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Thermodynamic calculation of phase diagrams for Al-C-X（X=Mo，Nb，Ta，V）
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Chuang SHI, Xin XIA, Weibin ZHANG, Weili WANG, Guifang HAN, Hongyu GONG, Jingde ZHANG
Journal of Materials Engineering | 2025, 53(12) : 200 - 207
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Journal of Materials Engineering | 2025, 53(12): 200-207
• RESEARCH ARTICLE •
Thermodynamic calculation of phase diagrams for Al-C-X（X=Mo，Nb，Ta，V）
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Chuang SHI, Xin XIA, Weibin ZHANG, Weili WANG, Guifang HAN, Hongyu GONG, Jingde ZHANG
Affiliations
  • Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials （Ministry of Education），Shandong University，Jinan 250061，China
Published: 2025-12-20 doi: 10.11868/j.issn.1001-4381.2023.000668
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The Al-C-X（X=Mo，Nb，Ta，V） systems are studied by CALPHAD （calculation of phase diagrams） coupled with first-principles calculations. Two ternary phases，Ta5Al3C and Ta2AlC are identified in the Al-C-Ta system. All of the other three systems exist only one stable ternary phase， Mo3Al2C for Al-C-Mo， Nb2AlC for Al-C-Nb， and V2AlC for Al-C-V， respectively. The enthalpies of formation of these compounds are obtained by First-principles calculations， and their Gibbs free energies are presented by stoichiometric models. Finally， a series of self-consistent thermodynamic parameters are derived by CALPHAD method. The optimized isothermal sections and thermodynamic properties are in good agreement with experimental and computational results. The Al-C-X （X=Mo，Nb，Ta，V） systems assessed in this work can help to establish a thermodynamic database of hard alloys with precipitation strengthening bonding phases， which will be used to guide the design of new materials with excellent properties.

phase diagram  /  thermodynamics  /  CALPHAD  /  first-principles calculations
石闯, 夏新, 张伟彬, 王伟礼, 韩桂芳, 龚红宇, 张景德. Al-C-X（X=Mo，Nb，Ta，V）的相图热力学计算. 材料工程, 2025 , 53 (12) : 200 -207 . DOI: 10.11868/j.issn.1001-4381.2023.000668
Chuang SHI, Xin XIA, Weibin ZHANG, Weili WANG, Guifang HAN, Hongyu GONG, Jingde ZHANG. Thermodynamic calculation of phase diagrams for Al-C-X（X=Mo，Nb，Ta，V）[J]. Journal of Materials Engineering, 2025 , 53 (12) : 200 -207 . DOI: 10.11868/j.issn.1001-4381.2023.000668
Appendix
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Year 2025 volume 53 Issue 12
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Article Info
doi: 10.11868/j.issn.1001-4381.2023.000668
  • Receive Date：2023-10-08
  • Online Date：2026-10-26
  • Published：2025-12-20
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  • Received：2023-10-08
  • Accepted：2024-09-19
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Affiliations
    Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials （Ministry of Education），Shandong University，Jinan 250061，China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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