Entangled polymer systems

被引：36

作者：

Kremer, K

Sukumaran, SK

Everaers, R

Grest, GS

机构：

[1] Max Planck Inst Polymer Res, D-55021 Mainz, Germany

[2] Max Planck Inst Phys Komplexer Syst, Dresden, Germany

[3] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

COMPUTER PHYSICS COMMUNICATIONS | 2005年 / 169卷 / 1-3期

关键词：

molecular dynamics; polymers; reptation; tube model; primitive path analysis; elastic modulus; structure property relations;

D O I：

10.1016/j.cpc.2005.03.019

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Topological constraints, referred to as entanglements in the literature, dominate the viscoelastic behavior of high molecular weight polymeric liquids. To give a microscopic foundation of the phenomenological tube models which successfully describe this behavior, we have recently introduced a method for identifying the so-called primitive path mesh that characterizes the microscopic topological state of (computer generated) conformations of long-chain polymer networks, melts and solutions. Here we give a short account of this approach and discuss some applications. (c) 2005 Elsevier B.V All rights reserved.

引用

页码：75 / 81

页数：7

共 34 条

[1] Combined coarse-grained and atomistic simulation of liquid bisphenol A-polycarbonate: Liquid packing and intramolecular structure [J].