{"title":"Investigation into the strength of β-Sn/α-CoSn3 and Co/α-CoSn3 interfaces with Ni-doped α-CoSn3 using first-principles calculations","authors":"","doi":"10.1016/j.commatsci.2024.113310","DOIUrl":null,"url":null,"abstract":"<div><p>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-CoSn<sub>3</sub> phase reduced the adhesion work for both β-Sn/α-CoSn<sub>3</sub> and Co/α-CoSn<sub>3</sub> systems. Tensile and shear simulations further demonstrated distinct differences in the mechanical properties between β-Sn/α-(Co,Ni)Sn<sub>3</sub> and Co/α-(Co,Ni)Sn<sub>3</sub> systems. The results demonstrate that Co/α-(Co,Ni)Sn<sub>3</sub> exhibited superior tensile and shear strength. The analysis suggests that failure in β-Sn/α-(Co,Ni)Sn<sub>3</sub> structures was more likely to originate either at the interface or near the β-Sn region, as opposed to within the α-(Co,Ni)Sn<sub>3</sub> phase for the Co/α-(Co,Ni)Sn<sub>3</sub> 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.</p></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927025624005317","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
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.
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.