Molecular dynamics simulations to quantify the interaction of a rigid and impenetrable precipitate with an edge dislocation in Cu

Tsugawa, Kiyoto*; Hayakawa, Sho*; Iwase, Yuki*; Okita, Taira*; Suzuki, Katsuyuki*; Itakura, Mitsuhiro; Aichi, Masaatsu*

Computational Materials Science, 210, p.111450_1 - 111450_9, 2022/07

https://doi.org/10.1016/j.commatsci.2022.111450

Screw dislocation-spherical void interactions in fcc metals and their dependence on stacking fault energy

Hayakawa, Sho*; Doihara, Kohei*; Okita, Taira*; Itakura, Mitsuhiro; Aichi, Masaatsu*; Suzuki, Katsuyuki*

Journal of Materials Science, 54(17), p.11509 - 11525, 2019/09

https://doi.org/10.1007/s10853-019-03716-0

Atomic simulations to evaluate effects of stacking fault energy on interactions between edge dislocation and spherical void in face-centred cubic metals

Doihara, Kohei*; Okita, Taira*; Itakura, Mitsuhiro; Aichi, Masaatsu*; Suzuki, Katsuyuki*

Philosophical Magazine, 98(22), p.2061 - 2076, 2018/05

https://doi.org/10.1080/14786435.2018.1472401

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.