Atomic-scale mode separation for mixed-mode intergranular fracture in polycrystalline metals
- Authors
- Nghia Trong Mai; Phuoc Quang Phi; Vinh Phu Nguyen; Choi, Seung Tae
- Issue Date
- Aug-2018
- Publisher
- ELSEVIER SCIENCE BV
- Keywords
- Mixed-mode fracture; Molecular dynamics; Stress intensity factor; Mutual integral; Grain boundary
- Citation
- THEORETICAL AND APPLIED FRACTURE MECHANICS, v.96, pp 45 - 55
- Pages
- 11
- Journal Title
- THEORETICAL AND APPLIED FRACTURE MECHANICS
- Volume
- 96
- Start Page
- 45
- End Page
- 55
- URI
- https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/918
- DOI
- 10.1016/j.tafmec.2018.03.014
- ISSN
- 0167-8442
1872-7638
- Abstract
- In intergranular fractures, cracks tend to propagate along grain boundaries (GBs) even under mixed-mode loadings. To quantitatively characterize the mixed-mode intergranular fractures, the stress intensity factors (SIFs) of modes I and II at the crack tip need to be found individually. In this study, an atomic-scale mode separation method is developed to determine individual SIFs from the molecular dynamics (MD) simulation of the mixed-mode intergranular fracture in crystalline metals, for which the atomic-scale J-based mutual integral and asymptotic singular field (i.e., K-field) near a semi-infinite interfacial crack in an anisotropic bimaterial as an auxiliary field are used. Additionally, atomic-level J and M integrals are also performed to determine the energy release rate and the position of a crack tip under the applied mixed-mode loadings, respectively. As a model problem, the mixed-mode fracture along GBs of nickel is investigated to demonstrate that the present atomic scale mode separation method is useful to examine mixed-mode intergranular fracture behaviors of polycrystalline metals at the atomic scale.
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