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

作者：Li, Jinchun^*; Song, Hongquan; Qian, Ping; Shen, Jiang

来源：Modern Physics Letters B, 2014, 28(24): 1450192.

DOI：10.1142/S0217984914501929

• Interfaces
• interfacial potential
• misfit dislocation
• fracture mechanism

Using first-principle calculation in combination with the Chen-Mobius 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.

• 出版日期2014-9-20
• 单位北京科技大学