摘要
为研究不同取向对Cu/Cu3Sn界面原子扩散行为的影响,建立了(100)Cu_(3)Sn//(100)Cu、(100)Cu_(3)Sn//(110)Cu以及(010)Cu_(3)Sn//(112)Cu三种界面结构的模型。运用分子动力学方法模拟了900~1100 K下各模型Cu/Cu3Sn界面处的原子扩散,观察具体的扩散情况并计算了扩散系数。结果表明,温度和界面取向均对扩散系数有影响。温度升高,界面原子的紊乱程度加剧。同一模型的扩散系数随温度升高而增大。三种界面结构在同一温度下界面偏移程度不同,Cu晶体中的Cu原子扩散速度要低于Cu_(3)Sn中的Cu1、Cu2和Sn1原子,其中Cu原子是Cu_(3)Sn相中界面扩散的主要原子。对于Cu晶体,(110)Cu取向上的Cu原子扩散速度最快。Cu3Sn晶体在900~1000 K时,(010)Cu_(3)Sn//(112)Cu模型界面的Cu1、Cu2和Sn1原子由于扩散激活能垒最低而显得扩散速度最快;在高于1000 K时,(100)Cu_(3)Sn//(110)Cu模型的Cu1、Cu2和Sn1原子由于原子排列稀疏、扩散阻力最小而扩散速度最快。三种Cu/Cu_(3)Sn界面结构取向模型扩散速度的差异是界面原子排列及相应原子的扩散激活能不同导致的。
To investigate how crystal orientations affect the diffusion of atoms at the Cu/Cu_(3)Sn interface,three interface models were established for the interface of(100)Cu_(3)Sn∥(100)Cu,(100)Cu_(3)Sn∥(1-10)Cu and(010)Cu_(3)Sn∥(1-1-2)Cu.The atomic diffusion at the Cu/Cu_(3)Sn interface was simulated from 900 K to 1100 K using molecular dynamics method to study the diffusion and calculate the diffusion coefficient.The results show that both temperature and crystal orientation can affect the diffusivity at the interface.Higher temperature increase the disorder of interfacial atomic.All three models show larger diffusivity at higher temperature and have different degree of interface offset at the same temperature.Compared with Cu atoms in Cu crystals,Cu1,Cu2,and Sn1 atoms diffuse quicker in the Cu3 Sn crystals,where the interface is rich in Cu atoms.For Cu crystals,the Cu atoms diffuse fastest at the(1-10)Cu interface.When Cu_(3)Sn crystal is at 900-1000 K,the Cu1,Cu2 and Sn1 atoms in model for(010)Cu_(3)Sn∥(1-1-2)Cu interface have the largest diffusivity due to the lowest diffusion activation energy barrier of atoms.Above 1000 K,the Cu1,Cu2 and Sn1 atoms diffuse fastest at the(100)Cu_(3)Sn∥(1-10)Cu interface due to the sparse atomic arrangement and minimal diffusion resistance.The difference in the interface diffusivity of the three Cu/Cu_(3)Sn interface models is caused by the arrangement of the interface atoms and the discrepancy of diffusion activation energy for the corresponding atoms.
作者
李姗珊
李晓延
张伟栋
杨刚力
张虎
LI Shanshan;LI Xiaoyan;ZHANG Weidong;YANG Gangli;ZHANG Hu(Faculty of Materials and Manufacturing,Beijing University of Technology,Beijing 100124,China;China Nuclear Industry 23 Construction Co.,Ltd.,Beijing 101300,China)
出处
《电子元件与材料》
CAS
北大核心
2023年第4期467-475,共9页
Electronic Components And Materials
基金
国家自然科学基金面上项目(5197051636)。
作者简介
通信作者:李晓延,教授,主要从事微电子组装材料与技术等研究。E-mail:xyli@bjut.edu.cn。
