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dc.contributor.authorWu, Xiaozhi
dc.contributor.authorLiu, Lili
dc.contributor.authorWang, Rui
dc.contributor.authorGan, Liyong
dc.contributor.authorLiu, Qing
dc.date.accessioned2015-08-03T11:34:36Z
dc.date.available2015-08-03T11:34:36Z
dc.date.issued2013-10-25
dc.identifier.issn2095025X
dc.identifier.doi10.1007/s11706-013-0221-9
dc.identifier.urihttp://hdl.handle.net/10754/563049
dc.description.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.
dc.description.sponsorshipThe 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.
dc.publisherSpringer Nature
dc.subjectmagnesium
dc.subjectRice criterion
dc.subjectstacking fault energy
dc.subjectsurface energy
dc.titleEnergy investigations on the mechanical properties of magnesium alloyed by X = C, B, N, O and vacancy
dc.typeArticle
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalFrontiers of Materials Science
dc.contributor.institutionNational Engineering Research Center for Magnesium Alloys, Chongqing University, Chongqing, 400044, China
dc.contributor.institutionCollege of Materials Science and Engineering, Chongqing University, Chongqing, 400044, China
dc.contributor.institutionCollege of Physics and Institute for Structure and Function, Chongqing University, Chongqing, 401331, China
kaust.personGan, Liyong
dc.date.published-online2013-10-25
dc.date.published-print2013-12


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