Introducing Solute Drag in Irregular Cellular Automata Modeling of Grain Growth


Article Preview

In this paper we discuss the principles of a combined approach to solve the problem of solute drag as it occurs in microstructure evolution processes such as grain growth, recrystallization and phase transformation. A recently developed irregular grid cellular automaton is used to simulate normal grain growth, in which the energy of the grain boundaries is the driving force. A new, discrete diffusion model is used to simulate solute segregation to the grain boundaries. The local concentration of the solute is then taken into account in the calculation of the local grain boundary mobility and/or grain boundary energy, thereby constituting a drag force. The relation between solute concentration and grain boundary mobility/energy is derived from molecular dynamics simulations.



Materials Science Forum (Volumes 467-470)

Edited by:

B. Bacroix, J.H. Driver, R. Le Gall, Cl. Maurice, R. Penelle, H. Réglé and L. Tabourot




K. G.F. Janssens et al., "Introducing Solute Drag in Irregular Cellular Automata Modeling of Grain Growth ", Materials Science Forum, Vols. 467-470, pp. 1045-1050, 2004

Online since:

October 2004




[1] J. E. Burke and D. Turnbull (1952) Recrystallization and Grain Growth, Prog. Metal Phys. Vol. 3 pp.220-292.

[2] R. W. Cahn (2002) Nature Materials Vol. 1 pp.3-4.

[3] P. -R. Cha, S. G. Kim, D. -H. Yeon and J. -K. Yoon (2002) A phase field model for the solute drag on moving grain boundaries, Acta Mater. Vol. 50 pp.3817-3829.


[4] J. Crank (2003) The mathematics of diffusion, second edition, Oxford University Press, p.47.

[5] F. J. Humphreys and M. Hatherly (1996) Recrystallization and related annealing phenomena, Pergamon Elsevier.

[6] K. G. F. Janssens (2003a) Three Dimensional, Space-Time Coupled Cellular Automata for the Simulation of Recrystallization and Grain Growth, Modelling Simul. Mater. Sci. Eng. Vol. 11 No. 2 pp.157-171.


[7] W. F. Smith (1981) Structure and Properties of Engineering Alloys, McGraw-Hill Book Company, New York.

[8] T. P. Swiler, V. Tikare and E.A. Holm (1997) Mater. Sci. Eng. A Vol. 238 p.85.

[9] J. Zhu, L. -Q. Chen, J. Chen and V. Tikare (2001) Microstructure dependence of diffusional transport, Computational Materials Science Vol. 20 pp.37-47. This article was processed using the LATEX macro package with TTP style.