论文部分内容阅读
结合卫星“微型核”的特点,研究电介质薄膜中的导热机理以及薄膜厚度对导热系数的影响.以结构较为简单、具有可靠势能函数,实验数据较为丰富和可靠的氩的(fcc)晶体为模型,采用平衡分子动力学方法(EMD)和各向异性非平衡分子动力学方法(NEMD)计算了氩晶体及其法向薄膜的热导率,并与实验结果进行比较.模拟结果表明,氩晶体纳米薄膜的热导率显著小于对应大体积晶体的实验值,具有明显的尺寸效应.在氩薄膜厚度为2·124—5·310nm的模拟范围内,薄膜的法向热导率随着薄膜厚度的增加而呈近似线性增加.
Combined with the characteristics of the satellite “micro-core”, the thermal conduction mechanism and the effect of film thickness on the thermal conductivity of the dielectric thin film are studied.The fcc crystals with relatively simple structure, reliable potential energy function and rich experimental data are used as the model The thermal conductivities of argon crystal and its normal films were calculated by the method of equilibrium molecular dynamics (EMD) and anisotropic unbalanced molecular dynamics (NEMD), and compared with the experimental results. The simulation results show that argon crystal The thermal conductivity of the nanofilms is significantly smaller than that of the corresponding large-volume crystals and has obvious size effect. In the simulated range of the thickness of the argon film, the normal thermal conductivity of the film varies with the film thickness The increase was an approximately linear increase.