dc.contributor | The Pennsylvania State University | en_US |
dc.contributor | University of Science and Technology Beijing | en_US |
dc.contributor | U.S. Army Research Laboratory | en_US |
dc.contributor | U.S. Army Research Office | en_US |
dc.contributor.author | Wang, William Yi | |
dc.contributor.author | Shang, Shun Li | |
dc.contributor.author | Wang, Yi | |
dc.contributor.author | Darling, Kristopher A. | |
dc.contributor.author | Kecskes, Laszlo J | |
dc.contributor.author | Mathaudhu, Suveen N. | |
dc.contributor.author | Hui, Xi Dong | |
dc.contributor.author | Liu, Zi-Kui | |
dc.contributor.other | yuw129@psu.edu; billyi.wang@gmail.com; dr.liu@psu.edu | en_US |
dc.date.accessioned | 2014-08-08T17:30:33Z | |
dc.date.available | 2014-08-08T17:30:33Z | |
dc.date.issued | 2014-08-08 | |
dc.identifier.citation | W.Y. Wang, S.L. Shang, Y. Wang, K.A. Darling, L.J. Kecskes, S.N. Mathaudhu, X.D. Hui, and Z.-K. Liu, “Electronic structures of long periodic stacking order structures in Mg: A first-principles study,” Journal of Alloys and Compounds2014, pp. 656-662. | en_US |
dc.identifier.uri | http://hdl.handle.net/11256/77 | |
dc.description.abstract | Long period stacking order (LPSO) structures, such as 6H, 10H, 14H, 18R and 24R, play significant roles in enhancing the mechanical properties of Mg alloys and have been largely investigated separately. In the present work, through detailed investigations of deformation electron density, we show that the electron structures of 10H, 14H, 18R and 24R LPSO structures in Mg originate from those of deformation stacking faults in Mg, and their formation energies can be scaled with respect to formation energy and the number of layers of deformation stacking faults, while the electron structure and formation energy of the 6H LPSO structure are between those of deformation and growth stacking faults. The simulated images of high resolution transmission electron microscopy compare well with experimental observed ones. The understanding of LPSO structures in Mg enables future quantitative investigations of effects of alloying elements on properties of LPSO structures and Mg alloys. | en_US |
dc.description.sponsorship | This work was financially supported by the U.S. Army Research Lab (Project No. W911NF-08-2-0064) and the National Science Foundation (Grant No. DMR-1006557) in the United States, National Natural Science Foundation of China (Grant Nos. 51071018). W.Y. Wang acknowledges the support from the Project Based Personnel Exchange Program with China Scholarship Council and American Academic Exchange Service ([2008] 3072). First-principles calculations were carried out on the LION clusters supported by the Materials Simulation Center and the Research Computing and Cyberinfrastructure unit at the Pennsylvania State University. Calculations were also carried out on the CyberStar cluster funded by NSF through grant OCI-0821527, and partially on resources of the National Supercomputer Center in Shenzhen. | en_US |
dc.relation.uri | http://dx.doi.org/10.1016/j.jallcom.2013.10.068 | en_US |
dc.rights | CC0 1.0 Universal | * |
dc.rights.uri | http://creativecommons.org/publicdomain/zero/1.0/ | * |
dc.subject | Mg | en_US |
dc.subject | Stacking faults | en_US |
dc.subject | Long period stacking order (LPSO) | en_US |
dc.subject | Deformation electron density | en_US |
dc.title | Electronic structures of long periodic stacking order structures in Mg: A first-principles study | en_US |
dc.type | Dataset | en_US |