5. Atomistic Modeling Methods

  1. Mark F. Horstemeyer

Published Online: 11 JUN 2012

DOI: 10.1002/9781118342664.ch5

Integrated Computational Materials Engineering (ICME) for Metals: Using Multiscale Modeling to Invigorate Engineering Design with Science

Integrated Computational Materials Engineering (ICME) for Metals: Using Multiscale Modeling to Invigorate Engineering Design with Science

How to Cite

Horstemeyer, M. F. (2012) Atomistic Modeling Methods, in Integrated Computational Materials Engineering (ICME) for Metals: Using Multiscale Modeling to Invigorate Engineering Design with Science, John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118342664.ch5

Publication History

  1. Published Online: 11 JUN 2012
  2. Published Print: 13 JUL 2012

ISBN Information

Print ISBN: 9781118022528

Online ISBN: 9781118342664

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Keywords:

  • atomistic modeling methods;
  • material modeling at atomistic level, and modeling techniques;
  • atomistic simulations, accurate interaction potentials in computing total energy;
  • upscaling bridges from atomistic level, to the continuum and DD levels;
  • metals and EAM, with metal plasticity as the key

Summary

This chapter contains sections titled:

  • EAM Potentials

  • MEAM Potentials

  • Upscaling: Bridging the Atomic Level to the Dislocation Density Level and the Continuum Level

  • Summary

  • References