Please use this identifier to cite or link to this item: https://doi.org/10.1088/0031-8949/78/06/065601
DC FieldValue
dc.titleFirst-principles calculations of elastic constants of DO 3-Mg3 RE (RE = Sc, Y, La, Ce, Lu)
dc.contributor.authorOuyang, Y.
dc.contributor.authorTao, X.
dc.contributor.authorFeng, Y.
dc.contributor.authorDu, Y.
dc.contributor.authorZhong, X.
dc.date.accessioned2014-10-16T09:25:53Z
dc.date.available2014-10-16T09:25:53Z
dc.date.issued2008-12-01
dc.identifier.citationOuyang, Y., Tao, X., Feng, Y., Du, Y., Zhong, X. (2008-12-01). First-principles calculations of elastic constants of DO 3-Mg3 RE (RE = Sc, Y, La, Ce, Lu). Physica Scripta 78 (6) : -. ScholarBank@NUS Repository. https://doi.org/10.1088/0031-8949/78/06/065601
dc.identifier.issn00318949
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/96648
dc.description.abstractThe elastic constants of DO3-Mg3 RE (RE = Sc, Y, La, Ce and Lu) have been calculated at T = 0 K by applying the projector augmented wave (PAW) method within the generalized gradient approximation (GGA). The polycrystalline shear modulus, Young's modulus, Poisson's ratio and the anisotropic ratio of DO3-Mg3 RE are also estimated. The density of states and bonding charge densities of DO3-Mg3 Ce and DO3-Mg3 Er are calculated to understand the bonding characteristics of Mg3 RE. The calculated results indicate that the rare earth (RE) additions can improve the elastic modulus of Mg alloys. The predicted elastic constants of DO3-Mg3 RE provide helpful guidance for the design of novel Mg alloys. © 2008 The Royal Swedish Academy of Sciences.
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1088/0031-8949/78/06/065601
dc.description.sourcetitlePhysica Scripta
dc.description.volume78
dc.description.issue6
dc.description.page-
dc.description.codenPHSTB
dc.identifier.isiut000261315600028
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