A Theoretical Study of the Effects of Alloying Elements on the Cleavage Strength and Formability of TiAl

  1. Prof. Yves Bréchet
  1. Y. Song1,2,
  2. Z. X. Guo2,*,
  3. R. Yang2 and
  4. D. Li2

Published Online: 19 DEC 2005

DOI: 10.1002/3527606157.ch30

Microstructures, Mechanical Properties and Processes - Computer Simulation and Modelling, Volume 3

Microstructures, Mechanical Properties and Processes - Computer Simulation and Modelling, Volume 3

How to Cite

Song, Y., Guo, Z. X., Yang, R. and Li, D. (2000) A Theoretical Study of the Effects of Alloying Elements on the Cleavage Strength and Formability of TiAl, in Microstructures, Mechanical Properties and Processes - Computer Simulation and Modelling, Volume 3 (ed Y. Bréchet), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527606157.ch30

Editor Information

  1. Institut Nat. Polytechnique de Grenoble, L.T.P.-C.M. ENSEEG, BP75, Domaine Universitaires, 38402 Saint Martin D'Hères Cedex, France; Tel.: 0033–76–82 6610; Fax: 0033–76–82 6644

Author Information

  1. 1

    Department of Materials, Queen Mary, University of London, London E1 4NS, UK

  2. 2

    Titanium Alloy Laboratory, Institute of Metal Research, CAS, Shenyang 110015, China

*Tel:++44 -20–7882–5569; Fax:++44–20–7882–9804;

Publication History

  1. Published Online: 19 DEC 2005
  2. Published Print: 20 APR 2000

Book Series:

  1. EUROMAT 99

ISBN Information

Print ISBN: 9783527301225

Online ISBN: 9783527606153

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Keywords:

  • microstructures;
  • computer simulation;
  • mechanical properties;
  • effects of alloying elements on the cleavage strength and formability of TiAl

Summary

The electronic structure and the binding energy of a number of TiAl-X alloy systems (X = V, Cr, Mn, or Si) were calculated using the discrete variational cluster method. The influence of alloying elements on the cleavage strength and the formability of TiAl was investigated under an atomistically uniaxial loading assumption that only involves deformation along the c axis. The simulated results showed that both the cleavage strength and the formability of TiAl depended on the type of substitution of the alloying atoms in TiAl. The 3d transition atoms V, Cr, and Mn, enhance the cleavage strength and the formability of TiAl due to more d-electrons contributing to the d-d bonding. Whereas the Al and Si atoms reduce the cleavage strength and the formability of TiAl owing to the existence of a relatively strong hybridization between the p and d electrons.