Tensile behavior of gamma/alpha(2) interface system in lamellar TiAl alloy via molecular dynamics

W Li and YJ Yin and Q Xu and JX Zhou and H Nan and XY Ji and X Shen and X Feng and W Yu and ZX Tu and N Pang, COMPUTATIONAL MATERIALS SCIENCE, 159, 397-402 (2019).

DOI: 10.1016/j.commatsci.2018.12.043

The deformability and strength of lamellar two-phase (gamma and alpha(2)) TiAl intermetallic based alloy strongly depends on the lamellar interfaces in such microstructure. Molecular dynamics simulations are conducted to investigate the mechanical response and the underlying deformation mechanism of two-phase TiAl intermetallic with gamma/alpha(2) interface. Uniaxial tensile loading is applied along three different directions under "free" and "constrained" boundary conditions respectively. The evolution of dislocations and cracks has been investigated in atomic scale. The results show that the stress- strain relation exhibits strong anisotropy. Meanwhile, the dominant failure mode is plastic deformation under free boundary condition while fracture under constrained boundary condition. Moreover, the phase interface can act as dislocation source or crack source under different boundary conditions.

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