Abstract
Recently, quasimolecular dynamics has been successfully used to simulate the deformation characteristics of solid materials in actual size material. In quasimolecular dynamics, which is an attempt to bridge the gap between atomistic and continuum simulations, molecules are aggregated into large units, called quasimolecules, to evaluate the large scale material behavior.
In this paper, a 2-dimensional numerical approach using quasimolecular dynamics has been performed to simulate the crack initiation and propagation behavior of a Cu-plate subjected to uniform bending. The bending simulation of the Cu-plate has clarified the effects of aspect ratio and the existence of surface imperfection upon the fracture behavior of the specimen.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Decelis, B., Argon, A. S. and Yip, S., 1983, “Molecular Dynamics Simulation of Crack Tip Processes in Alpha-iron And Copper,”J. Appl. Phys., Vol. 54, pp. 4864–4878.
Izumi, S. and Katake, S., 1993, “Molecular Dynamic Study of Solid Deformation,”Trans. JSME. Vol. A59, pp. 263–267.
Inoue, H., Akahoshi, Y., Harada, S. and Chobara, H., 1995, “Molecular Dynamies Simulation of Temperature Dependent Tensile Fracture of Nanoscale Polycrystal”Trans. JSME., Vol. A61, pp. 1813–1818.
Isono, Y. and Tanaka, T., 1996, “Three-Dimensional Molecular Dynamics Simulation of Atomic Scale Cutting Process Using Pin Tool,”Trans. JSME., Vol. A62, pp. 2364–2371.
Kitagawa, H., Nakatani, A. and Shibutani, Y., 1993, “Study on Computational Modelling for Materials with Crystalline Structure,”Trans. JSME., Vol. A59, pp. 1834–1841.
Greenspan, D., 1986, “Quasi Molecular Particle Modeling of Crack Generation and Fracture,”Computers and Structures., Vol. 22, pp. 1055–1061.
Greenspan, D., 1989, “Supercomputer Simulation of Cracks and Fractures by Quasimolecular Dynamics,”J. Phys. Chem. Solids., Vol. 50, pp. 1245–1249.
Ashurst, W. T. and Hoover, W. G., 1976, “Microscopic Fracture Studies in the Two-Dimensional Trianglar Lattice,”Physcal Review, B14, pp. 1465–1473.
Choi, D and Ryu, H., 1996, “A computer Simulation of Fractures of Metallic Solids,”Proc. KSME Spring Conf. in Korea, pp. 102–106.
Kim, Y. and Park, J., 1996, “Analysis of Metallic Solid Fracture by Quasimolecular Dynamic,”Proc. the 47th JSTP Joint Conf. pp. 457–458.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Kim, Ys., Park, Jy. Molecular dynamics simulation for microfracture behavior of material. KSME International Journal 12, 388–395 (1998). https://doi.org/10.1007/BF02946353
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF02946353