Journal
ENGINEERING FRACTURE MECHANICS
Volume 150, Issue -, Pages 197-208Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.engfracmech.2015.03.028
Keywords
Penny-shaped crack; Semi-brittle fracture; Twinning; Cross-slip; Molecular dynamics simulation
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Funding
- German Science Foundation (DFG) [SPP 1466, HO 2187/6-2]
- Cluster of Excellence 'Engineering of Advanced Materials' at the Friedrich-Alexander-Universitat Erlangen-Nurnberg (FAU) - DFG within the framework of its 'Excellence Initiative'
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Atomic-scale fracture processes are traditionally investigated in quasi-2D models of straight, infinite cracks. This approach neglects crack front curvature effects, which might be particularly important for nanoscale crack nuclei in semi-brittle materials. Here we use 3D atomistic simulations to study penny-shaped cracks in body-centered cubic metals. Our results show extensive crack tip plasticity initiated by deformation twinning and followed by emission of screw dislocations which cross-slip along the crack front. Together with the interactions of dislocations and/or twins that are nucleated at differently oriented parts of the crack, these processes determine the fracture behavior of highly curved nanoscale cracks. (C) 2015 Elsevier Ltd. All rights reserved.
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