The excellent dislocation storage ability of bulk multi-principal element alloys(MPEAs)has been widely reported.To date,however,the underlying mechanisms of dislocation escape behavior in small-size facecentered cubic...The excellent dislocation storage ability of bulk multi-principal element alloys(MPEAs)has been widely reported.To date,however,the underlying mechanisms of dislocation escape behavior in small-size facecentered cubic(FCC)MPEAs have rarely been studied.Here,we quantitatively control the initial dislocation densities(-10^(15) m^(-2) and -10^(16) m^(-2))by large-scale molecular dynamics(MD)simulations and perform uniaxial compression simulations to compare the dislocation starvation behavior of CrCoNi with pure Cu single crystal pillars(SCPs).The analysis reveals that the CrCoNi SCPs with low initial dislocation density(-10^(15) m^(-2))can continuously accommodate mobile dislocations,and the critical dimension for dislocation starvation is about 30 nm.In particular,the CrCoNi SCPs with chemical short-range ordering(SRO)exhibit better dislocation storage and multiplication abilities than the random solid solution(RSS)samples even when the initial dislocation density is low.However,the presence of a large number of pre-existing dislocation locks governs the strong dislocation multiplication ability of the small-size RSS CrCoNi SCPs,in obvious contrast to the deformation of all pure Cu SCPs which is completely dominated by intermittent mobile dislocation starvation.Most importantly,we reveal the fundamental physics for the good dislocation storage of CrCoNi SCPs at small sizes from the perspective of chemical heterogeneity.The new phenomena reported in this work provide a unique atomic-scale perspective for understanding the microscopic physical origin of the mechanical behavior of MPEAs and the discovery of extremely slow dislocation escape behavior in small-scaled pillars,providing a reliable basis for the development of the dislocation starvation model.展开更多
An efficient method for the synthesis of some difunctionalized copillar[5]arene Schiff bases from condensation of salicylaldehyde and its 5-chloro,5-bromo,3,5-di(t-butyl) substituted derivatives with corresponding d...An efficient method for the synthesis of some difunctionalized copillar[5]arene Schiff bases from condensation of salicylaldehyde and its 5-chloro,5-bromo,3,5-di(t-butyl) substituted derivatives with corresponding diamino-functionalized copillar[5]arene,which were prepared by Gabriel reaction according to the reported method.Single-crystals of six copillar[5]arenes were determined by X-ray diffraction.An ORTEP of compounds showed that the two chains units of Schiff base exist in the outside of the cavity of pillar[5]arene.Furthermore,the complexing ability of these Schiff bases to transition metal ions were investigated by UV and fluorescence spectroscopy.展开更多
基金financially supported by the Key University Science Research Project of Jiangsu Province(No.17KJA130002)the Natural Science Foundation of Jiangsu Province(No.BK20201031)+1 种基金the National Key R&D Program of China(Grant No.2021YFA1200203)the National Natural Science Foundation of China(Grant Nos.51971112 and 52071181).
文摘The excellent dislocation storage ability of bulk multi-principal element alloys(MPEAs)has been widely reported.To date,however,the underlying mechanisms of dislocation escape behavior in small-size facecentered cubic(FCC)MPEAs have rarely been studied.Here,we quantitatively control the initial dislocation densities(-10^(15) m^(-2) and -10^(16) m^(-2))by large-scale molecular dynamics(MD)simulations and perform uniaxial compression simulations to compare the dislocation starvation behavior of CrCoNi with pure Cu single crystal pillars(SCPs).The analysis reveals that the CrCoNi SCPs with low initial dislocation density(-10^(15) m^(-2))can continuously accommodate mobile dislocations,and the critical dimension for dislocation starvation is about 30 nm.In particular,the CrCoNi SCPs with chemical short-range ordering(SRO)exhibit better dislocation storage and multiplication abilities than the random solid solution(RSS)samples even when the initial dislocation density is low.However,the presence of a large number of pre-existing dislocation locks governs the strong dislocation multiplication ability of the small-size RSS CrCoNi SCPs,in obvious contrast to the deformation of all pure Cu SCPs which is completely dominated by intermittent mobile dislocation starvation.Most importantly,we reveal the fundamental physics for the good dislocation storage of CrCoNi SCPs at small sizes from the perspective of chemical heterogeneity.The new phenomena reported in this work provide a unique atomic-scale perspective for understanding the microscopic physical origin of the mechanical behavior of MPEAs and the discovery of extremely slow dislocation escape behavior in small-scaled pillars,providing a reliable basis for the development of the dislocation starvation model.
基金financially supported by the National Natural Science Foundation of China (Nos. 21172190, 21372192)the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘An efficient method for the synthesis of some difunctionalized copillar[5]arene Schiff bases from condensation of salicylaldehyde and its 5-chloro,5-bromo,3,5-di(t-butyl) substituted derivatives with corresponding diamino-functionalized copillar[5]arene,which were prepared by Gabriel reaction according to the reported method.Single-crystals of six copillar[5]arenes were determined by X-ray diffraction.An ORTEP of compounds showed that the two chains units of Schiff base exist in the outside of the cavity of pillar[5]arene.Furthermore,the complexing ability of these Schiff bases to transition metal ions were investigated by UV and fluorescence spectroscopy.