Journal
JOURNAL OF NUCLEAR MATERIALS
Volume 472, Issue -, Pages 20-27Publisher
ELSEVIER
DOI: 10.1016/j.jnucmat.2015.12.046
Keywords
Mixed-mode fracture; Molecular statics; Fracture mechanism; Nanoclusters
Funding
- National Research Foundation of Korea (NRF) - Ministry of Education [2013R1A1A2059484]
- National Research Foundation of Korea [2013R1A1A2059484] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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The effect of copper and/or nickel nanoclusters, generally formed by neutron irradiation, on fracture mechanisms of ferrite iron was investigated by using molecular statics simulation. The equilibrium configuration of nanoclusters was obtained by using a combination of an on-lattice annealing based on Metropolis Monte Carlo method and an off-lattice relaxation by molecular dynamics simulation. Residual stress distributions near the nanoclusters were also calculated, since compressive or tensile residual stresses may retard or accelerate, respectively, the propagation of a crack running into a nanocluster. One of the nanoclusters was located in front of a straight crack in ferrite iron with a body-centered cubic crystal structure. Two crystallographic directions, of which the crack plane and crack front direction are (010)[001] and (111)[(1) over bar 10], were considered, representing cleavage and non-cleavage orientations in ferrite iron, respectively. Displacements corresponding to pure opening-mode and mixed-mode loadings were imposed on the boundary region and the energy minimization was performed. It was observed that the fracture mechanisms of ferrite iron under the pure opening-mode loading are strongly influenced by the presence of nanoclusters, while under the mixed-mode loading the nanoclusters have no significant effect on the crack propagation behavior of ferrite iron. (C) 2016 Elsevier B.V. All rights reserved.
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