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冉藤, 樊涛, 杜飞, 翟翔, 杨栋华, 黄福祥. α-CoSn3 IMC弹性模量各向异性的第一性原理[J]. 焊接学报, 2021, 42(6): 71-76. DOI: 10.12073/j.hjxb.20201209004
引用本文: 冉藤, 樊涛, 杜飞, 翟翔, 杨栋华, 黄福祥. α-CoSn3 IMC弹性模量各向异性的第一性原理[J]. 焊接学报, 2021, 42(6): 71-76. DOI: 10.12073/j.hjxb.20201209004
RAN Teng, FAN Tao, DU Fei, ZHAI Xiang, YANG Donghua, HUANG Fuxiang. First-principles study on anisotropy of elastic modulus of α-CoSn3 IMC[J]. TRANSACTIONS OF THE CHINA WELDING INSTITUTION, 2021, 42(6): 71-76. DOI: 10.12073/j.hjxb.20201209004
Citation: RAN Teng, FAN Tao, DU Fei, ZHAI Xiang, YANG Donghua, HUANG Fuxiang. First-principles study on anisotropy of elastic modulus of α-CoSn3 IMC[J]. TRANSACTIONS OF THE CHINA WELDING INSTITUTION, 2021, 42(6): 71-76. DOI: 10.12073/j.hjxb.20201209004

α-CoSn3 IMC弹性模量各向异性的第一性原理

First-principles study on anisotropy of elastic modulus of α-CoSn3 IMC

  • 摘要: 焊点微型化的同时,界面IMC在整个焊点中所占比例显著增大,微焊点在服役过程中对界面IMC的取向变得更加敏感. 文中基于密度泛函理论计算了α-CoSn3的晶格常数和弹性模量各向异性,并比较了常见IMC的各向异性指数. 结果表明,100方向的抗线性压缩能力小于其它两个主晶轴;(100)剪切面抵抗剪切变形的能力大于其它两个主晶面. 根据差分电子密度图分析了成键轨道的具体贡献. α-CoSn3三维弹性模量随晶体取向变化的三维图及投影图直观的展现它们各向异性的性质. 计算了α-CoSn3各向异性指数,并与常见IMC比较了各向异性程度,得到α-CoSn3各向异性程度居中的结论.

     

    Abstract: While the solder joints are miniaturized, the proportion of interface IMC in the entire solder joints has increased significantly, and the micro solder joints become more sensitive to the orientation of the interface IMC during the service process. Therefore, this work is based on density functional theory to calculate the lattice constant and elastic modulus anisotropy of α-CoSn3, and compares the anisotropy indices of common IMCs. The results show that the resistance to linear compression in the 100 direction is less than that of the other two main crystal axes; the (100) shear plane is more resistant to shear deformation than the other two main crystal planes. According to the differential electron density map, the specific contribution of the bonding orbital is analyzed. The three-dimensional graphs and projection graphs of the three-dimensional elastic modulus of α-CoSn3 varying with crystal orientation intuitively show their anisotropic properties. The anisotropy index of α-CoSn3 was calculated, and compared with other common IMCs in brazing, the anisotropy degree of α-CoSn3 was found to be in the middle.

     

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