Investigation into the strength of β-Sn/α-CoSn3 and Co/α-CoSn3 interfaces with Ni-doped α-CoSn3 using first-principles calculations

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
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Abstract

The strength of Pb-free solder/Co-Ni alloy joints was investigated using first-principles calculations. The adhesion work was computed, revealing that the inclusion of Ni in the α-CoSn3 phase reduced the adhesion work for both β-Sn/α-CoSn3 and Co/α-CoSn3 systems. Tensile and shear simulations further demonstrated distinct differences in the mechanical properties between β-Sn/α-(Co,Ni)Sn3 and Co/α-(Co,Ni)Sn3 systems. The results demonstrate that Co/α-(Co,Ni)Sn3 exhibited superior tensile and shear strength. The analysis suggests that failure in β-Sn/α-(Co,Ni)Sn3 structures was more likely to originate either at the interface or near the β-Sn region, as opposed to within the α-(Co,Ni)Sn3 phase for the Co/α-(Co,Ni)Sn3 structures. This observation is consistent with predictions made by Griffith’s fracture theory. Additionally, the valence electron density map illustrates the electron transfer under varying tensile strains.

Abstract Image

利用第一原理计算研究β-Sn/α-CoSn3 和 Co/α-CoSn3 与掺杂镍的α-CoSn3 的界面强度
利用第一原理计算研究了无铅焊料/钴镍合金接头的强度。计算发现,在 α-CoSn3 相中加入镍会降低 β-Sn/α-CoSn3 和 Co/α-CoSn3 系统的粘附功。拉伸和剪切模拟进一步表明,β-Sn/α-(Co,Ni)Sn3 和 Co/α- (Co,Ni)Sn3 体系的机械性能存在明显差异。结果表明,Co/α-(Co,Ni)Sn3 的拉伸和剪切强度更高。分析表明,对于 Co/α-(Co,Ni)Sn3 结构而言,β-Sn/α-(Co,Ni)Sn3 结构的失效更有可能发生在界面或β-Sn 区域附近,而不是在 α-(Co,Ni)Sn3相内。这一观察结果符合格里菲斯断裂理论的预测。此外,价电子密度图还说明了不同拉伸应变下的电子转移情况。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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