银铜合金键合丝力学性能的第一性原理计算  

First-principles Calculation on Mechanical Properties of Ag-Cu Alloy Bonding Wire

作　　者：宗丽莉 潘新花[1] 徐豪杰 叶志镇[1] 薛子夜 赵义东 谢海涛 ZONG Lili;PAN Xinhua;XU Haojie;YE Zhizhen;XUE Ziye;ZHAO Yidong;XIE Haitao(School of Materials Science and Engineering,Zhejiang University,Hangzhou 310000,China;Zhejiang Gpilot Technology Co.,Ltd,Yueqing 325600,China)

机构地区：[1]浙江大学材料科学与工程学院,浙江杭州310000 [2]浙江佳博科技股份有限公司,浙江乐清325600

出　　处：《材料科学与工程学报》2022年第5期737-741,共5页Journal of Materials Science and Engineering

基　　金：浙江大学与浙江佳博科技股份有限公司校企合作资助项目(K18-509109-006)。

摘　　要：基于密度泛函理论的第一性原理计算研究了铜掺杂含量对银合金键合丝晶格常数、热力学性能和力学性能的影响。在CASTEP软件中,构建3×3×3的面心立方晶系的超胞模型,选择超软赝势平面波法处理电子波函数以及广义梯度近似法处理交换关联泛函。结果表明:银和铜可以形成稳定的固溶体,随铜含量的增加,其稳定性逐渐增强;根据计算得到的弹性常数(c_(ij))推算键合丝常见的力学参量表明:银铜合金键合丝保持着良好的力学稳定性,随铜掺杂含量的增加,其硬度和刚度均先增后减,而塑性则不断下降。同时选取两款常用键合丝进行了力学可靠性实验,实验结果与计算结果具有较高的吻合性。Based on the first-principles of Density Functional Theory(DFT),the effects of doping copper into silver bonding wire on lattice parameters,thermodynamic properties and mechanical properties were reported.In CASTEP software,the supercell model of 3×3×3 face-centered-cubic crystal system was constructed.The electronic wave function was treated by the Ultra Soft Pseudopotential plane wave method,and the exchange correlation functional was treated by the generalized gradient approximation method.Calculation results show that silver and copper can form stable solid solution,and its stability gradually increases with the increase of copper content.According to the calculated elastic constants(c_(ij)),the Ag-Cu alloy bonding wires maintain good mechanical stability.With the increase of copper content,its hardness and stiffness first increase and then decrease,while the plasticity decreases continuously.At the same time,two commonly used bonding wires were selected for mechanical reliability experiments.Experimental results are in good agreement with the calculation results,which proves the reliability of the calculation results.

关 键 词：第一性原理计算 密度泛函理论 银铜合金键合丝 力学性能 

分 类 号：TG146.32[一般工业技术—材料科学与工程]