Atomistic Simulation of Pipe Diffusion in AlCu Alloys

Abstract:

Activation energies for solute diffusion along dislocations are difficult to measure experimentally. The aim of this work is to provide insight into pipe diffusion with the help of atomistic simulations. The distribution of vacancy formation energy and the activation energy for copper migration are determined in the core of an edge dislocation in aluminum. The Dimer method is used to find activation energies for vacancy migration. The activated region around the dislocation where a very high diffusivity is observed and the activation energy for copper diffusion associated with this region are interpreted with regard to the contribution of the dislocation and the contribution of the alloying.

• Periodical: Defect and Diffusion Forum (Volume 249)
• Pages: 47-54
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.249.47
• Online since: January 2006
• Authors: E. Jannot, Volker Mohles, Günter Gottstein, B. Thijsse
• Keywords: Al-Cu Alloys, Dimer Method, Dislocation, Pipe Diffusion, Simulation

References

[1] R.W. Balluffi: Phys. Stat. Sol. Vol. 42 (1970), p.11.

[2] X. -Y. Liu, C. -L. Liu and L.J. Borucki: Acta Mater. Vol. 47 No. 11 (1999), p.3227.

[3] Q.F. Fang and R. Wang: Phys. Rev. B Vol. 62. (2000), p.9317.

[4] R.G. Hoagland, A.F. Voter and S.M. Foiles: Scripta Mater. Vol. 39 (1998), p.589.

[5] J. Huang, M. Meyer and V. Pontikis: J. Phys. III Vol. 1 (1991), p.867.

[6] J. Marian, B.D. Wirth, G.R. Odette and J.M. Perlado: Comp. Mat. Sci. Vol. 31 (2004), p.347.

[7] R.C. Picu and D. Zhang: Acta Mater. Vol. 52 (2004), p.161.

[8] M.R. Sørensen, Y. Mishin and A.F. Voter: Phys. Rev. B Vol. 62 (2000), p.3658.

[9] J.R. Fernández and al.: Phil. Mag. A Vol. 80 (2000), p.1349.

[10] G. Henkelman and H. Jónsson: J. Chem. Phys. Vol. 111 (1999), p.7010.

[11] C.P. Flynn: Point Defects and Diffusion (Clarendon Press Oxford, 1972).

[12] F. Ercolessi and J.B. Adams: Europhys. Lett. Vol. 26 (1994), p.583.

[13] G. Neumann and C. Tuijn: Impurity Diffusion in metals (Solid State Phenomena, Scitec Publications, Vol. 88, 2002).

DOI: 10.4028/www.scientific.net/ssp.88.121

[14] Y. Du and al.: Mat. Sci. Eng. A Vol. 363 (2003), p.140.

[15] J.P. Hirth and J. Lothe: Theory of Dislocations (Krieger Publishing Company, London 1992).

[16] A.P. Sutton and R.W. Balluffi: Interfaces in Crystalline Materials (Oxford Science Publications, Oxford 1995).

[17] T.E. Volin, K.H. Lie and R.W. Balluffi: Acta Metall. Vol. 19 (1971).