Molecular dynamic simulation of Ti<sub>3</sub>Al brittle fracture behavior

Liudmila I. Yakovenkova; Lidia E. Karkina

doi:10.1117/12.726719

10 April 2007 Molecular dynamic simulation of Ti₃Al brittle fracture behavior

Liudmila I. Yakovenkova, Lidia E. Karkina

Proceedings Volume 6597, Nanodesign, Technology, and Computer Simulations; 65970F (2007) https://doi.org/10.1117/12.726719
Event: Nanodesign, Technology, and Computer Simulations, 2006, Olsztyn, Poland

Abstract

The decohesion energy and the energy of unstable stacking faults for all cracking planes and dislocation slip systems observed experimentally are calculated using the molecular dynamics method with N-body interatomic potentials. A dimensionless parameter characterizing the brittle behavior of the material is calculated for basis, prism, and pyramid planes in terms of the model elaborated by Kelly et.al. and extended by Rice and Thompson. Cleavage in Ti₃A1 is due to low decohesion energy values, which facilitates cracking, and high energies of unstable stacking faults, which prevents the formation of a plastic zone and stress relaxation at its top.

Citation Download Citation

Liudmila I. Yakovenkova and Lidia E. Karkina "Molecular dynamic simulation of Ti₃Al brittle fracture behavior", Proc. SPIE 6597, Nanodesign, Technology, and Computer Simulations, 65970F (10 April 2007); https://doi.org/10.1117/12.726719

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