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# Molecular-dynamics Study on Crack Growth Behavior Relevant to Crystal Nucleation in Amorphous Metal

R. Matsumoto1, M. Nakagaki1, A. Nakatani2, H. Kitagawa3
Department of Mechanical Information Engineering, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology 680-4 Kawazu, Iizuka-City, Fukuoka 820-8502, Japan
Department of Adaptive Machine Systems, Graduate School of Engineering, Osaka University 2-1 Yamada-Oka, Suita-City, Osaka 565-0871, Japan
Department of Energy and Mechanical Engineering, Faculty of Engineering, Doshisha University, 1-3 Tatara Tsudani, Kyotanabe-City, Kyoto 610-0394, Japan

Computer Modeling in Engineering & Sciences 2005, 9(1), 75-84. https://doi.org/10.3970/cmes.2005.009.075

### Abstract

In this paper, the internal structure-changes around the crack-tip and the pertinent crack growth behavior in an amorphous metal were studied by a molecular dynamics (MD) simulation. In order to perform a large scale calculation, the domain decomposition method was used for parallel calculation. The Finnis-Sinclair potential for$\alpha$-iron was used to describe the interatomic potential. Computed results show that nano-scaled crystalline phase grows around the crack-tip. The distribution of deformation zones and deformation mechanism are significantly altered. While grains are relatively small, they are not deformed, and the most amorphous-crystal interfaces have a large strain for phase transition. The emission of dislocations from the near crack-tip is observed after the crystal phase covered the crack-tip surfaces. Although CTOD obtained from MD analysis agrees to Dugdale's model very well during the amorphous state, the crack opening behavior changes remarkably after the crystallization.

### Keywords

Molecular dynamics, amorphous, crystallization, nano-metal, fracture mechanics, deformation mechanism, nano-crystal

Matsumoto, R., Nakagaki, M., Nakatani, A., Kitagawa, H. (2005). Molecular-dynamics Study on Crack Growth Behavior Relevant to Crystal Nucleation in Amorphous Metal. CMES-Computer Modeling in Engineering & Sciences, 9(1), 75–84.

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