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MM: Fachverband Metall- und Materialphysik
MM 29: Poster II
MM 29.19: Poster
Dienstag, 19. März 2024, 17:00–19:00, Poster B
Defects in magnesium and its alloys by atomistic simulation — •Hexin Wang1, Julien Guénolé2, Sandra Korte-Kerzel1, Talal Al-Samman1, and Zhuocheng Xie1 — 1Institut für Metallkunde und Materialphysik, RWTH Aachen University, Aachen D-52056, Germany — 2Université de Lorraine, CNRS, Arts et Métiers, LEM3, Metz 57070, France
The properties of dislocation and grain boundaries in magnesium and its alloys were assessed by atomistic simulations employing various semi-empirical potentials. These results were compared with available experimental data and first-principles calculations. The mechanisms of <c> dislocation climb in Mg under c-axis tensile strain were investigated and correlated with the in-situ experimental observations. For grain boundary segregation, a strong correlation between the per-site segregation energies of alloying elements and the excess free volumes at grain boundaries was identified. The outcomes of this study provide insights into texture modification to inform the design of ductile magnesium alloys.
Keywords: atomistic simulation; magnesium; grain boundary; dislocations; solute segregation