Steel–Ab Initio: Quantum Mechanics Guided Design of New Fe-Based Materials

  1. Mei Li,
  2. Carelyn Campbell,
  3. Katsuyo Thornton,
  4. Elizabeth Holm and
  5. Peter Gumbsch
  1. Ulrich Prahl1,
  2. Wolfgang Bleck1 and
  3. Alireza Saeed-Akbari1,2

Published Online: 12 JUL 2013

DOI: 10.1002/9781118767061.ch6

2 World Congress on Integrated Computational Materials Engineering

2 World Congress on Integrated Computational Materials Engineering

How to Cite

Prahl, U., Bleck, W. and Saeed-Akbari, A. (2013) Steel–Ab Initio: Quantum Mechanics Guided Design of New Fe-Based Materials, in 2 World Congress on Integrated Computational Materials Engineering (eds M. Li, C. Campbell, K. Thornton, E. Holm and P. Gumbsch), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118767061.ch6

Author Information

  1. 1

    Institute of Ferrous Metallurgy, RWTH Aachen University, Aachen, Germany

  2. 2

    Department of Materials, ETH Zurich, Zurich, Switzerland

Publication History

  1. Published Online: 12 JUL 2013
  2. Published Print: 21 JUN 2013

ISBN Information

Print ISBN: 9781118766897

Online ISBN: 9781118767061

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Keywords:

  • ab initio modeling;
  • deformation mechanisms;
  • strain hardening;
  • knowledge-based steel design

Summary

This chapter contains sections titled:

  • Introduction

  • Materials

  • Deformation Mechanisms in Low SFE Regime

  • Material Modeling and Simulation

  • Conclusions

  • Acknowledgements