@article{d314d1af6faa40dcb0bd09a2502d7864,
title = "Thermodynamic modeling of Mg-Ca-Ce system by combining first-principles and CALPHAD method",
abstract = "Thermodynamic assessments of the Ca-Ce and Ce-Mg binary systems were carried out by means of the CALPHAD approach complemented by first-principles calculations. The thermodynamic description for the Mg-Ca-Ce system was obtained by combining the derived databases of the Ca-Ce and Ce-Mg systems in the present work with that of the Ca-Mg system from the literature.",
author = "Hui Zhang and Yi Wang and Shunli Shang and Chen, {Long Qing} and Liu, {Zi Kui}",
note = "Funding Information: This work is funded by the National Science Foundation (NSF) through Grant Nos. DMR-0205232 and DMR-0510180 and the United States Automotive Materials Partnership (USAMP), in whole or in part, by Department of Energy Cooperative Agreement No. DE-FC05-02OR22910. First-principles calculations were carried out on the LION clusters at the Pennsylvania State University supported in part by the NSF grants (DMR-9983532, DMR-0122638 and DMR-0205232) and in part by the Materials Simulation Center and the Graduate Education and Research Services at the Pennsylvania State University. We would also like to thank Dr. Bob R. Powell at GM for his critical reading of the manuscript and Dr. Raymundo Arroyave, Dr. Tao Wang and Dr. Dongwon Shin in our Phases Research Lab for stimulating discussions. ",
year = "2008",
month = sep,
day = "8",
doi = "10.1016/j.jallcom.2007.09.020",
language = "English (US)",
volume = "463",
pages = "294--301",
journal = "Journal of Alloys and Compounds",
issn = "0925-8388",
publisher = "Elsevier BV",
number = "1-2",
}