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YU Bo, LI Xiaoyan, YAO Peng, ZHU Yongxin. Numerical simulation of diffusion behavior of Cu3Sn/Cu interface based on molecular dynamics[J]. TRANSACTIONS OF THE CHINA WELDING INSTITUTION, 2017, 38(8): 50-54. DOI: 10.12073/j.hjxb.20150418001
Citation: YU Bo, LI Xiaoyan, YAO Peng, ZHU Yongxin. Numerical simulation of diffusion behavior of Cu3Sn/Cu interface based on molecular dynamics[J]. TRANSACTIONS OF THE CHINA WELDING INSTITUTION, 2017, 38(8): 50-54. DOI: 10.12073/j.hjxb.20150418001
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Numerical simulation of diffusion behavior of Cu3Sn/Cu interface based on molecular dynamics

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  • Received Date: April 17, 2015
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    • Abstract
  • In this paper, the diffusion process of Cu3Sn/Cu interface in leadfree solder joints was investigated using molecular dynamics (MD) technique with the modified embedded atomic method (MEAM) potentials. The diffusion behavior of different atoms was analyzed and the diffusion activation energies was obtained. In addition, the thickness of diffusion transition zone was acquired based on the empirical equation of diffusion. The simulation results indicate that the Cu atoms predominantly diffuse into the Cu3Sn side in the process of diffusion. The Cu atoms diffuse slowly but deeply diffuse into the interior of Cu3Sn, whereas the atoms of Cu3Sn diffuse with high rate but hardly diffuse into the interior of Cu. Based on the Arrhenius relation and equation of Einstein, the diffusion activation energies of Cu lattice atoms at interface is 172.76 kJ/mol, and the Cu and Sn atoms in Cu3Sn lattice are 52.48 and 77.86 kJ/mol, respectively.
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    1. 任二花，李晓延，张虎，韩旭. 空位对Cu/Sn焊点中Cu_3Sn层元素扩散的影响. 电子元件与材料. 2022(04): 381-386 .

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