The mechanism of low-temperature deformation in a fracture process of Ll2 Ni3Al is studied by molecular dynamic simulations. Owing to the unstable stacking energy, the [011] superdislocation is dissociated into partia...The mechanism of low-temperature deformation in a fracture process of Ll2 Ni3Al is studied by molecular dynamic simulations. Owing to the unstable stacking energy, the [011] superdislocation is dissociated into partial dislocations separated by a stacking fault. The simulation results show that when the crack speed is larger than a critical speed, the Shockley partial dislocations will break forth from both the crack tip and the vicinity of the crack tip; subsequently the super intrinsic stacking faults are formed in adjacent {111} planes, meanwhile the super extrinsic stacking faults and twinning also occur. Our simulation results suggest that at low temperatures the ductile fracture in Ll2 Ni3Al is accompanied by twinning, which is produced by super-intrinsic stacking faults formed in adjacent {111} planes.展开更多
To explore the effect of temperature on the phase transformation of HCP→FCC during compression, the uniaxial compression process of AZ31 magnesium alloy was simulated by the molecular dynamics method, and the changes...To explore the effect of temperature on the phase transformation of HCP→FCC during compression, the uniaxial compression process of AZ31 magnesium alloy was simulated by the molecular dynamics method, and the changes of crystal structure and dislocation evolution were observed. The effects of temperature on mechanical properties, crystal structure, and dislocation evolution of magnesium alloy during compression were analyzed. It is concluded that some of the Shockley partial dislocation is related to FCC stacking faults. With the help of TEM characterization, the correctness of the correlation between some of the dislocations and FCC stacking faults is verified. Through the combination of simulation and experiment, this paper provides an idea for the in-depth study of the solid-phase transformation of magnesium alloys and provides reference and guidance for the design of magnesium alloys with good plasticity and formability at room temperature.展开更多
In this work,we have systematically investigated precipitation ofβ’-Mg3Sn phase on intrinsic stacking faults I1 and I2 in a Mg-9.8 wt%Sn alloy using aberration-corrected scanning transmission electron microscopy.All...In this work,we have systematically investigated precipitation ofβ’-Mg3Sn phase on intrinsic stacking faults I1 and I2 in a Mg-9.8 wt%Sn alloy using aberration-corrected scanning transmission electron microscopy.All observed I1 faults are generated by the dissociation of c+a perfect dislocations and bounded by Frank partial dislocations having a Shockley component.Precipitation ofβ’on I1 involves a shear of 1/3<0110>α,similar to its formation directly from theα-Mg matrix.Theβ’phase often nucleates at one end of an I1 fault due to the interaction between shear strain fields ofβ’and the Shockley component of the Frank partial at that end,and subsequently grows towards the other end of the fault.When theβ’reaches to the other end,the Shockley partial bounding the lengthening end of theβ’reacts with the Frank partial bounding the fault,generating an a perfect dislocation that can glide away from the precipitate and the fault.The observed I2 faults are generated by the dissociation of a perfect dislocations and bounded by Shockley partials.Precipitation ofβ’on I2 does not need a shear of 1/3<01-10>α,since the pre-existing I2 fault already provides an ABCA four-layer structure ofβ’.Thickening of theβ’that has already formed on the I2 involves the successive occurrence of three crystallographically equivalent shears of 1/3<01-10>αon every second(0002)αplane of theα-Mg matrix.Although this thickening mechanism is similar to that of theβ’formed directly from theα-Mg matrix,an a perfect dislocation will be produced when theβ’is thickened to eight layers,and it can again glide away from the precipitate and the fault.展开更多
基金Project supported by the National Basic Research Program of China (Grant No 2006CB605102)the National Natural Science Foundation of China (Grant No 90306016)
文摘The mechanism of low-temperature deformation in a fracture process of Ll2 Ni3Al is studied by molecular dynamic simulations. Owing to the unstable stacking energy, the [011] superdislocation is dissociated into partial dislocations separated by a stacking fault. The simulation results show that when the crack speed is larger than a critical speed, the Shockley partial dislocations will break forth from both the crack tip and the vicinity of the crack tip; subsequently the super intrinsic stacking faults are formed in adjacent {111} planes, meanwhile the super extrinsic stacking faults and twinning also occur. Our simulation results suggest that at low temperatures the ductile fracture in Ll2 Ni3Al is accompanied by twinning, which is produced by super-intrinsic stacking faults formed in adjacent {111} planes.
基金supported by the National Key Research and Development Project (2018YFB1307902)Shanxi Province Joint Student Training Base Talent Training Project(No.2018JD33)+5 种基金Shanxi young top talent projectShanxi Province Science Foundation for Youths (201901D211312)Excellent young academic leaders in Shanxi colleges and universities(No.2019045)Excellent Achievements Cultivation Project of Shanxi Higher Education Institutions(No.2019KJ028)Shanxi Province emerging industry leader talent projectShanxi Graduate Education Innovation Project(No.2019SY482)。
文摘To explore the effect of temperature on the phase transformation of HCP→FCC during compression, the uniaxial compression process of AZ31 magnesium alloy was simulated by the molecular dynamics method, and the changes of crystal structure and dislocation evolution were observed. The effects of temperature on mechanical properties, crystal structure, and dislocation evolution of magnesium alloy during compression were analyzed. It is concluded that some of the Shockley partial dislocation is related to FCC stacking faults. With the help of TEM characterization, the correctness of the correlation between some of the dislocations and FCC stacking faults is verified. Through the combination of simulation and experiment, this paper provides an idea for the in-depth study of the solid-phase transformation of magnesium alloys and provides reference and guidance for the design of magnesium alloys with good plasticity and formability at room temperature.
基金National Natural Science Foundation of China(51771036,51131009 and 51421001)National Key Research and Development Program of China(2016YFB0700402)+2 种基金Graduate Student Research Innovation Project of Chongqing Universitysupport of the“111”Project(B16007)by the Ministry of Education and the State Administration of Foreign Experts Affairs of Chinasupported by the Australian Research Council。
文摘In this work,we have systematically investigated precipitation ofβ’-Mg3Sn phase on intrinsic stacking faults I1 and I2 in a Mg-9.8 wt%Sn alloy using aberration-corrected scanning transmission electron microscopy.All observed I1 faults are generated by the dissociation of c+a perfect dislocations and bounded by Frank partial dislocations having a Shockley component.Precipitation ofβ’on I1 involves a shear of 1/3<0110>α,similar to its formation directly from theα-Mg matrix.Theβ’phase often nucleates at one end of an I1 fault due to the interaction between shear strain fields ofβ’and the Shockley component of the Frank partial at that end,and subsequently grows towards the other end of the fault.When theβ’reaches to the other end,the Shockley partial bounding the lengthening end of theβ’reacts with the Frank partial bounding the fault,generating an a perfect dislocation that can glide away from the precipitate and the fault.The observed I2 faults are generated by the dissociation of a perfect dislocations and bounded by Shockley partials.Precipitation ofβ’on I2 does not need a shear of 1/3<01-10>α,since the pre-existing I2 fault already provides an ABCA four-layer structure ofβ’.Thickening of theβ’that has already formed on the I2 involves the successive occurrence of three crystallographically equivalent shears of 1/3<01-10>αon every second(0002)αplane of theα-Mg matrix.Although this thickening mechanism is similar to that of theβ’formed directly from theα-Mg matrix,an a perfect dislocation will be produced when theβ’is thickened to eight layers,and it can again glide away from the precipitate and the fault.