Influence of orientation on crack propagation of aluminum by molecular dynamics

Lei Ma (), Yufei Deng, Ying Ren and Wangyu Hu
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Lei Ma: Hunan University of Arts and Science
Yufei Deng: Hunan University of Arts and Science
Ying Ren: Hunan University of Arts and Science
Wangyu Hu: Hunan University

The European Physical Journal B: Condensed Matter and Complex Systems, 2022, vol. 95, issue 2, 1-5

Abstract: Abstract The crack growth behavior of single crystal aluminum is investigated under tensile test at room temperature by molecular dynamics simulations. Three crack models are selected, which are [001](010) crack, ( $$\overline{1}$$ 1 ¯ 10)[110] crack and [11 $$\overline{2}$$ 2 ¯ ](111) crack. The results present that the mechanical properties and deformation mechanisms are significantly influenced by the orientation of initial crack. The [ $$\overline{1}$$ 1 ¯ 10] (110) crack has the maximum yield strength, the [11 $$\overline{2}$$ 2 ¯ ] (111) crack has the maximum elastic modulus. The [001](010) crack propagates in the form of micro-cracks and shows ductility fracture, and the main deformation mechanisms are blunting and slip bands at crack tip. The ( $$\overline{1}$$ 1 ¯ 10)[110] crack evolves into a void with the loading increasing, presents ductile extension, and the slip bands divide the crystal structure into mesh region. For (111) [11 $$\overline{2}$$ 2 ¯ ] crack, it has very good toughness and ductility and can effectively reduce structural damage caused by crack propagation. Graphical abstract The initial models of crack. (a) [001](010) crack, (b) [110] (110) crack (c) [11 2] (111) crack

Date: 2022
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DOI: 10.1140/epjb/s10051-022-00285-1

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