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Published in:
2020 | OriginalPaper | Chapter
Molecular Dynamics Simulation on Intergranular Crack Propagation Along ∑3 Tilt Grain Boundary in Bcc Iron
Authors : Zhifu Zhao, Zhaoye Qin, Xueping Xu, Fulei Chu
Published in: Proceedings of the 13th International Conference on Damage Assessment of Structures
Publisher: Springer Singapore
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Abstract
As the major material of most machines and structures, bcc iron has a wide application in engineering. To well understand the fracture mechanism of bcc iron at atomistic scale, this work investigates the intergranular crack propagation behavior through carrying out molecular dynamics simulation, where two models containing ∑3 \( (1\bar{1}1) \)\( [110] \) and ∑3 \( (1\bar{1}2) \)\( [110] \) tilt grain boundaries are developed, respectively. For intergranular crack propagation along ∑3 \( (1\bar{1}1) \)\( [110] \) tilt grain boundary, nucleation and extension of twinning vertical to crack plane occur at crack left tip, but fast cleavage occurs at crack right tip. For intergranular crack propagation along ∑3 \( (1\bar{1}2) \)\( [110] \) tilt grain boundary, nucleation and extension of twinning inclined to crack plane occur at crack left tip, but stacking fault and phase transition from bcc to fcc occur at crack right tip. The intergranular crack propagation along ∑3 tilt grain boundary presents strong directional anisotropy.