@article{38c0e52787e44ccfa5344b0f031b91b2,
title = "Al2(Mg,Ca) phases in Mg-Al-Ca ternary system: First-principles prediction and experimental identification",
abstract = "First-principles calculations of three Laves phase structures at Al2Ca and Al2Mg compositions predict the existence of Al2(Mg,Ca) Laves phase. To validate this prediction, a diffusion couple between Mg-30 wt.%Ca alloy and pure Al was assembled and heat-treated at 688 K for 2 weeks. From the cross section of the diffusion couple, backscatter electron microscopy coupled with electron probe microanalysis indicated the existence of Al2(Mg,Ca). Two Laves phases, i.e. C36-Al2(Mg,Ca) and C14-Al2(Mg,Ca), were identified by indexing the electron backscatter diffraction pattern with predicted lattice parameters by first-principles calculations and by diffraction analysis using transmission electron microscopy independently.",
author = "Yu Zhong and Jing Liu and Witt, {Ron A.} and Sohn, {Yong ho} and Liu, {Zi Kui}",
note = "Funding Information: This work is supported by the NSF CAREER Awards under the grant DMR-9983532 and DMR-0510180 (Liu) and DMR-0238356 (Sohn). First-principles calculations were carried out at the Materials Simulation Center (MSC) of Penn State University. FIB-INLO specimen preparation and TEM analysis were carried out at Materials Characterization Facility (MCF) of University of Central Florida. Authors would also like to express their appreciation to J. Boynes, D. Artis, L. Farlow, E. Lipe and J. Mercer participated in the diffusion couple experiments in connection with the SEEMS program (Summer Experience in Earth and Mineral Science) at Penn State, a program organized at Penn State in cooperation with the Upward Bound Math and Science Center and Drs. Carelyn E. Campbell and William J. Boettinger for providing this collaborative research opportunity with semiannual workshops entitled High Throughput Analysis of Multicomponent Multiphase Diffusion Data ( www.ctcms.nist.gov/~cecamp/Present.html ). ",
year = "2006",
month = sep,
doi = "10.1016/j.scriptamat.2006.03.068",
language = "English (US)",
volume = "55",
pages = "573--576",
journal = "Scripta Materialia",
issn = "1359-6462",
publisher = "Elsevier Limited",
number = "6",
}