论文标题
模型无序,多分散和无缺陷聚合物网络的结构和弹性
Structure and elasticity of model disordered, polydisperse and defect-free polymer networks
论文作者
论文摘要
无序和多分散聚合物网络的弹性是软物质物理学的基本问题,仍然是开放的。在这里,我们通过模拟二价和三或四片斑块粒子的混合物来自组装聚合物网络,从而导致指数链长度分布类似于与实验性的随机交联系统相似的分布。组装后,网络连接性和拓扑被冷冻,并表征所得的系统。我们发现网络的分形结构取决于进行组件的数量密度,但是具有相同平均值和相同组装密度的系统具有相同的结构属性。此外,我们计算了均方体位移的长期极限,也称为(平方)的定位长度,交联和链的中间单体的均值,表明长链的动力学是由管模型很好地描述的。最后,我们找到了一个关系,将这两个定位长度连接到高密度,并将交联定位长度连接到系统的剪切模量。
The elasticity of disordered and polydisperse polymer networks is a fundamental problem of soft matter physics that is still open. Here, we self-assemble polymer networks via simulations of a mixture of bivalent and tri- or tetravalent patchy particles, which result in an exponential strand length distribution analogous to that of experimental randomly crosslinked systems. After assembly, the network connectivity and topology are frozen and the resulting system is characterized. We find that the fractal structure of the network depends on the number density at which the assembly has been carried out, but that systems with the same mean valence and same assembly density have the same structural properties. Moreover, we compute the long-time limit of the mean-squared displacement, also known as the (squared) localization length, of the crosslinks and of the middle monomers of the strands, showing that the dynamics of long strands is well described by the tube model. Finally, we find a relation connecting these two localization lengths at high density, and connect the crosslink localization length to the shear modulus of the system.