TY  - EJOU
AU  - Matsumoto, R.  
AU  - Nakagaki, M.  
AU  - Nakatani, A.  
AU  - Kitagawa, H.  

TI  - Molecular-dynamics Study on Crack Growth Behavior Relevant to Crystal Nucleation in Amorphous Metal
T2  - Computer Modeling in Engineering \& Sciences

PY  - 2005
VL  - 9
IS  - 1
SN  - 1526-1506

AB  - 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.
KW  - Molecular dynamics
KW  -  amorphous
KW  -  crystallization
KW  -  nano-metal
KW  -  fracture mechanics
KW  -  deformation mechanism
KW  -  nano-crystal

DO  - 10.3970/cmes.2005.009.075