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Abstract

Titanium aluminides are among the favorite candidates for structural intermetallics for high-temperature applications because of their high strength and low density. Yet, the ductility and fracture strength of these materials still has to be improved. To gain a better understanding of the underlying deformation mechanisms in two-phase TiAl/Ti₃Al lamellar microstructures, we have carried out atomistic studies using ab-initio Density Functional Theory (DFT) and Molecular Dynamics (MD) approaches.