On the effect of inclination dependence of grain boundary energy on grain boundary migration in Al bicrystals

DA Molodov and JE Brandenburg and LA Barrales-Mora and S Tsurekawa, JOURNAL OF MATERIALS SCIENCE, 60, 20646-20661 (2025).

DOI: 10.1007/s10853-025-10898-3

The results of experimental and atomistic simulation studies performed over the recent decades to determine the influence of the inclination anisotropy of grain boundary energy on the migration of grain boundaries under capillary force are briefly reviewed and discussed. The migration behavior of low angle < 100 >\documentclass12ptminimal \usepackageamsmath \usepackagewasysym \usepackageamsfonts \usepackageamssymb \usepackageamsbsy \usepackagemathrsfs \usepackageupgreek \setlength\oddsidemargin-69pt \begindocument$$\langle 100\rangle$$\enddocument tilt and mixed tilt-twist grain boundaries as well as of different grain boundaries with misorientations close to the Sigma 3 CSL orientation relationship was investigated in high-purity Al bicrystals. An in-situ technique was used for observing and measuring grain boundary migration and shape. The experiments were accompanied by molecular statics simulations to compute the structure and energy of the boundaries having a similar geometry to those examined in the experiments. 2D vertex modeling as well as molecular dynamics simulations were applied to evaluate the effect of inclinational energy anisotropy on grain shape evolution and grain growth kinetics. In contrast to pure tilt boundaries, which remain straight in their original position or form immobile facets during annealing and therefore cannot move, the mixed low angle boundaries were found to readily assume a continuously curved shape and move steadily under the capillary force. Furthermore, the capability of nearly Sigma 3 60 degrees < 111 >\documentclass12ptminimal \usepackageamsmath \usepackagewasysym \usepackageamsfonts \usepackageamssymb \usepackageamsbsy \usepackagemathrsfs \usepackageupgreek \setlength\oddsidemargin-69pt \begindocument$$\langle 111\rangle$$\enddocument incoherent 110 and 112 twin boundaries to migrate during annealing was found to depend crucially on their initial inclination. The experimentally observed behavior of the examined boundaries is discussed in terms of the inclination dependence of grain boundary energy as revealed by atomistic simulations.

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