Dynamics of entangled linear polymer melts: A molecular-dynamics simulation

作者：Kurt Kremer, Gary S. Grest · 发表于：The Journal of Chemical Physics · 年份：1990 · DOI：10.1063/1.458541 · 被引用次数：4080 · 研究领域：Rheology and Fluid Dynamics Studies、Protein Structure and Dynamics、Material Dynamics and Properties

We present an extensive molecular-dynamics simulation for a bead spring model of a melt of linear polymers. The number of monomers N covers the range from N=5 to N=400. Since the entanglement length Ne is found to be approximately 35, our chains cover the crossover from the nonentangled to the entangled regime. The Rouse model provides an excellent description for short chains N