本项目提出结合分子动力学模拟与实验相结合，对不同填料增强橡胶复合材料，重点发展出实现填料均匀分散的技术，开展填料分散形貌与复合材料动态生热关系的研究。本项目中将重点研究以下几个问题：(1)通过分子动力学模拟研究实现填料均匀分散的动力学与热力学过程；(2)模拟预测橡胶复合材料在动态拉伸与动态剪切过程中填料分散结构与动态生热之间的关系；(3)改变不同的填料与橡胶基体，制备出具有不同形状填料但均匀分散的橡胶复合材料，研究系列结构因素对填料分散结构与动态生热关系的影响；(4)在上面基础上，通过实验的手段与方法，合成与制备出具有填料均匀分散形貌的新型橡胶纳米复合材料，对外力加载下动态生热进行表征，并对模拟预测结果进行验证。为高性能、低动态生热与长寿命的橡胶制品的设计与制备提供科学依据和理论指导。

In this project, for various kinds of nanoparticles(NPs) reinforced rubber nanocomposites, we mainly develop the dispersion technique to realize the homogeneous distribution of the NPs, and study the relation between the dispersed morphology of the NPs and the dynamic heat build-up of the composite through the combination of molecular dynamics simulation and experiment. In this project we focus our attention on the following scientific issues: (1)to study the kinetics and thermodynamics of realizing the homogeneous dispersion of the NPs through molecular dynamics simulation, (2)to predict the dispersed structure and the dynamic heat build-up of rubber nanocomposites under the dynamic tension and shear deformations, (3)to prepare rubber nanocomposites with a well dispersed state of NPs with different shapes by modifying the kind of the NPs and the rubber matrix, and determine the effect of the structural parameters on the dispersed structure and dynamic heat build-up,(4)On the basis of this, we hope to synthesize and fabricate novel rubber nanocomposites with a homogeneous dispersion of the NPs through the experimental approach, and characterize the dynamic heat build-up under the dynamic loading-unloading, and validate the simulated results. These results are expected to provide scientific basis and theoretical guidance for the design and fabrication of high performance rubber products with low dynamic heat build-up and long service life.