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A molecular dynamics study on the biased propagation of intergranular fracture found in copper STGB

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Abstract

Structural failure of the polycrystalline material is influenced by the interaction between the crystal and their boundaries. Specifically, a ductile material such as copper exhibit the different mechanisms of failure depending on the direction of the crack propagation within the grain boundary. Such directional anisotropy is often studied based on Rice’s criteria, which has the analytic solution in the grain boundary with [110] rotation of the axis. In this work, we expand the study of such intergranular directionality to a propagation within [100] grain boundary. This work introduces the inherent bias found in the intergranular fracture of [100] grain boundaries, using molecular dynamics simulations. Later, such observation is shown to agree with the relative crack propagation velocities, and cohesive energies obtained at the crack tip vicinity. These anisotropic trends are lastly correlated with the detailed atomistic movements observed during structural failures. These findings are to be used in improving the simulation capability and predictability of crack propagation.

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Authors and Affiliations

  1. Department of Structural Engineering, University of California, San Diego, CA, 92093, USA

    Hayoung Chung

  2. Division of Multiscale Mechanical Design, School of Mechanical and Aerospace Engineering, Seoul National University, Seoul, Korea

    Maenghyo Cho

  3. Institute of Advanced Machines and Design, Seoul National University, Seoul, Korea

    Maenghyo Cho

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  1. Hayoung Chung
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  2. Maenghyo Cho
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Correspondence to Maenghyo Cho.

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Recommended by Associate Editor Seunghwa Yang

Hayoung Chung received his Ph.D. from Division of Multiscale and Mechanical Design in Mechanical and Aerospace Engineering at Seoul National University in 2017. Currently, he is a postdoctoral researcher at UC San Diego. His research interest includes multiscale mechanics and related numerical methods. Now he is pursuing multiscale topology optimization.

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Chung, H., Cho, M. A molecular dynamics study on the biased propagation of intergranular fracture found in copper STGB. J Mech Sci Technol 32, 5351–5361 (2018). https://doi.org/10.1007/s12206-018-1034-7

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  • DOI: https://doi.org/10.1007/s12206-018-1034-7

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