• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 1997.03a
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• pp.59-62
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• 1997

Recently, quasimolecular dynamics has been successfully used to simulate the deformation characteristic of actual size material. In quasimolecular dynamics, which is an attempt to bridge the gab between atomistic and continuum simulations, molecules are aggregated into large units, called quasimolecules, to simulate the large scale material behavior. In this paper, a numerical simulation using quasimolecular dynamics has been performed to investigate the laminar composite material fracture and crack propagation behaviors in bending process of laminar composite material which is made of fictitious materials. The simulation of the bending of laminar composite material has clarified the effects of strength of material at outer surface upon the fracture behviors of the specimen.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2004.05a
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• pp.62-65
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• 2004

Recently, an approach for nanoscale deformation has been developed that couples the atomistic and continuum approaches using Finite Element Method (FEM) and Molecular Dynamics (MD). However, this approach still has problems to connect two approaches because of the difference of basic assumptions, continuum and atomistic. To solve this problem, an alternative way is developed that connects the quasimolecular dynamics (QMD) and molecular dynamics (MD). In this paper, we suggest the way to make and validate the MD-QMD coupled model.

• Journal of the Korean Society of Manufacturing Process Engineers
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• v.8 no.1
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• pp.43-47
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• 2009

Recently, an approach for nano-scale material deformation has been developed that couples the atomistic and continuum approaches using Finite Element Method (FEM) and Molecular Dynamics (MD). However, this approach still has problems to connect two approaches because of the difference of basic assumptions, continuum and atomistic modeling. To solve this problem, an alternative way is developed that connects the QuasiMolecular Dynamics (QMD) and molecular dynamics. In this paper, we suggest the way to make and validate the MD-QMD coupled model.