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Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order

来源:    发布时间 : 2021-12-17   点击量:  
年份 专利号
授权公告日 发明人
期号、页码 12, 4873 (2021) 期刊名称 Nature Communications
文章作者 Sheng Yin, Yunxing Zuo, Anas Abu-Odeh, Hui Zhang, Xiang-Guo Li, Jun Ding, Shyue Ping Ong, Mark Asta, Robert Ritchie


Refractory high-entropy alloys (RHEAs) are designed for high elevated-temperature strength, with both edge and screw dislocations playing an important role for plastic deformation. However, they can also display a significant energetic driving force for chemical short-range ordering (SRO). Here, we investigate mechanisms underlying the mobilities of screw and edge dislocations in the body-centered cubic MoNbTaW RHEA over a wide temperature range using extensive molecular dynamics simulations based on a highly-accurate machine-learning interatomic potential. Further, we specifically evaluate how these mechanisms are affected by the presence of SRO. The mobility of edge dislocations is found to be enhanced by the presence of SRO, whereas the rate of double-kink nucleation in the motion of screw dislocations is reduced, although this influence of SRO appears to be attenuated at increasing temperature. Independent of the presence of SRO, a cross-slip locking mechanism is observed for the motion of screws, which provides for extra strengthening for refractory high-entropy alloy system.


Link:https://www.nature.com/articles/s41467-021-25134-0

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