Thermodynamic optimization of the Co-Zr system

被引：35
作者：
Durga, A. [1 ]
Kumar, K. C. Hari [1 ]
机构：
[1] Indian Inst Technol, Dept Met & Mat Engn, Madras 600036, Tamil Nadu, India
来源：
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2010年 / 34卷 / 02期
关键词：
Calphad; Optimization; Cobalt; Zirconium; Ab initio; Phase diagram; DIRECT REACTION CALORIMETRY; REGULAR SOLUTION MODEL; MAGNETIC-PROPERTIES; PHASE-DIAGRAM; ALLOYS; ENTHALPIES; TEMPERATURE; HF; FE; NI;
D O I：
10.1016/j.calphad.2010.02.006
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
The constitutional and thermochemical information of the Co-Zr system is modelled using the Calphad method to obtain a reliable thermodynamic description of the system. Appropriate sublattice models are chosen to describe the Gibbs energy of all stable phases of the system. The Gibbs energies of the disordered BCC_A2 and the ordered CoZr (BCC_B2) are coupled using the order-disorder model within the framework of sublattice formalism. Results from ab initio calculations are used to aid the optimization of Gibbs energy descriptions of CoZr3, CoZr2, and BCC_B2 phases. Calculated phase diagram and thermochemical data are compared with the experimental data. (C) 2010 Elsevier Ltd. All rights reserved.
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页码：200 / 205
页数：6
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