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Theoretical study on Sn–Sb-based lead-free solder by ab initio molecular dynamics simulation

Published online by Cambridge University Press:  07 May 2019

Ye Yuan ,
Xiumin Chen ,
Zhiqiang Zhou ,
Yifu Li ,
Baoqiang Xu ,
Dachun Liu  and
Bin Yang
Ye Yuan
Affiliation:
National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Xiumin Chen*
Affiliation:
State Key Laboratory of Complex Nonferrous Metal Resources Clear Utilization, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Zhiqiang Zhou
Affiliation:
State Key Laboratory of Complex Nonferrous Metal Resources Clear Utilization, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Yifu Li
Affiliation:
National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Baoqiang Xu
Affiliation:
State Key Laboratory of Complex Nonferrous Metal Resources Clear Utilization, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Dachun Liu
Affiliation:
National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
Bin Yang*
Affiliation:
State Key Laboratory of Complex Nonferrous Metal Resources Clear Utilization, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China; and Yunnan Provincial Key Laboratory for Nonferrous Vacuum Metallurgy, Kunming University of Science and Technology, Kunming 650093, People’s Republic of China
*
a)Address all correspondence to these authors. e-mail: [email protected]
b)e-mail: [email protected]
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Abstract

Sn–Sb alloy is an ideal candidate for lead-free solder; however, its performance has been inferior to that of Sn–Pb alloy. Here, the authors used ab initio molecular dynamics simulation to investigate the interatomic interaction in Sn–Sb-based lead-free solders. By calculating the electron density distribution, bond population, and partial density of states, the authors found that the Sn–Sb bonds are a mixture of nonlocalized metal and localized covalent bonds. The covalent bond between Sn and Sb is easy to break at higher temperatures, so Sn–Sb (6.4 wt%) had better fluidity than other studied Sn–Sb alloys. Furthermore, adding Cu or Ag into Sn–Sb alloys can decrease the strength of covalent bonds and stabilize the metal bonds, which improves the metallicity and wettability of the Sn–Sb–Cu and Sn–Sb–Cu–Ag systems when the temperature increases. These results are all in good agreement with experimental findings and have significant value for the development of new solder alloys.

Keywords

DFTSn–Sblead-free solder
Type
Article
Information
Journal of Materials Research , Volume 34 , Issue 14 , 28 July 2019 , pp. 2543 - 2553
Copyright
Copyright © Materials Research Society 2019 

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