[1]刘? 军??? 张立群*.橡胶纳米复合材料计算机模拟研究进展与挑战[J].中国材料进展,2014,(4):232-237.[doi:10.7502/j.issn.1674-3962.2014.04.05]
 LIU Jun,ZHANG Liqun.Achievements and Challenges of Computer Simulation Study of Rubber Nanocomposites[J].MATERIALS CHINA,2014,(4):232-237.[doi:10.7502/j.issn.1674-3962.2014.04.05]
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橡胶纳米复合材料计算机模拟研究进展与挑战()
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中国材料进展[ISSN:1674-3962/CN:61-1473/TG]

卷:
期数:
2014年第4期
页码:
232-237
栏目:
特约研究论文
出版日期:
2014-04-30

文章信息/Info

Title:
Achievements and Challenges of Computer Simulation Study of Rubber Nanocomposites
作者:
刘? 军??? 张立群*
北京化工大学,北京 朝阳 100029
Author(s):
LIU Jun ZHANG Liqun
Beijing University of Chemical Technology, Beijing, Chaoyang, 100029
关键词:
橡胶纳米增强分散界面动静态力学分子动力学模拟
DOI:
10.7502/j.issn.1674-3962.2014.04.05
文献标志码:
A
摘要:
本文总结了我们采用分子动力学模拟研究橡胶纳米复合材料目前取得的主要进展,包括不同几何形状的纳米颗粒在橡胶基体中的分散机理、颗粒与橡胶分子链间的界面结合(聚合物玻璃化层是否存在)、颗粒对应力应变增强机理、碳纳米弹簧的引入对橡胶粘弹性的调控以及橡胶纳米复合材料非线性行为(Payne效应)产生的机理。这些基础问题的澄清,将为制备动静态力学性能兼顾的橡胶纳米复合材料提供重要科学依据与理论指导,进而实现我国轮胎制品的高性能化与绿色化。最后针对橡胶纳米复合材料多层次多尺度结构与性能关系,我们简要评述了计算机模拟研究存在的挑战。
Abstract:
Here we summarize the current main progress achieved in the aspect of rubber nanocomposites studied through molecular dynamics simulation, including the dispersion mechanism of nanofillers with various geometrical shapes in rubbery chains, the interfacial interaction between fillers and rubbery chains(whether the glassy polymer layer exists), the strengthened mechanism of the stress-strain behavior, the adjusting of the visco-elasticity of rubbery chains by the introduced carbon nano-springs and the mechanism accounting for the non-linear behavior of rubber nanocomposites. Elucidating these basic questions will provide significant scientific basis and theoretical guidance for preparing rubber nanocomposites with both excellent static and dynamic mechanical properties, further promoting the development of Chinese green automobile tires with high performance. Lastly, we briefly evaluate the challenges with regards to the structure-property relation of rubber nanocomposites investigated through computer simulation.

Keywords: rubber; nano-reinforcement; dispersion; interface; static and dynamic mechanics; molecular dynamics simulation

更新日期/Last Update: 2014-03-27