Calculation of the parameters of stability for the iron-chromium fcc solid solutions using the results of first-principles simulation

Physics of Metals and Metallography

Volumn 103, Issue 1, 2007, Pages 83-87

  Mirzoev, A A ^a   Yalalov, M M ^a   Mirzaev, D A ^a  

^a SOUTH URAL STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMIUM; COMPUTER SIMULATION; GAMMA RAYS; IRON; THERMODYNAMIC PROPERTIES;

FIRST-PRINCIPLES SIMULATIONS; THERMODYNAMIC FUNCTIONS;

SOLID SOLUTIONS;

EID: 33846655489     PISSN: 0031918X     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0031918X07010115     Document Type: Article

References (17)

1. A. A. Mirzoev, M. M. Yalalov, and D. A. Mirzaev, "Calculation of the Energy of Mixing for the Fe-Cr Alloys by the First-Principles Methods of Computer Simulation," Fiz. Met. Metalloved. 97 (4), 11-16 (2004)
2. [Phys. Met. Metallogr. 97, 336-341 (2004)].
3. G. Kirchner, T. Nishizawa, and B. Uhrenius, "The Distribution of Chromium between Ferrite and Austenite and Thermodynamics of α/γ Equilibrium in the Fe-Cr and Fe-Mn Systems," Metall. Trans. 4 (1), 167-174 (1973).
4. D. A. Mirzaev and A. G. Taizetdinova, "The Thermodynamics of γ-α Equilibrium in Fe-Mn Alloys," Izv. Akad. Nauk SSSR, Met., No. 4, 136-143 (1981).
5. V. A. Korablev, A. I. Kabes, and T. D. Nakorneeva, "Distribution of Chromium Atoms in an Iron-Based Solid Solution after Martensitic α → γ Transformation," in Heat Treatment and Physics of Metals (UPI, Sverdlovsk, 1987), No. 12, pp. 36-40 [in Russian].
6. I. N. Bogachev and V. F. Ergolaev, Structure and Properties of Iron-Manganese Alloys (Metallurgiya, Moscow, 1973) [in Russian].
7. P. Olsson, I. A. Abricosov, L. Vitos, and J. Wallenius, "Ab initio Formation Energies of Fe-Cr Alloys," J. Nucl. Mater. 321, 84 (2003).
8. L. Kaufman and H. Nesor, "Calculation of the Binary Phase Diagrams of Iron, Chromium, Nickel and Cobalt," Z. Metallkd. 64, 248 (1973).
9. A. G. Lesnik, Models of Interatomic Interaction in Statistical Theory of Metals (Fizmatgiz, Moscow, 1962) [in Russian].
10. M. Hansen and K. Anderko, Constitution of Binary Alloys (McGraw-Hill, New York, 1958; Metallurgizdat, Moscow, 1962).
11. I. F. Bredis and L. Kaufman, "Formation of HCP and BCC Phases in Austenitic Iron Alloys," Metall. Trans. 2 (9), 2359-2362 (1971).
12. J. Chipman, "Thermodynamics of the α → γ Transformation in Fe-Cr Alloys," Metall. Trans. 5, 521-523 (1974).
13. M. Cerny, J. Pokluda, M. Sob, et al., "Ab initio Calculation of Elastic and Magnetic Properties of Fe, Co, Ni and Cr Crystals under Isotropic Deformation," Phys. Rev. B: Condens. Matter Mater. Phys. 67, 035116 (2003).
14. L. Kaufman and H. Bernstein, Computer Calculation of Phase Diagrams (Academic, New York, 1970; Mir, Moscow, 1972).
15. E. N. Mazandarany and R. D. Peheke, "Thermodynamic Properties of Solid Alloys of Chromium with Nickel and Iron," Metall. Trans. 4 (9), 2067-2076 (1973).
16. R. Kolhaas and M. Braun, "Die thermodynamischen Function des reinen Eisens Warmeeinhalt und spezifische Warme austenitischer Eisenlegierungen und Stahle," Arch. Eisenhuttenwes. 455 (5), 391-399 (1963).
17. J. O. Andersson and B. Sundman, "Thermodynamic Properties of the Cr-Fe System," Calphad 11 (1), 83-92 (1987).