Journal of the Korean Society of Manufacturing Process Engineers (한국기계가공학회지)

The Korean Society of Manufacturing Process Engineers (한국기계가공학회)
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A New Approach of Multi-Scale Simulation for Investigating Nano-Scale Material Deformation Behavior

나노스케일 재료 변형 거동을 위한 새로운 멀티스케일 접근법

  • Park, Junyoung (School of Mechanical Engineering, Kumoh National Institute of Technology)
  • Received : 2009.03.03
  • Accepted : 2009.03.28
  • Published : 2009.03.30
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Abstract

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.

Keywords

References

  1. E. Weinan, and Z. Huang, "A dynamic atomistic-continuum method for the simulation of crystalline materials," J. Comp. Phys., Vol.182, pp.234-261, 2002. https://doi.org/10.1006/jcph.2002.7164
  2. J.Q. Broughton, F.F. Abraham, N. Bernstein, and E. Kaxiras, "Concurrent coupling of length scales: Methodology and application," Phy. Rev. B, Vol. 60(4), pp. 2391-2403, 1999. https://doi.org/10.1103/PhysRevB.60.2391
  3. E.B. Tadmor, M. Ortiz, and R. Philips, "Quasicontinuum analysis of defects in crystals," Philos. Mag., Vol.A73, pp.1529-1539, 1996.
  4. H.S. Park, E.G. Karpov, and W.K. Liu, "The bridging scale for two-dimensional atomistic/continuum coupling," in press.
  5. Izumi, T. Kawakami, and S. Sakai, "Study of a combined FEM-MD method for silicon," Int. J. JSME, Vol.44A, pp.152-159, 2001.
  6. D. Greenspan, "Quasi-molecular, particle modeling of crack generation and fracture," Comput. Struct., Vol.22(6), pp 1055-1061, 1986. https://doi.org/10.1016/0045-7949(86)90165-3
  7. D. Choi and H. Ryu, "A computer simulation of fractures of metallic solids," Proc. KSME Spring Conf. pp.102-106, 1996.
  8. Y. Kim and J. Park, "Analysis of bending fracture propagation of laminar composite materials using quasi-molecular dynamics," Int. J. KSME, Vol. 12(6), pp. 1026-1033, 1998. https://doi.org/10.1007/BF02942576