Chapter 8. Non-Nearest Neighbor MD Boundary Condition

  1. Wing Kam Liu1,
  2. Eduard G. Karpov1 and
  3. Harold S. Park2

Published Online: 16 MAY 2006

DOI: 10.1002/0470034106.ch8

Nano Mechanics and Materials: Theory, Multiscale Methods and Applications

Nano Mechanics and Materials: Theory, Multiscale Methods and Applications

How to Cite

Liu, W. K., Karpov, E. G. and Park, H. S. (2006) Non-Nearest Neighbor MD Boundary Condition, in Nano Mechanics and Materials: Theory, Multiscale Methods and Applications, John Wiley & Sons, Ltd, Chichester, UK. doi: 10.1002/0470034106.ch8

Author Information

  1. 1

    Northwestern University, Illinois, USA

  2. 2

    Vanderbilt University, Tennessee, USA

Publication History

  1. Published Online: 16 MAY 2006
  2. Published Print: 13 JAN 2006

ISBN Information

Print ISBN: 9780470018514

Online ISBN: 9780470034101

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Keywords:

  • non-nearest neighbor interactions;
  • shift theorem;
  • finite element interpolation functions;
  • inverse Laplace transform;
  • arbitrary crystal structures;
  • arbitrary interatomic potentials;
  • bridging scale perspectives;
  • force boundary condition

Summary

This chapter contains sections titled:

  • Introduction

  • Theoretical Formulation in 3D

  • Numerical Examples: 1D Wave Propagation

  • Time-History Kernels for FCC Gold

  • Conclusion for the Bridging Scale Method