基于前期相关工作基础，申请人拟开展“聚合物交联网络的自组装与大变形耦合研究”，时间为2017年1月至2020年12月，为期四年。将采用理论建模结合数值模拟的研究方式，建立基于细胞骨架的生物聚合物网络交联结构的动态自组装、非线性大变形的耦合理论框架，并发展基于有限元、朗之万动力学和分子动力学的计算方法，系统研究这类活性生物软材料的动态力学行为。建立聚合物交联网络的单体聚合、解聚合、生长端分叉、封闭、脱落等微观自组装过程的动力学描述，研究上述分子尺度上随机过程的特征反应速率及其力学调控；针对半柔性纤维和相关交联蛋白组装而成的网络交联结构，研究半柔性纤维在热扰动情况下的拉伸、弯曲、屈曲等不同变形模式，交联位点解离、重连动力学，及其对网络力学响应的定量影响和微观机制。预期项目期间发表高质量学术论文8篇。

Based on the previous studies on related topics, the applicant proposes to work on the coupled behaviors between self-assembly and large-deformation of cross-linked biopolymer networks, with space- and time-varying stochastic processes under various mechanical stimuli. A central paradigm of this project is development of theoretical and computational models, with experimental data in literature as a supplement, for improvement of the existing theories and simulations of mechanical responses of cross-linked biopolymer networks. We will construct the representative structure of cross-linked biopolymer networks by a parallel simulation of polymerization, de-polymerization, branching, capping and ripping, and describe the stochastic dissociation and association processes in coupling with the force and displacement fields of the network structures. The study aims to explore the mechanical principals and structure-function relations of such active networks at different scales, and provide a theoretical guidance and methodological support for quantitatively regulating the mechanical performance for enabling engineering design of artificial cytoskeleton. The applicant expects to publish 8 papers in top-tier journals within this 4-year project.