仿弹性蛋白高分子材料的粘弹性力学性能研究

项目名称： 仿弹性蛋白高分子材料的粘弹性力学性能研究

项目编号： No.11472065

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 数理科学和化学

项目作者： 唐山

作者单位： 重庆大学

项目金额： 88万元

中文摘要： 针对仿弹性蛋白高分子材料在复杂受力和含水及无水条件下的粘弹性力学性能进行研究。基于仿弹性蛋白高分子材料的微观结构，建立高分子链和水混合的分子动力学模型，研究仿弹性蛋白高分子材料在含水或无水情况下的高分子链变形、链间相互作用及水和高分子链间的相互作用。根据分子动力学模拟结果，进行统计分析,计算水和高分子链的相互作用能，并建立单高分子链受动态约束下的统计力学模型。借鉴连续介质力学的均匀化方法，统计平均高分子链的力学行为，建立材料的宏观本构模型，最后将其与实验测试结果进行对比分析。同时提出高效的数值计算方法，以解决统计平均过程难以得到封闭理论解的问题。最终实现仿弹性蛋白高分子材料力学性能的有效表征。研究结果可为化学合成仿弹性蛋白高分子材料提供指导，并为其在生物医疗、能源收集及工程应用中的复杂结构设计提供理论依据。

中文关键词： 微结构；本构模型；计算力学；大变形；软物质

英文摘要： We will perform the mechanics test on biomimetic elastins under the condition of complicated stress states and with or without water to obtain the viscoelasticity property, its dependence on walter content, temperature and microstructure. Based on the polymer chain strucutre, we will first build the model of mixing the water and polymer chains for molecular dynamics simulation. The model will be empolyed to investigate the deformation of chains, interaction between chains and interaction between water molecule and polymer chains. Based on the molecular dynamics simulation, the interaction energy between water and polymer chains will be computed. The statistical model for a single polymer chain under constraints also will be built. Inspired by the homogenization method in continuum mechanics, we then will do statistical average over polymer chains to obtain the constitutive relations for bulk biomemetic elastins. The high efficient numerical methods will be proposed to avoid the difficulty in obtaining the close solution. Through the study, the biometic elastins will be efficiently characterized. It can provide guidance on chemical synthesis to increase the yielding and stability of sythesis. It may also open a new way on biological and medical applications, energy havesting and complex struture design in engineering applications.

英文关键词： Microstructure;Constitutive model;Computational mechanics;Large deformation;Soft material