First-Principles Studies on Twinnability of Magnesium Alloys: Effects of Yttrium and Lithium on ( 101̄1)[1̄012] Compression Twinning Deformation Processes

Won June Kim; Kyeong Hwan Han; Young Joo Lee; Hyungjun Kim; Eok Kyun Lee

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자료유형: 학술저널

저자정보: Won June Kim (Université de Lorraine) Kyeong Hwan Han (Korea Advanced Institute of Science and Technology) Young Joo Lee (Research Institute of Industrial Science and Technology) Hyungjun Kim (Korea Advanced Institute of Science and Technology) Eok Kyun Lee (Korea Advanced Institute of Science and Technology)

저널정보: 대한금속·재료학회 Metals and Materials International Metals and Materials International Vol.24 No.4

발행연도: 2018.1

수록면: 720 - 729 (10page)

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We investigate the energetics involved in the ( 101̄2)[1̄011] tension and ( 101̄1)[1̄012] compression twinning deformationprocesses in magnesium via fi rst-principles studies. Through identifi cation of structural changes associated with each deformationprocess, we study the energetics of each deformation process and the local instability in the twin boundary region. We observe that the energy barrier in the (10̄11)[̄1012] compression twinning deformation pathway is higher than that inthe ( 101̄2)[1̄011] tension twinning deformation pathway, even though the ( 101̄1) compression twin boundary is more stablethan the ( 101̄2) tension twin boundary. We extend our study to examine the Effects of Y and Li as alloying elements on eachtwinning deformation process. Our calculations predict that the addition of Y causes a reduction in the probability of fractureby an order of magnitude when the twinning deformation occurs and weakening of the resistivity to twinning deformation. However, the Effect of Li addition on the twinning deformations is weaker than that of Y addition.

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