Heriot-Watt Mathematics Report Series
HWM97-7, February 1997

A phase-field model for diffusion-induced grain boundary motion

J W Cahn, P Fife and O Penrose


Abstract

We model diffusion-induced grain motion (DIGM) with a pair of differential equations,

eqnarray3

Here u represents the concentration of solute atoms, tex2html_wrap_inline17 takes the values +1 and -1 in the two perfect crystal grains and intermediate values in the boundary between them, tex2html_wrap_inline23 , tex2html_wrap_inline25 and tex2html_wrap_inline27 are constants characterizing the material, tex2html_wrap_inline29 is an interaction energy density, and the diffusivity tex2html_wrap_inline31 is large in the grain boundary tex2html_wrap_inline33 but zero in the grains tex2html_wrap_inline35 . The model is thermodynamically consistent, being derivable from a free energy functional. The aim of the work is to understand what interactions tex2html_wrap_inline29 can or cannot account for the observed results.

For small tex2html_wrap_inline27 the speed of travelling wave solutions can be calculated approximately using a successive approximations scheme. The results indicate that the simple interaction, tex2html_wrap_inline41 , corresponding to differing solubility in the grain boundary and in the bulk crystal, cannot explain all the observed data. An interaction modelling the elastic coherency strain energy is also considered, and its consequences are consistent with the observed features of DIGM in nearly all cases. The same interaction also provides possible mechanisms for the initiation of DIGM and for liquid film migration.

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