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Atomic simulations to evaluate effects of stacking fault energy on interactions between edge dislocation and spherical void in face-centred cubic metals
Authors:K Doihara  M Itakura  M Aichi  K Suzuki
Institution:1. School of Engineering, University of Tokyo , Tokyo, Japan;2. Center for Computational Science &3. e-Systems, Japan Atomic Energy Agency , Kashiwa, Japan;4. Graduate School of Frontier Sciences, University of Tokyo , Kashiwa, Japan;5. Research into Artifacts, Center for Engineering, University of Tokyo , Kashiwa, Japan
Abstract:In this study, molecular dynamics simulations were performed to elucidate the effects of stacking fault energy (SFE) on the physical interactions between an edge dislocation and a spherical void in the crystal structure of face-centred cubic metals at various temperatures and for different void sizes. Four different types of interaction morphologies were observed, in which (1) two partial dislocations detached from the void separately, and the maximum stress corresponded to the detachment of the trailing partial; (2) two partial dislocations detached from the void separately, and the maximum stress corresponded to the detachment of the leading partial; (3) the partial dislocations detached from the void almost simultaneously without jog formation; and (4) the partial dislocations detached from the void almost simultaneously with jog formation. With an increase in void size or SFE, the interaction morphology changed in the above-mentioned order. It was observed that the magnitude of the critical resolved shear stress (CRSS) and its dependence on the SFE were determined by these interaction morphologies. The value of the CRSS in the case of interaction morphology (1) is almost equal to an analytical one based on the linear elasticity by employing the Burgers vector of a single partial dislocation. The maximum value of the CRSS is also obtained by the analytical model with the Burgers vector of the two partial dislocations.
Keywords:Molecular dynamics  irradiation effects  partial dislocation  irradiation hardening  austenitic stainless steel
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