Chapter 87. A Multiscale Atomistic-Continuum Modeling Via Qc Finite Element Mesh Superposition Method

  1. Waltraud M. Kriven and
  2. Hua-Tay Lin
  1. Yoshihiko Hangai and
  2. Nobuhiro Yoshikawa

Published Online: 27 MAR 2008

DOI: 10.1002/9780470294802.ch87

27th Annual Cocoa Beach Conference on Advanced Ceramics and Composites: A: Ceramic Engineering and Science Proceedings, Volume 24, Issue 3

27th Annual Cocoa Beach Conference on Advanced Ceramics and Composites: A: Ceramic Engineering and Science Proceedings, Volume 24, Issue 3

How to Cite

Hangai, Y. and Yoshikawa, N. (2003) A Multiscale Atomistic-Continuum Modeling Via Qc Finite Element Mesh Superposition Method, in 27th Annual Cocoa Beach Conference on Advanced Ceramics and Composites: A: Ceramic Engineering and Science Proceedings, Volume 24, Issue 3 (eds W. M. Kriven and H.-T. Lin), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470294802.ch87

Author Information

  1. The University of Tokyo 4-6-1 Komaba Meguro-ku, Tokyo, 153-8505 Japan

Publication History

  1. Published Online: 27 MAR 2008
  2. Published Print: 1 JAN 2003

ISBN Information

Print ISBN: 9780470375839

Online ISBN: 9780470294802

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Keywords:

  • magnetic materials;
  • nano-magnetic films;
  • silicon dioxide layer;
  • saturation magnetization;
  • lesker super system i11

Summary

A multiscale modeling from micromechanics to macromechanics is investigated on the basis of quasicontinuum atomistic approach for interface fracture problems in association with coatings. in the quasicontinuum method, the atomistic region is discretized by finite elements, and the position of atom is prescribed in terms of the nodal displacements of the elements with the shape functions. Total energy of the system is represented by an interatomic potential, and minimized through variational method of conventional finite element formulation. We believe the manner of finite element discretization, that is, the dimension of the element affects the result of the analysis. This study consists of several quasicontinuum simulations of the fracture behavior around a crack tip to find adequate discretization manner in use of quasicontinuum method. We conclude that an atomistic quasicontinuum region, which is discretized by the fmest elements, should be extended to at least 15 atoms distance from the crack tip.