Density Functional Theory Based Calculations of Site Occupancy in the Gamma Prime Ni3al Phase of Nickel Based Super Alloys

  1. John Allison,
  2. Peter Collins and
  3. George Spanos
  1. Mrunalkumar Chaudhari1,
  2. Jincheng Du1,
  3. Jaimie Tiley2 and
  4. Rajarshi Banerjee1

Published Online: 7 SEP 2011

DOI: 10.1002/9781118147726.ch20

Proceedings of the 1st World Congress on Integrated Computational Materials Engineering (ICME)

Proceedings of the 1st World Congress on Integrated Computational Materials Engineering (ICME)

How to Cite

Chaudhari, M., Du, J., Tiley, J. and Banerjee, R. (2011) Density Functional Theory Based Calculations of Site Occupancy in the Gamma Prime Ni3al Phase of Nickel Based Super Alloys, in Proceedings of the 1st World Congress on Integrated Computational Materials Engineering (ICME) (eds J. Allison, P. Collins and G. Spanos), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118147726.ch20

Author Information

  1. 1

    Department of Materials Science and Engineering, University of North Texas, Denton, TX

  2. 2

    Air Force Research Laboratory, Wright Patterson Air Force Base, OH

Publication History

  1. Published Online: 7 SEP 2011
  2. Published Print: 5 JUL 2011

ISBN Information

Print ISBN: 9780470943199

Online ISBN: 9781118147726

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Keywords:

  • density functional theory based;
  • calculations;
  • site occupancy;
  • nickel based;
  • super alloys

Summary

This chapter contains sections titled:

  • Introduction

  • Simulation details

  • Results

  • Discussion

  • Conclusions