Energy investigations on the mechanical properties of magnesium alloyed by X = C, B, N, O and vacancy
KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
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AbstractThe generalized stacking fault (GSF) energies and surface energies of magnesium and its alloys with alloying atoms X = C, B, N, O and vacancy have been investigated using the first-principles methods. It is found that the predominant reducing effects of the alloying atoms and vacancy on the stacking fault energy are resulted from the position of them in the 1st layer near the slip plane. The stacking fault energies are nearly the same as the pure magnesium while the alloying atoms and vacancy are placed in the 2nd, 3rd, 4th, 5th and 6th layers. It has been shown that O strongly reduces the GSF energy of Mg. The alloying atoms C, B and N increase the surface energy, but O and vacancy reduce the surface energy of Mg. The ductilities of Mg and Mg alloys have been discussed based on the Rice criterion by using the ratio between surface energy and unstable stacking fault energy. © 2013 Higher Education Press and Springer-Verlag Berlin Heidelberg.
SponsorsThe work was supported by the National Natural Science Foundation of China (Grant No. 11104361) and Project No. CQDXWL2012015 supported by the Fundamental Research Funds for the Central Universities.
JournalFrontiers of Materials Science