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A Study of Compression Deformation Behavior of γ/α2 Interface in γ(TiAl) Alloy Using Molecular Dynamics Simulation

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Abstract

From a material design perspective, interface structures affected the mechanical performance of materials. However, the effects of different types of interface structures on the mechanical properties of TiAl/Ti3Al interfaces had not been quantified. In this research work, we used the molecular dynamics (MD) method to simulate the compressive deformation process of the γ(TiAl)/α2(Ti3Al) interface. The results indicated that the γ(TiAl)/α2(Ti3Al) semi-coherent interface had better mechanical properties. The fracture mechanism of the semi-coherent interface was different from that of the coherent interface. By analyzing the movement of dislocations during the compression deformation process of the γ(TiAl)/α2(Ti3Al) coherent interface, the ripple dislocations were found to increase, and to be connected to each other to form a kink band, thus causing stress concentration, and eventually, material fracture. In the process of compression fracture of the γ(TiAl)/α2(Ti3Al) semi-coherent interface, the lattice distortion areas at the interface were used as dislocation nucleation points to produce dislocations on both sides of the interface. The interface hindered the propagation of dislocations and absorbed the dislocations. It also played a role in improving the strength of the material. Temperature had little effect on the fracture mechanism of the γ(TiAl)/α2(Ti3Al) interfaces.

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Acknowledgments

This work was supported by National Natural Science Foundation of China (No. 51871012), Bei**g Natural Science Foundation (No. 2162024), Fundamental Research Funds for the Central Universities (No. FRF-GF-19-023B), and National Program on Key Basic Research Project (973 Program) (No. 2011CB605502).

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  1. State Key Laboratory for Advanced Metals and Materials, University of Science and Technology, Bei**g, Bei**g, 100083, China

    Jiyao Liu & Laiqi Zhang

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Liu, J., Zhang, L. A Study of Compression Deformation Behavior of γ/α2 Interface in γ(TiAl) Alloy Using Molecular Dynamics Simulation. J. of Materi Eng and Perform 33, 483–495 (2024). https://doi.org/10.1007/s11665-023-07984-5

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