期刊
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
卷 33, 期 2, 页码 433-440出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.calphad.2009.01.002
关键词
Fe-Zn; Galvanizing; Thermodynamic description; Phase diagram; Ab initio calculations
类别
资金
- Creative Research Group of National Natural Science Foundation of China [50721003]
- National Natural Science Foundation of China [50831007]
- Chinese Scholarship Council [2008637018]
- Royal Institute of Technology in Sweden
- National Science Foundation [DMR-0510180]
- Ministry of Education of China
The thermodynamic description for the Fe-Zn system was updated using CALPHAD approach. A set of self-consistent thermodynamic model parameters for this system was obtained by considering the available experimental data. Compared with the previous thermodynamic modeling, the present assessment with fewer parameters shows not only a better agreement with the experiments but also sounder physical meaning. The present CALPHAD modeling coupled with the ab initio calculations were used to predict the enthalpies of formation of the solid phases in the Fe-Zn system. (C) 2009 Elsevier Ltd. All rights reserved.
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