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The effect of large range Be addition (0–20.83at.% Be) on the lattice distortion as well as dislocation mobility in TiAl was examined by density functional theory (DFT) calculations. The calculation of the formation energy showed that Be obviously decreases the phase stability. The shearing energy barrier of the TiAl alloys with Be solute is weakened by stages during the static shear deformation process...
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