Thermodynamic reassessment of the Ni-Ru system and assessment of the Al-Ni-Ru system at 1273-1523 K using ab initio calculations

Acta Materialia

Volumn 56, Issue 15, 2008, Pages 4062-4069

  Hallström, Samuel ^a   Andersson, David ^a   Ruban, Andrei ^a   Ågren, John ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Ab initio electron theory; CALPHAD; Enthalpy of formation; Intermetallics; Thermodynamics

Indexed keywords

ALUMINUM; ARSENIC COMPOUNDS; CALORIMETRY; GALLIUM ALLOYS; GRAPHIC METHODS; NICKEL ALLOYS; PARAMETER ESTIMATION; PHASE DIAGRAMS; SOLUBILITY; SUGAR (SUCROSE); TERNARY SYSTEMS;

AB INITIO; AB INITIO APPROACH; AB INITIO CALCULATIONS; B2 PHASE; BODY-CENTERED-CUBIC (BCC); CALORIMETRIC MEASUREMENTS; CALPHAD; COMPOUND ENERGY FORMALISM (CEF); FACE-CENTERED CUBIC (FCC); HIGHER TEMPERATURES; ISOTHERMAL SECTIONS; MISCIBILITY GAPS; REASONABLE AGREEMENT;

NICKEL;

EID: 48449083486     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2008.04.028     Document Type: Article

References (36)

1. Hallström S. J Phase Equilib Diff 25 3 (2004) 252-254
2. Ansara I., Dupin N., Lukas H.L., and Sundman B. J Alloy Compd 247 (1997) 20-30
3. Dupin N., and Ansara I. Z Metallkd 90 1 (1999) 76-85
4. Dupin N, Sundman B. JEEP Lyon. France; 2003.
5. Prins S.N., Cornish L.A., Stumpf W.E., and Sundman B. Calphad 27 1 (2003) 79-90
6. Raub E., and Menzel D. Z Metallkd 52 (1961) 831-833 [in German]
7. Kornilov I.I., and Myasnikova K.P. Russ Metallur Min 4 (1964) 95-101
8. Tryon B, Pollock TM. MSE Dept at the University of Michigan, unpublished research.
9. Vitos L., Skriver H., Johansson B., and Kollar J. Comp Mat Sci 18 (2000) 24-38
10. Vitos L. Phys Rev B 64 (2001) 014107
11. Vitos L., Abrikosov I.A., and Johansson B. Phys Rev Lett 87 (2001) 156401
12. Kohn W., and Sham L. Phys Rev 40 (1965) A1133-A1138
13. Perdew J.P., and Wang Y. Phys Rev B 45 (1992) 13244-13249
14. Perdew J.P., Burke K., and Ernzerhof M. Phys Rev Lett 77 (1996) 3865-3868
15. Vitos L., Johansson B., Kollár J., and Skriver H.L. Phys Rev B 62 (2000) 10046-10050
16. Ducastelle F., and Gautier F. J Phys F: Metal Phys 6 (1976) 2039
17. Ruban A.V., Shalcross S., Simak S.I., and Skriver H.L. Phys Rev B 70 (2004) 125115
18. Kresse G., and Hafner J. Phys Rev B 48 (1993) 13115-13118
19. Kresse G., and Furthmüller J. Comp Mater Sci 6 (1996) 15-50
20. Kresse G., and Furthmüller J. Phys Rev B 54 (1996) 11169-11186
21. Kresse G., and Joubert D. Phys Rev B 59 (1999) 1758-1775
22. Blöchl P.E. Phys Rev B 50 (1994) 17953-17979
23. Methfessel M., and Paxton A.T. Phys Rev B 40 (1989) 3616-3621
24. Tsurikov V.F., Sokolovskaya E.M., and Kazakova E.F. Vestnik Moskovskogo Univ Khim 35 (1980) 113
25. Petrovoj L.A. In: Ageeva N.W. (Ed). Diagrammy sostoyaniya metallicheskikh system vol. 30 (1985), Nauka Publishers, Moscow 323
26. Chakravorty S., and West D.R.F. Scripta Metall Mater 19 (1985) 1355-1360
27. Chakravorty S., and West D.R.F. J Mater Sci 21 (1986) 2721-2730
28. Horner I.J., Cornish L.A., and Witcomb M.J. J Alloy Compd 256 (1997) 213-220
29. Liu K.W., Mücklich F., Pitschke W., Birringer R., and Wetzig K. Mater Sci Eng A 313 (2001) 1-2 187-197
30. Vjunitsky I., Schonfeld E., Kaiser T., Steurer W., and Shklover V. Intermetallics 13 1 (2005) 35-45
31. Su H.-N., and Nash P. J Alloy Compd 403 (2005) 1-2 217-222
32. Tryon B., and Pollock T.M. Mater Sci Eng A 430 (2006) 1-2 266-276
33. Kusoffsky A., Dupin N., and Sundman B. Calphad 25 4 (2001) 549-565
34. Dinsdale A.T. Calphad 15 4 (1991) 317-425
35. Sundman B., Fries S.G., and Oates W.A. Calphad 22 3 (1998) 335-354
36. Hu R., and Nash P. J Mater Sci 40 (2005) 1067-1069