CALPHAD/first-principles re-modeling of the Co-Y binary system

Journal of Alloys and Compounds

Volumn 407, Issue 1-2, 2006, Pages 193-200

  Golumbfskie, William ^a   Liu, Zi Kui ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

First principles calculation; Intermetallics; Thermodynamic modeling

Indexed keywords

ENTHALPY; INTERMETALLICS; MAGNETIC PROPERTIES; THERMODYNAMIC PROPERTIES; YTTRIUM;

FIRST-PRINCIPLES CALCULATION; THERMOCALC SOFTWARE; THERMODYNAMIC MODELING;

COBALT;

EID: 29244448012     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2005.06.037     Document Type: Article

References (38)

1. A. Inoue, N. Natsumoto, and T. Masumoto Mater. Trans., JIM 31 1990 493 500
2. Z. Du, W. Zhang, and L. Zhao Rare Met. 15 1996 185 190
3. Z. Du, and D. Lu J. Alloys Compd. 373 2004 171 178
4. B. Jansson, Trita-Mac-0234, 1984.
5. B. Sundman, B. Jansson, and J.-O. Andersson CALPHAD 9 1985 153 190
6. C.H. Wu, Y.C. Chuang, and X.P. Su Z. Metallkd. 82 1991 73 79
7. P.R. Subramanian, and J.F. Smith Metall. Trans. A 16A 1985 1195 1201
8. K.J. Strnat, W. Ostertag, N.J. Adams, and J.C. Olson Proceedings of the Fifth Rare Earth Research Conference, vol. 5 Ames, IA 1965 67 76
9. J. Pelleg, and O.N. Carlson J. Less-Common Met. 9 1965 281 289
10. Y. Khan Z. Metallkd. 65 1974 489 495
11. A.K. Grover, B.R. Coles, V.B. Sarkissian, and H.E.N. Stone J. Less-Common Met. 86 1982 29 36
12. K.H.J. Buschow Phillips Res. Rep. 26 1971 49 64
13. Y. Khan Acta Crystallogr. B29 1973 2502 2507
14. H. Okamoto J. Phase Equilibr. 13 1992 326 328
15. A.K. Niessen, F.R. de Boer, R. Boom, P.F. de Chatel, W.C.M. Mattens, and A.R. Miedema CALPHAD 7 1983 51 70
16. O.Y. Sidorov, M.G. Valishev, A.F. Ermakov, Y.O. Esin, and P.V. Gel'd Zhurnal Fizicheskoi Khimii 63 1989 1123 1124
17. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133 A1138
18. G. Kresse, and D. Joubert Phys. Rev. B: Cond. Matter 59 1999 1758
19. G. Kresse, VASP, Vienna Ab-initio Package Simulation, 2004. http://cms.mpi.univie.ac.at/vasp/.
20. P.E. Blöchl Phys. Rev. B: Cond. Matter 50 1994 17953
21. Y. Wang, S. Curtarolo, C. Jiang, R. Arroyave, T. Wang, G. Ceder, L.Q. Chen, and Z.K. Liu CALPHAD: Comput. Coupling Phase Diag. Thermochem. 28 2004 79 90
22. A.T. Dinsdale CALPHAD 15 1991 317 425
23. O. Redlich, and A.T. Kister Ind. Eng. Chem. 40 1948 345 348
24. M. Hillert, and M. Jarl CALPHAD 2 1978 227 238
25. J. Schweizer, and F. Tasset Mater. Res. Bull. 4 1969 369 376
26. W. Ostertag Acta Crystallogr. 19 1965 150 151
27. O.S. Zarechnyuk, and P.I. Kripyakevich Dop. Akad. Nauk Ukr. RSR 12 1964 1593 1595
28. I. Ansara, N. Dupin, H.L. Lukas, and B. Sundman P. Nash B. Sundaman Applications of Thermodynamics in the Synthesis and Processing of Materials 1994 Rosemont USA
29. C.H. Wu, and Y.C. Chuang J. Phase Equilibr. 12 1991 587 592
30. T.B. Massalski Binary Alloy Phase Diagrams, vol. 1, 2nd ed. 1990 ASM International
31. J.H. Wernick, and S. Geller Acta Crystallogr. 12 1959 662 665
32. J.F. Smith, D.A. Hansen, USAEC IS-900, 1964, pp. M75-M77.
33. K. Nassau, L.V. Cherry, and W.E. Wallace J. Phys. Chem. Solids 16 1960 123 130
34. Y.N. Grin, R.E. Gladyshevskii, A.N. Sobolev, and Y.P. Yarmolyuk Sov. Phys. Crystallogr. 29 1984 531 533
35. C. Berthet-Colominas, J. Laforest, R. Lemaire, R. Pauthenet, and J. Schweizer Cobalt 39 1968 83 87
36. J.M. Moreau, D. Paccard, and E. Parthe Acta Crystallogr. B 32 1976 496 500
37. K.H.J. Buschow Z. Metallkd. 57 1966 728 731
38. K.A. Gschneidner, F.W. Calderwood, Handbook on the Physics and Chemistry of Rare Earths, vol. 8, North-Holland Physics Publishing, Amsterdam, 1986, pp. 1-161.