An effective bead-spring model for polymer simulation

作者：Liu Bin^*; Wang Jizeng; Fan Xiaojun; Kong Yong; Gao Huajian

来源：Journal of Computational Physics, 2008, 227(5): 2794-2807.

DOI：10.1016/j.jcp.2007.11.012

• bead-spring model
• bead-rod model
• polymer dynamics
• Brownian dynamic simulations
• flexible polymer
• freely jointed chain model

An effective bead-spring model combining the advantages of large time steps of traditional bead-rod models and computational rigor of traditional bead-spring models is proposed to simulate the dynamic behaviors of flexible polymer chains with arbitrary longitudinal stiffness. The proposed model can be used to simulate many types of polymer chains or networks with different chain elasticity via a unified integration scheme with reasonably large time steps.

• 出版日期2008-2-20
• 单位清华大学