论文标题
理解和建模聚合物:多个尺度的挑战
Understanding and modeling polymers: The challenge of multiple scales
论文作者
论文摘要
聚合物材料具有特征性的特征,即根据定义,它们是多尺度系统。单个分子的描述已经涉及多种不同的尺度,并且聚合物组件中的合作过程受这些量表的相互作用的控制。聚合物一直是开发系统的多尺度技术的第一批材料之一,但它们仍在为建模者面临非凡的挑战。从这个角度来看,我们回顾了流行的模型,这些模型用于描述不同尺度上的聚合物,并讨论了比例桥接策略,例如静态和动态的粗粒方法和多解析方法。我们关闭了一系列难题的列表,这些问题仍然需要解决,以便在所有尺度上对聚合物系统进行全面的定量理解。
Polymer materials have the characteristic feature that they are multiscale systems by definition. Already the description of a single molecules involves a multitude of different scales, and cooperative processes in polymer assemblies are governed by the interplay of these scales. Polymers have been among the first materials for which systematic multiscale techniques were developed, yet they continue to present extraordinary challenges for modellers. In this perspective, we review popular models that are used to describe polymers on different scales and discuss scale bridging strategies such as static and dynamic coarse-graining methods and multiresolution approaches. We close with a list of hard problems which still need to be solved in order to gain a comprehensive quantitative understanding of polymer systems on all scales.