Embedded-atom interatomic potentials and simulation of planar defects in intermetallic Ti3Al

Ludmila I. Yakovenkova; Vladislav V. Kirsanov; Lidia E. Karkina; Maria Ya. Rabovskaya; Aleksandr N. Balashov

doi:10.1117/12.347413

5 May 1999 Embedded-atom interatomic potentials and simulation of planar defects in intermetallic Ti₃Al

Ludmila I. Yakovenkova, Vladislav V. Kirsanov, Lidia E. Karkina, Maria Ya. Rabovskaya, Aleksandr N. Balashov

Proceedings Volume 3687, International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (1999) https://doi.org/10.1117/12.347413
Event: International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 1998, St. Petersburg, Russian Federation

Abstract

Semiempirical potentials for DO₁₉ type Ti₃Al are derived with use of the modified embedded atom method formalism. The potential function is determined by using the measured lattice constants sublimation energies, elastic constants and vacancy formation energy. The potentials are used to calculate the antiphase boundary energies and (gamma) - surfaces in a basal, prism and pyramid planes.

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Ludmila I. Yakovenkova, Vladislav V. Kirsanov, Lidia E. Karkina, Maria Ya. Rabovskaya, and Aleksandr N. Balashov "Embedded-atom interatomic potentials and simulation of planar defects in intermetallic Ti₃Al", Proc. SPIE 3687, International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (5 May 1999); https://doi.org/10.1117/12.347413

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