A multi-scale approach of amorphous polymer from coarse grain to finite element

作者：Bian Jianjun; Wang Gangfeng^*

来源：Computational Materials Science, 2012, 57: 8-13.

DOI：10.1016/j.commatsci.2011.03.043

• Polymer
• Multi-scale method
• Coarse grain
• Finite element
• Fracture

In the present paper, a multi-scale method from coarse grain to finite element is developed to simulate the mechanical behavior of amorphous polymer. In the coarse grain scale, the amorphous cell method is adopted to generate the configuration of two-dimensional random polymer. Based on the analysis of a main cell, the displacement mapping relation between finite element nodes and coarse grains is formulated, through which the handshaking region between coarse grains and finite elements is dealt with. The examinations of several typical deformation modes display the new developed multi-scale method can seamlessly transmit deformation across different length scales. As an example, the fracture of polymer is investigated by the multi-scale method, and compared with that simulated by fully molecular simulation. It is shown that the new developed multi-scale method provides a powerful tool to investigate various mechanical behaviors of amorphous polymer.

• 出版日期2012-5
• 单位西安交通大学