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本文采用分子动力学模拟方法溅射制备和理想化建模得到调制周期为1.8 nm铜/3.6 nm金的纳米涂层样本,并研究涂层结构在温度梯度作用下的相关特性。结果表明不同纳米涂层在过渡界面处均存在共格生长界面层结构,其中溅射制备得到的涂层中存在一定的空位缺陷。这些缺陷将阻碍纳米涂层中的能量传递。同时共格生长界面层中的晶格失配和空位缺陷使得过渡界面层中粒子的活动能力增大,可能造成涂层在热应力作用下的失效。涂层中粒子运动功率图谱表明声子传递无明显规律。
In this paper, the molecular dynamics simulation method was used to prepare the sputter and idealized the model to obtain a nano-coating sample with a modulation period of 1.8 nm Cu / 3.6 nm Au. The correlation characteristics of the coating structure under temperature gradient were studied. The results show that there exist coexistent growth interfacial layer structures at different transitional interfaces, and some vacancies exist in the coatings prepared by sputtering. These defects will hinder the energy transfer in the nano-coating. At the same time, lattice mismatch and vacancy defects in the intergranular interface layer increase the particle mobility in the interfacial layer, which may lead to the failure of the coating under thermal stress. The particle motional power spectrum in the coating shows no obvious regularity of phonon transmission.