Mechanical properties of end-crosslinked entangled polymer networks using sliplink Brownian dynamics simulations
Mechanical properties of end-crosslinked entangled polymer networks using sliplink Brownian dynamics simulations
复制标题
使用滑移布朗动力学模拟的末端交联缠结聚合物网络的机械性能
DOI：
10.1007/s00397-006-0096-0
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发表时间：
2006
期刊：
影响因子：
2.3
通讯作者：
G. Marrucci
中科院分区：
文献类型：
--
作者：
J. Oberdisse;G. Ianniruberto;F. Greco;G. Marrucci
采用多链布朗动力学模拟方法研究了含有交联和滑链（缠结）的聚合物网络的力学性能。我们在连接连续节点（交叉或滑链）的链段水平上进行粗粒度处理，特别注意网络的高斯统计。节点的仿射位移不被施加：它们的位移，以及单体通过滑环的滑动，是由力平衡控制的。给出了单分散链的单轴拉伸应力和单剪切全应力张量的模拟结果，包括（非零）秒法向应力差，两个交联之间有多达18个纠缠。研究了子链中不同单体数目（no=50和no=100）的两种不同力律（高斯链和有限可拓链）的情况。证明了滑移和交联贡献的可加性假设适用于具有两个或多个缠结的足够长的链，并且该假设可用于构造无限长链网络的应变响应。一个重要的结论是，滑联对小应变剪切模量的贡献大约是交联贡献的$$\raise0.5ex\hbox{$\scriptstyle 2$}\kern-0.1em/\kern-0.15em\lower0.25ex\hbox{$\scriptstyle 3$}$$。
The mechanical properties of a polymeric network containing both crosslinks and sliplinks (entanglements) are studied using a multichain Brownian dynamics simulation. We coarse-grain at the level of chain segments connecting consecutive nodes (cross- or sliplinks), with particular attention on the Gaussian statistics of the network. Affine displacement of nodes is not imposed: Their displacement, as well as the sliding of monomers through sliplinks, is governed by force balances. The simulation results of stress in uniaxial extension and the full stress tensor in simple shear, including the (nonzero) second normal stress difference, are presented for monodisperse chains with up to 18 entanglements between two crosslinks. The cases of two different force laws of the subchains (Gaussian chains and chains with finite extensibility) for two different numbers of monomers in a subchain (no=50 and no=100) are examined. It is shown that the additivity assumption of slip- and crosslink contribution holds for sufficiently long chains with two or more entanglements, and that the assumption can be used to construct the strain response of a network of infinitely long chains. An important consequence is that the contribution of sliplinks to the small-strain shear modulus is about $$\raise0.5ex\hbox{$\scriptstyle 2$}\kern-0.1em/\kern-0.15em\lower0.25ex\hbox{$\scriptstyle 3$}$$ of the contribution of a crosslink.
影响因子：
5.5
作者：
Karino, T;Okumura, Y;Shibayama, M
通讯作者：
Shibayama, M
影响因子：
4.4
作者：
KREMER, K;GREST, GS
通讯作者：
GREST, GS