Abstract
The many-body potentials of TiAl alloy were constructed by empirical fitting to the properties of the L10TiAl tetragonal phase and the pressure–volume relationship. The properties and stable configurations for point defects and their aggregates, and the activation energies for vacancy migration are simulated in TiAl intermetallic compounds using molecular dynamics.
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Wang, B., Wang, T., Rong, Z. et al. Investigation of point defects in TiAl alloy. Journal of Computer-Aided Materials Design 6, 239–246 (1999). https://doi.org/10.1023/A:1008709814050
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DOI: https://doi.org/10.1023/A:1008709814050