In polycrystalline magnesium(Mg)and Mg alloys,as the grain size decreases,the grain boundary(GB)mediated plasticity including GB sliding and GB migration becomes the dominant deformation mechanism.In this study,the mo...In polycrystalline magnesium(Mg)and Mg alloys,as the grain size decreases,the grain boundary(GB)mediated plasticity including GB sliding and GB migration becomes the dominant deformation mechanism.In this study,the motion of[1100]symmetric tilt GBs in Mg bicrystals is investigated using molecular dynamics(MD)simulations.The effects of GB misorientation angle and temperature are considered.At low/room temperatures and varied GB misorientation angles in the range ofθ≥58.36°,the GB migration occurs via the shear coupling with the invariant plane of{0001};At 35.80°<θ<58.36°,both the GB migration and GB sliding happen and the invariant plane changes from{0001}plane to[1122]plane;At 26.54°≤θ≤35.80°,the GB migrates with the invariant plane of[1122];Finally,atθ<26.54°,the GB sliding becomes the main deformation mechanism.At 700 K,the GB sliding occurs at the misorientation angles in the range ofθ<58.36θ;while the GB migration occurs at the misorientation angles ofθ≥58.36°.By comparing the energy barriers of GB migration and GB sliding,it yields that the deformation mode with a low energy barrier always happens,which leads to the transition of deformation modes and agrees well with the MD simulation results.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.12192210,12192214,and 12072211)。
文摘In polycrystalline magnesium(Mg)and Mg alloys,as the grain size decreases,the grain boundary(GB)mediated plasticity including GB sliding and GB migration becomes the dominant deformation mechanism.In this study,the motion of[1100]symmetric tilt GBs in Mg bicrystals is investigated using molecular dynamics(MD)simulations.The effects of GB misorientation angle and temperature are considered.At low/room temperatures and varied GB misorientation angles in the range ofθ≥58.36°,the GB migration occurs via the shear coupling with the invariant plane of{0001};At 35.80°<θ<58.36°,both the GB migration and GB sliding happen and the invariant plane changes from{0001}plane to[1122]plane;At 26.54°≤θ≤35.80°,the GB migrates with the invariant plane of[1122];Finally,atθ<26.54°,the GB sliding becomes the main deformation mechanism.At 700 K,the GB sliding occurs at the misorientation angles in the range ofθ<58.36θ;while the GB migration occurs at the misorientation angles ofθ≥58.36°.By comparing the energy barriers of GB migration and GB sliding,it yields that the deformation mode with a low energy barrier always happens,which leads to the transition of deformation modes and agrees well with the MD simulation results.
