Mechanical and thermodynamic properties study of Al-based binary and ternary solid solutions using the pseudoatomic potential method
| Autor: | Yanzhou Wang, Yanjing Su, Ping Qian, Chunlin Ji, Kai Wang, Jin-Rong Huo |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
010302 applied physics
Nial Materials science Mechanical Engineering Transition temperature Metals and Alloys Thermodynamics FEAL Potential method 02 engineering and technology General Chemistry 021001 nanoscience & nanotechnology 01 natural sciences Mechanics of Materials Impurity Lattice (order) 0103 physical sciences Materials Chemistry 0210 nano-technology Ternary operation computer computer.programming_language Solid solution |
| Zdroj: | Intermetallics. 126:106931 |
| ISSN: | 0966-9795 |
| DOI: | 10.1016/j.intermet.2020.106931 |
| Popis: | In this paper, by means of the lattice inversion method, we obtain the pseudoatomic potentials of Al-based binary solid solutions (NiAl, FeAl, and CoAl). A linear relationship between the site occupation disorder degree θ and the temperature T of the system was established to achieve the computational characterization of the partially disordered state of the solid solution and obtain the order-disorder transition temperature of the NiAl, FeAl, and CoAl binary solid solutions. Then, the mechanical and thermodynamic properties were calculated. Through the incorporation of ternary impurities, the pseudoatomic potentials of the ternary solid solution were obtained, and the ternary solid solution structure was constructed to improve the inherent defects of the binary solid solution in terms of the mechanical properties. The results of this paper are of great significance for the study of the mechanical and thermodynamic properties of binary and ternary solid solution systems. |
| Databáze: | OpenAIRE |
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