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Strengthening effects of various grain boundaries with nano-spacing as barriers of dislocation motion from molecular dynamics simulations

Strengthening effects of various grain boundaries with nano-spacing as barriers of dislocation motion from molecular dynamics simulations
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摘要 Strengthening in metals is traditionally achieved through the controlled creation of various grain boundaries(GBs),such as low-angle GBs,high-angle GBs,and twin boundaries(TBs).In the present study,a series of large-scale molecular dynamics simulations with spherical nanoindentation and carefully designed model were conducted to investigate and compare the strengthening effects of various GBs with nano-spacing as barriers of dislocation motion.Simulation results showed that high-angle twist GBs and TBs are similar barriers and low-angle twist GBs are less effective in obstructing dislocation motion.Corresponding atomistic mechanisms were also given.At a certain indentation depth,dislocation transmission and dislocation nucleation from the other side of boundaries were observed for low-angle twist GBs,whereas dislocations were completely blocked by high-angle twist GBs and TBs at the same indentation depth.The current findings should provide insights for comprehensive understanding of the strengthening effects of various GBs at nanoscale. Strengthening in metals is traditionally achieved through the controlled creation of various grain boundaries (GBs), such as low-angle GBs, high-angle GBs, and twin boundaries (TBs). In the present study, a series of large-scale molecular dynamics simulations with spherical nanoindentation and carefully designed model were conducted to investigate and compare the strengthening effects of various GBs with nano-spacing as barriers of dislocation motion. Simulation results showed that high-angle twist GBs and TBs are similar barriers and low-angle twist GBs are less effective in obstructing dislocation motion. Corresponding atomistic mechanisms were also given. At a certain indentation depth, dislocation transmission and dislocation nucleation from the other side of boundaries were observed for low-angle twist GBs, whereas dislocations were completely blocked by high-angle twist GBs and TBs at the same indentation depth. The current findings should provide insights for comprehensive understanding of the strengthening effects of various GBs at nanoscale.
作者 FuPing Yuan
出处 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS CSCD 2017年第3期48-54,共7页 中国科学:物理学、力学、天文学(英文版)
基金 supported by the National Natural Science Foundation of China(Grant Nos.11472286,and 11672313) the National Key Basic Research Program of China(Grants Nos.2012CB932203,and 2012CB937500) the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB22040503)
关键词 molecular dynamics grain boundary strengthening dislocations NANOINDENTATION METALS 分子动力学模拟 位错运动 纳米压痕 孪晶界 强化效应 间距 压痕深度 GBS
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