Effect of Ordering on the Elastic Parameters of Multicomponent Ni-Based Systems

Abstract:

Ordering in Ni-based superalloys is the crucial process controlling the development of the characteristic two-phase microstructure and subsequently the mechanical properties. Disordered systems containing up to six alloying elements typical of advanced Ni-based superalloys were modelled in this work. Their ordering at elevated temperatures was simulated using a Monte Carlo approach with phenomenological Lennard-Jones pair potentials. Selected atomic configurations differing in the degree of order were subject to further studies of elastic parameters. Hydrostatic deformation and uniaxial deformation along high symmetry directions of model crystals were simulated. Molecular dynamics was used to relax local atomic positions in deformed crystals. Changes of elastic parameters due to ordering in face centred cubic lattice are discussed.

• Periodical: Materials Science Forum (Volume 482)
• Pages: 147-150
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.482.147
• Online since: April 2005
• Authors: Jiří Buršík
• Keywords: Elasticity, Monte-Carlo, Ordering, Strain

References

[1] M.J. Donachie and S.J. Donachie: Superalloys, A Technical Guide (ASM International, USA 2002).

[2] J. Gillman: Electronic Basis of the Strength of Materials (Cambridge University Press, UK 2003).

[3] W. Kohn and L.J. Sham: Phys. Rev. A 140 (1965), p.1133.

[4] P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka and J. Luitz: Wien2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties (K. Schwarz, TU Wien, Austria 2001).

[5] K. Binder and D.W. Heermann: Monte Carlo Simulation in Statistical Physics (SpringerVerlag, Heidelberg, Germany 1997).

[6] K. Kawasaki: Phys. Rev. 145 (1966), p.224.

[7] M. Enomoto and H. Harada: Metall. Trans. A 20 (1989), p.649.

[8] J.M. Cowley: J. Appl. Phys. 21 (1950), p.24.

[9] J. Buršík: J. Alloys Comp., in print.

[10] F.D. Murnaghan: Proc. Natl. Acad. Sci. USA 30 (1944), p.244.

[11] S. Socrate and D.M. Parks: Acta metal. mater. 41 (1993), p.2185.

[12] Y. Mishin: Acta mater. 52 (2004), p.1451.

[13] T. Çağın: Phys. Rev. B 59 (1999), p.3468.