中文摘要：

为了研究质量分数为15%FeS的Cu-FeS自润滑材料内部结构与导热性能的关联,采用分子动力学的方法,在考虑界面热阻的情况下构建原子模型,对增强相和复合材料导热性能进行模拟研究。结果表明：FeS在600 K、900 K时会发生有利于热传导的结构变化,系统界面热阻随着FeS尺寸的增大而减小,颗粒大于100 nm时,界面热阻趋于一定值。通过计算所得导热率与实验数值较接近,误差的引起是由于计算没有考虑温度升高对界面结合的破坏、界面的不完整性、基体内部缺陷、弥散相的大小等因素。验证了Hasselman-Johnson方法对于预测该复合材料的合理性。

英文摘要：

In order to investigate the mechanism for Cu-FeS composite（the mass fraction for reinforced FeS phase is 15%） thermal conductivity and the internal structure,the thermal conductivity for composite and reinforced phase were calculated by the molecular dynamics simulation model of FeS particle in the copper matrix and model of interface thermal barrier resistance.The calculated results show that： the structure of FeS changes in 600 K and 900 K;the interface thermal barrier tends to a constant when the size of particle is over 100 nm.The difference between test and simulation for thermal conductivity is caused by the ignoring of imperfection and destruction of interface during heating,matrix defection,and the different particle sizes.The Hasselman-Johnson model is suitable for the thermal conductivity prediction.