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
Cited by
1 articles.
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