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程宏涛, 杨建国, 刘雪松, 方洪渊. 铜/锡界面间扩散行为分子动力学模拟[J]. 焊接学报, 2009, (5): 49-52.
引用本文: 程宏涛, 杨建国, 刘雪松, 方洪渊. 铜/锡界面间扩散行为分子动力学模拟[J]. 焊接学报, 2009, (5): 49-52.
CHENG Hongtao, YANG Jianguo, LIU Xuesong, FANG Hongyuan. Molecular dynamics simulation of diffusion behavior between the interface of Cu/Sn[J]. TRANSACTIONS OF THE CHINA WELDING INSTITUTION, 2009, (5): 49-52.
Citation: CHENG Hongtao, YANG Jianguo, LIU Xuesong, FANG Hongyuan. Molecular dynamics simulation of diffusion behavior between the interface of Cu/Sn[J]. TRANSACTIONS OF THE CHINA WELDING INSTITUTION, 2009, (5): 49-52.

铜/锡界面间扩散行为分子动力学模拟

Molecular dynamics simulation of diffusion behavior between the interface of Cu/Sn

  • 摘要: 采用分子动力学方法,基于MEAM原子间作用势模型模拟了钎焊过程中固液界面扩散过程,从原子尺度对液态钎料原子向母材金属中的扩散行为进行模拟计算.计算了锡钎料在510K温度下向母材中的扩散系数.结果表明,当扩散反应达到平衡态时,原子位移平均平方代换与反应时间成线性关系,钎料原子在xy矢量方向扩散速度相近,且远大于z方向扩散速率.根据爱因斯坦扩散方程计算得到界面反应过程中钎料原子在xyz三个矢量方向上的扩散系数分别为2.03×10-9,2.05×10-9,5.06×10-10cm2/s.z方向扩散系数模拟值同试验值比较,模拟结果与试验结果吻合一致。

     

    Abstract: With the molecular dynamics simulations based on modified embedded atom method(MEAM) potentials, the discussion was presented about the diffusion behavior of the interfacial reaction in the soldering wetting process, and the theoretical analysis was used to explain the soldering diffusion process on the base metal from the view of atomic scale.The simulation results indicate that, when the reaction reaches the balance state, the mean square displacement of the atoms motion varies linearly with the reaction time step, the diffusion speed of the solder atoms in x direction is equal with that in the y direction, and both are faster than that in the y direction.Based on the equation of Einstein, the diffusion coefficients of the solder atoms spread on x, y, z directions are 2.03×10-9, 2.05×10-9, 5.06×10-10cm2/s, respectively.The diffusion coefficient of z direction is in good agreement with the experiment value, which agrees with the macroscopic proceeding in the soldering.

     

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