Atomistic model for static equilibrium problems

  • Authors:

  • Y. W. Kwon;S. Jung

  • Affiliations:

  • Department of Mechanical Engineering, Naval Postgraduate School, Monterey, California;Department of Mechanical Engineering, Naval Postgraduate School, Monterey, California

  • Venue:
  • ICCST '02 Proceedings of the sixth conference on Computational structures technology
  • Year:
  • 2002

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Abstract

This paper presented a computational technique to model and simulate atomistic behaviour of materials under static loads. Interatomic potential energy was used to maintain equilibrium among atoms under loads and constraints. In addition, the atomistic model was coupled with the finite element analysis model so that more flexible loads and constraints could be applied to the atomistic model. Some example problems were presented to illustrate the developed technique. A multi-scale technique was also presented for a woven fabric composite made of carbon nanotubes.