Abstract:Alloying elements
can pronouncedly change the mechanical properties
of intermetallic compounds. However, the effect mechanism of this
in Mg2Si alloys is not clear yet. In this paper, systematic
first-principles calculations were performed to investigate the effect
of alloying elements on the ductility of Mg–Si alloys. It was
found that some alloying elements such as In, Cu, Pd, etc. could improve
the ductility of Mg2Si alloys. Moreover, the interatomic
bonding mechanisms were analyzed through the electron loca… Show more
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