Interaction between deformation twins and γ/γ interfaces in TiAl alloys: atomistic simulation study

T Yuan and SY Ma and N He and LL He and ZQ Yang and CL Chen, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 33, 085010 (2025).

DOI: 10.1088/1361-651X/ae18ec

Deformation twins significantly influence the plastic deformation of TiAl alloys. However, it is difficult to obtain full information about the interaction between deformation twins and interfaces through the most advanced experimental methods. Here, we analyzed the interaction between deformation twins and three distinct gamma/gamma interfaces (true twin, 120 degrees rotational twin, and pseudo twin) using classic molecular dynamics simulation. The simulations indicate that the activated slip systems vary across the three distinct gamma/gamma interfaces under two different tension loading directions. The Schmid factors corresponding to these slip systems were calculated, and they consist well with the operative slip systems in gamma-TiAl. The simulation further shows that type-I intersection occurs under the interface-perpendicular tensile loading, while type-II intersection occurs under the interface-parallel tensile loading. These results offer distinct perspectives on the plastic deformation modes involving deformation twinning in TiAl alloys, which can help us understand the relationships between microstructure and mechanical properties and enable us to design and optimize the performance of TiAl alloys.

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