Atomistic study on mixed-mode fracture mechanisms of ferrite iron interacting with coherent copper and nickel nanoclusters
- Authors
- Al-Motasem, Ahmed Tamer; Mai, Nghia Trong; Choi, Seung Tae; Posselt, Matthias
- Issue Date
- Apr-2016
- Publisher
- ELSEVIER SCIENCE BV
- Keywords
- Mixed-mode fracture; Molecular statics; Fracture mechanism; Nanoclusters
- Citation
- JOURNAL OF NUCLEAR MATERIALS, v.472, pp 20 - 27
- Pages
- 8
- Journal Title
- JOURNAL OF NUCLEAR MATERIALS
- Volume
- 472
- Start Page
- 20
- End Page
- 27
- URI
- https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/7031
- DOI
- 10.1016/j.jnucmat.2015.12.046
- ISSN
- 0022-3115
1873-4820
- Abstract
- 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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