Atomistic simulation of failure mechanism for α-Fe with central crack under uniaxial tensile and fatigue loading
YUAN Yuquan1， ZENG Xiangguo2, HU Yanfei1
(1 School of Science, Sichuan University of Science & Engineering, Zigong 643000, Sichuan, China; 2 College of Architecture and Environment, Sichuan University, Chengdu 610065, Sichuan, China)
Abstract:
Molecular dynamics simulation is performed for the failure mechanism for α-Fe with (010)\[101\] centered pre-crack defect under uniaxial tensile and fatigue loading. The results show that the failure mechanism under uniaxial tensile loading is a process with crack blunting, stacking faults and twins formation. While under fatigue loading, the failure mechanism is twins deformation based, coupled with dislocation, partial dislocation, stacking faults.Furthermore the twin deformation occurs easier than the dislocation emission in \[11-1\](-121) slip system. The study indicate that the deformation and failure process of α-Fe with crack defect is a complicated process, which is the result that many mechanisms act together, such as dislocation, stacking faults, twin and phase transition.
KeyWords:
molecular dynamics simulation; central crack; α-Fe; tension; fatigue
