Crack growth in zirconium single crystal under cyclic loading: A molecular dynamics simulation

YF Zhang and DW Yuan and L Ma and BW Huang and XF Li and HQ Deng and SF Xiao and WY Hu, PHYSICS LETTERS A, 455, 128506 (2022).

DOI: 10.1016/j.physleta.2022.128506

In this work, the fatigue crack growth behavior of zirconium single crystal is studied using molecular dynamics simulations. Three typical crack models, 101 over line 0(0001), 0001(1 over line 21 over line 0) and 1 over line 21 over line 0(101 over line 0), are adopted to identify the effect of crystal orientation and temperature on crack propagation. The shear stress of the corresponding slip surface is different depending on the loading directions, which indicates the influence of the crystal orientation on the microcosmic mechanism of crack propagation. According to our calculation, the crack fracture caused by the blunting and void is the fastest, while the emission of dislocation causes the slowest crack growth.(c) 2022 Elsevier B.V. All rights reserved.

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