First-principles phase stability calculations of L12, DO 22 and DO23 structures in Al-TM(=Ti,Zr,Hf)-Zn systems

Proceedings of an International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2005

Volumn 2, Issue , 2005, Pages 651-656

  Ghosh, G ^a   Van De Walle, A ^a   Asta, M ^a  

^a Northwestern University   (United States)

Author keywords

Ab initio; Aluminum alloys; Elastic properties; Intermetallics; Phase stability

Indexed keywords

APPROXIMATION THEORY; ELASTIC MODULI; INTERMETALLICS; PROBABILITY DENSITY FUNCTION; SUPERLATTICES; THERMODYNAMIC STABILITY;

AB INITIO; ELASTIC PROPERTIES; PHASE STABILITY; SUPERCELLS;

ALUMINUM ALLOYS;

EID: 33645221816     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (16)

1. M.Y. Drits, L.B. Ber, Y.G. Bykov, L.S. Toropova and G.K. Anastasyeva, Fiz. Met, Metallov., 57 (1984)1172-1179.
2. D.N. Seidman, E.A. Marquis EA and D.C. Dunand, Acta Mater. 50 (2002) 4021-4035.
3. M.S. Zedalis and M.E. Fine, Metall. Trans. A, 17A (1986) 2187-2198.
4. V.R. Parameswaran, J.R. Weertman and M.E. Fine, Scripta Met., 23 (1989) 147-150.
5. Y. Nakayama and H. Mabuchi, Intermetallics. 1 (1993) 41-48.
6. A. Raman and Schubert, Z. Metallkde., 56 (1965) 40-43.
7. G. Kresse and J. Furthmuller, Phys. Rev. B, 54 (1996) 11169;
8. Comput. Mater, Sci., 6 (1996) 15.
9. J.P. Perdew and Y. Wang, Phys. Rev. B, 45 (1992) 13244-13249.
10. G. Ghosh and M, Asta, Acta Mater,. 53 (2005) 3225-3252.
11. A. van de Walle and G. Ceder, J. Phase Equilibria, 23 (2002) 348-359.
12. P.D. Tbpesch, G.D, Garbulsky and G. Ceder, Phys. Rev. Lett., 74 (1995) 2272-2275.
13. G. Ceder, A. van der Ven, C. Marianetti, and D. Morgan, Model. Simul. Mater, Sci. Eng., 8 (2000) 311-321.
14. Binary Alloy Phase Diagrams, Ed. by T.B. Massalski, P.R. Subramanian, H. Okamoto, and L. Kacprzak, Materials Park, OH, ASM international, (1990) 2127-2128, 3539-3542.
15. M.J. Mehl, B.M. Klein and A. Papaconstatopolous, Intermetallic Compounds: Vol 1, Principles, Ed, by J.H Westbrook and R.L. Fleischer, John Wiley Sons, NY, (1994) 195-210.
16. D.C. Wallace, Thermodynamics of Crystals, Wiley, New York, (1972).