A new method for predicting dislocation emission of grain boundary in bicrystal Mg

JP Ma and L Yuan and YX Duan and DB Shan and B Guo, JOURNAL OF MATERIALS SCIENCE, 58, 15219-15231 (2023).

DOI: 10.1007/s10853-023-08965-8

Due to its high volume percentage, the grain boundary seriously influences the strength and plasticity of nanocrystal materials. Whereas, predicting the onset of plasticity from the equilibrium grain boundary is an unsolved challenge, as the lack of an efficient method to accurately predict the dislocation emission of the grain boundary. Here, by analyzing the stress vector triangle of the intrinsic interfacial stress vector and the applied external stress vector, the dislocation emission of 21 over bar 1 over bar \documentclass12ptminimal \usepackageamsmath \usepackagewasysym \usepackageamsfonts \usepackageamssymb \usepackageamsbsy \usepackagemathrsfs \usepackageupgreek \setlength\oddsidemargin-69pt \begindocument$$\bar1 \bar1 $$\enddocument0 asymmetrical tilt grain boundary (ATGB) in bicrystals Mg can be accurately predicted. The distribution of the stress vector at equilibrium 21 over bar 1 over bar \documentclass12ptminimal \usepackageamsmath \usepackagewasysym \usepackageamsfonts \usepackageamssymb \usepackageamsbsy \usepackagemathrsfs \usepackageupgreek \setlength\oddsidemargin-69pt \begindocument$$\bar1 \bar1 $$\enddocument0 ATGB was obtained via the dislocation analysis method. The atomic simulation results show that the dislocation emission behaviors of 21 over bar 1 over bar \documentclass12ptminimal \usepackageamsmath \usepackagewasysym \usepackageamsfonts \usepackageamssymb \usepackageamsbsy \usepackagemathrsfs \usepackageupgreek \setlength\oddsidemargin-69pt \begindocument$$\bar1 \bar1 $$\enddocument0 ATGB with various tilt angles are consistent with the analytical results of the stress vector triangle. The presented method helps researchers design high- plasticity metallic materials via grain boundary engineering.

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