Thermodynamic Evaluation of the Co-Al-C System by Coupling Ab Initio Calculations and CALPHAD Approach |
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| Authors: | Weisen Zheng Shuang He Jingya Wang Huahai Mao |
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| Affiliation: | 1.Department of Materials Science and Engineering,KTH Royal Institute of Technology,Stockholm,Sweden;2.School of Materials Science and Engineering,Hunan University,Changsha,People’s Republic of China;3.IMDEA Materials Institute,Getafe,Spain;4.Thermo-Calc Software AB,Solna,Sweden |
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| Abstract: | The ternary Co-Al-C system was thermodynamically assessed using the CALPHAD method based on the critical review of all experimental information in the system. The κ-carbide was described with a three-sublattice model (Al,Co)3(Al,Co)1(C,Va)1. To support the assessment, the enthalpies of formation of all end-members of the κ-carbide were studied by ab initio calculations. The solubility ranges of the carbon in the κ-carbide, the αCo and the AlCo (B2) phases were well reproduced. The equilibria involving the liquid phase were reasonably described using the present set of thermodynamic parameters. |
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