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Thermodynamic reassessments of the Ti–Si–C/Ti–Si–N systems and thermodynamic calculations of CVD TiSiCN hard-coating based on the Ti–Si–C–N quaternary system
Affiliation:1. Hebei Key Laboratory of Advanced Materials for Transportation Engineering and Environment, School of Materials Science and Engineering, Shijiazhuang Tiedao University, Shijiazhuang, 050043, Hebei, China;2. Ganzhou Achteck Tool Technology Co,. Ltd., Ganzhou, 341000, Jiangxi, China;3. State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083, Hunan, China;1. International Institute for Innovation, Jiangxi University of Science and Technology, Nanchang, 330013, China;2. Faculty of Materials Metallurgy and Chemistry, Jiangxi University of Science and Technology, Ganzhou, 341000, China;3. Sustainable Minerals Institute, University of Queensland, Brisbane, 4072, Australia;1. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA, 16802, USA;2. Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming, 650093, China;1. State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, 410083, China;2. School of Metallurgy and Environment, Central South University, Changsha, Hunan, 410083, China;3. School of Energy and Mechanical Engineering, Hunan University of Humanities, Science and Technology, Loudi, Hunan, 417000, China;4. School of Mathematics and Statistics, Changsha University of Science and Technology, Changsha, Hunan, 410114, China
Abstract:The Ti–Si–C and Ti–Si–N systems were thermodynamically reassessed by using the CALculation of PHAse Diagram (CALPHAD) approach. A more suitable Gibbs energies expression of Ti3SiC2 was obtained to fit better with heat capacity data in the Ti–Si–C system. The thermodynamic parameters of the Ti–Si–N system were adjusted based on the revised Ti–Si system. A self-consistent thermodynamic database of the quaternary Ti–Si–C–N system was established. The calculated thermodynamic data and phase diagrams agree well with the experimental data. The CVD (Chemical Vapor Deposition) process for TiSiCN coatings was simulated using the newly evaluated thermodynamic parameters of the Ti–Si–C–N system. A good agreement between the predicted coating composition and the experimental ones was achieved, verifying the reliability of the thermodynamic database obtained in the present work.
Keywords:Thermodynamic modeling  Phase diagrams  Ti–Si–C–N system  CVD
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