First-principles calculations and phenomenological modeling of lattice misfit in Ni-base superalloys

Materials Science and Engineering: A

Volumn 431, Issue 1-2, 2006, Pages 196-200

  Wang, Tao ^a   Chen, Long Qing ^a   Liu, Zi Kui ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

First principles calculation; Lattice misfit; Ni base superalloys; Phase field simulation

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTAL LATTICES; DISLOCATIONS (CRYSTALS); MORPHOLOGY; SUPERALLOYS;

FIRST-PRINCIPLES CALCULATION; LATTICE MISFIT; PHASE-FIELD SIMULATION;

NICKEL ALLOYS;

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTAL LATTICES; DISLOCATIONS (CRYSTALS); MORPHOLOGY; NICKEL ALLOYS; SUPERALLOYS;

EID: 33746636087     PISSN: 09215093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.msea.2006.05.152     Document Type: Article

References (17)

1. Bruckner U., Epishin A., Link T., and Dressel K. Mater. Sci. Eng. A 247 (1998) 23-31
2. Volkl R., Glatzel U., and Feller-Kniepmeier M. Acta Mater. 46 (1998) 4395-4404
3. Wang T., Zhu J.Z., Mackay R.A., Chen L.Q., and Liu Z.K. Metall. Mater. Trans. A 35A (2004) 2313-2321
4. Kresse G., and Hafner J. Phys. Rev. B 48 (1993) 13115-13118
5. Perdew J.P. In: Ziesche P., and Eschrig H. (Eds). Electronic Structure of Solids (1991), Akademie Verlag, Berlin
6. Jones R.O., and Gunnarsson O. Rev. Mod. Phys. 61 (1989) 689
7. Lindbaum A., Hafner J., Gratz E., and Heathman S. J. Phys.: Condens. Mater. 10 (1998) 2933-2945
8. Lindbaum A., Hafner J., and Gratz E. J. Phys.: Condens. Mater. 11 (1999) 1177-1187
9. G. Kresse, J. Furthmuller, VASP the GUIDE, http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html.
10. Wang Y., Liu Z.K., and Chen L.Q. Acta Mater. 52 (2004) 2665-2671
11. Kamara A.B., Ardell A.J., and Wagner C.N.J. Metall. Mater. Trans. A 27 (1996) 2888-2896
12. Dupin N., Ansara I., and Sundman B. Calphad 25 (2001) 279-298
13. Zhou S.H., Wang Y., Zhu J.Z., Wang T., Chen L.Q., MacKay R.A., and Liu Z.K. Superalloys (2004) 969-975
14. Phillips V.A. Acta Metall. Mater. 14 (1966) 1533-1547
15. Conley J.G., Fine M.E., and Weertman J.R. Acta Metall. Mater. 37 (1989) 1251-1263
16. Fahrmann M., Fratzl P., Paris O., Fahrmann E., and Johnson W.C. Acta Metall. Mater. 43 (1995) 1007-1022
17. Zhu J.Z., Wang T., Ardell A.J., Zhou S.H., Liu Z.K., and Chen L.Q. Acta Mater. 52 (2004) 2837-2845