@article{a493f4866c1f47a1861bd319a7ada6db,
title = "Elastic properties of long periodic stacking ordered phases in Mg-Gd-Al alloys: A first-principles study",
abstract = "Long periodic stacking ordered (LPSO) phases have been reported to enhance the strength and ductility of Mg alloys due to their high elastic properties. In the present work, the effects of atomic arrangements in terms of Gd-Al L12-type clusters on LPSOs' elastic properties in the Mg-Gd-Al system were studied using first-principles calculations. Four types of LPSO phases (10H, 18R, 14H, and 24R) were investigated with and without an interstitial atom in the center of the L12-type clusters. It was observed that the elastic stiffness components of the LPSO phases such as C11, C33 and C66 are closely related to the bonding distances of L12 cluster. Furthermore, the interstitial atom within the L12 cluster plays an important role in affecting the elastic stiffness constants of LPSOs, resulting in an increase of C11 and C33 due to the bonding distances of L12 cluster.",
author = "Hongyeun Kim and Wang, {William Yi} and Shang, {Shun Li} and Kecskes, {Laszlo J.} and Darling, {Kristopher A.} and Liu, {Zi Kui}",
note = "Funding Information: This work was funded by the U.S. Army Research Laboratory under contract W911NF-14-2-0084 and the National Science Foundation (NSF) through Grant No. DMR-1006557. First-principles calculations were partially performed on the Extreme Science and Engineering Discovery Environment (XSEDE), which was supported by NSF with Grant No. DMR-140063, and partially carried out on the LION clusters at the Pennsylvania State University supported by the Materials Simulation Center and the Institute for CyberScience. Funding Information: This work was funded by the U.S. Army Research Laboratory under contract W911NF-14-2-0084 and the National Science Foundation (NSF) through Grant No. DMR-1006557 . First-principles calculations were partially performed on the Extreme Science and Engineering Discovery Environment (XSEDE), which was supported by NSF with Grant No. DMR-140063 , and partially carried out on the LION clusters at the Pennsylvania State University supported by the Materials Simulation Center and the Institute for CyberScience . Publisher Copyright: {\textcopyright} 2018",
year = "2018",
month = jul,
doi = "10.1016/j.intermet.2018.04.009",
language = "English (US)",
volume = "98",
pages = "18--27",
journal = "Intermetallics",
issn = "0966-9795",
publisher = "Elsevier Limited",
}