shengwei, HUANG Yongmin, LIU Honglai, HU Ying. Simulation of Morphologies and Mechanical Properties of A/B Polymer Blend Film [J]. , 2011, 19(4): 549-557.

赵学哲, 邓声威, 黄永民, 刘洪来, 胡英. Simulation of Morphologies and Mechanical Properties of A/B Polymer Blend Film [J]. , 2011, 19(4): 549-557.

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