Thermodynamic modeling of Mg-Ca-Ce system by combining first-principles and CALPHAD method

被引：19
|
作者：
Zhang, Hui [1 ]
Wang, Yi [1 ]
Shang, Shunli [1 ]
Chen, Long-Qing [1 ]
Liu, Zi-Kui [1 ]
机构：
[1] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 2008年 / 463卷 / 1-2期
基金：
美国国家科学基金会;
关键词：
Mg-Ca-Ce; phase equilibrium; first-principles; CALPHAD;
D O I：
10.1016/j.jallcom.2007.09.020
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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. (C) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码：294 / 301
页数：8
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