Atomic study of fracture progress of Fe[110]/TMC[100] (TM = Ti, Zr and Hf) semi-coherent interfaces

Author:

Li Jinchun1,Song Hongquan1,Qian Ping1,Shen Jiang1

Affiliation:

1. Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083, China

Abstract

Using first-principle calculation in combination with the Chen–Möbius inversion method, we get the interfacial potentials of the Fe [110]/ TMC [100] ( TM = Ti , Zr and Hf ) interface system. Based on the interfacial potentials, we investigate the interfacial stability, misfit dislocations and tensile fracture of the semi-coherent interfaces of Fe [110]/ TMC [100] ( TM = Ti , Zr and Hf ). The different sizes of the misfit dislocation models are employed to compare the interfacial energy. Results indicate that Fe [110]/ HfC [100] interface is more stable than Fe [110]/ TMC [100] ( TM = Ti and Zr ). The analysis of different tensile fracture processes shows that the misfit dislocations play an important role in the fractures of interfaces between iron and transitional metal carbides.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

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