This study aims to clarify the mechanisms for the grain boundary(GB)segregation through investigating the absorption of excess solute atoms at GBs in Al−Cu alloys by using the hybrid molecular dynamics/Monte Carlo sim...This study aims to clarify the mechanisms for the grain boundary(GB)segregation through investigating the absorption of excess solute atoms at GBs in Al−Cu alloys by using the hybrid molecular dynamics/Monte Carlo simulations.Two segregation mechanisms,substitutional and interstitial mechanisms,are observed.The intergranular defects,including dislocations,steps and vacancies,and the intervals in structural units are conductive to the prevalence of interstitial mechanism.And substitutional mechanism is favored by the highly ordered twin GBs.Furthermore,the two mechanisms affect the GB structure differently.It is quantified that interstitial mechanism is less destructive to GB structure than substitutional one,and often leads to a segregation level being up to about 6 times higher than the latter.These findings contribute to atomic scale insights into the microscopic mechanisms about how solute atoms are absorbed by GB structures,and clarify the correlation among intergranular structures,segregation mechanisms and kinetics.展开更多
By sintering CaCu3Ti4O12ceramics at different temperatures and testing the samples＇ properties, the segregation behavior of Cu and its effects were carefully studied. As the temperature rises, CuO segregates to the g...By sintering CaCu3Ti4O12ceramics at different temperatures and testing the samples＇ properties, the segregation behavior of Cu and its effects were carefully studied. As the temperature rises, CuO segregates to the grain boundaries and gradually volatilize. Complete decomposition and volatilization occur at 1150℃. The behavior of CuO is found to be closely related to the formation of the grain boundary barrier, as well as the acquirement and evolution of the electrical properties, which are revealed in the research.展开更多
Rapid solidification of binary Cu-22%Sn peritectic alloys and Cu-5%Sn-5%Ni-5%Ag quaternary alloys was accomplished by glass fluxing, drop tube and melt spinning methods. The undercooled, by glass fluxing method, Cu-22...Rapid solidification of binary Cu-22%Sn peritectic alloys and Cu-5%Sn-5%Ni-5%Ag quaternary alloys was accomplished by glass fluxing, drop tube and melt spinning methods. The undercooled, by glass fluxing method, Cu-22%Sn peritectic alloy was composed of a（Cu） and δ（Cu41Snll） phases. If rapidly solidified in a drop tube, the alloy phase constitution changed from α（Cu） and δ（Cu41Sn11） phases into a single supersaturated （Cu） phase with the reducing of droplet diameter, and the maximum solubility of Sn in （Cu） phase extended to 22%. The Cu-5%Sn-5%Ni-5%Ag quaternary alloy was composed of （Cu） and （Ag） phases under the containerless processing condition in a drop tube, and the solute microsegregation of （Cu） phase was obvious. When the Cu-5%Sn-5%Ni-5%Ag quaternary alloy was solidified by melt spinning method, microsegregation was suppressed and solute trapping occurred. The experimental results show that the microstructures of primary （Cu） phase in the two alloys transfer from coarse dendrites into equiaxed grains with the increase of cooling rate and undercooling, which is accompanied by the grain refinement effect.展开更多
基金supported by grants from the National Natural Science Foundation of China(Nos.52031017,51801237)the National Key Laboratory of Science and Technology on High-strength Structural Materials in Central South University,China(No.6142912200106).
文摘This study aims to clarify the mechanisms for the grain boundary(GB)segregation through investigating the absorption of excess solute atoms at GBs in Al−Cu alloys by using the hybrid molecular dynamics/Monte Carlo simulations.Two segregation mechanisms,substitutional and interstitial mechanisms,are observed.The intergranular defects,including dislocations,steps and vacancies,and the intervals in structural units are conductive to the prevalence of interstitial mechanism.And substitutional mechanism is favored by the highly ordered twin GBs.Furthermore,the two mechanisms affect the GB structure differently.It is quantified that interstitial mechanism is less destructive to GB structure than substitutional one,and often leads to a segregation level being up to about 6 times higher than the latter.These findings contribute to atomic scale insights into the microscopic mechanisms about how solute atoms are absorbed by GB structures,and clarify the correlation among intergranular structures,segregation mechanisms and kinetics.
基金supported by the National Basic Research Program of China ("973"Program)(Grant No.2009CB623303)National Natural Science Foundation of China(Grant Nos.50425721,50677029 and 50737001)
文摘By sintering CaCu3Ti4O12ceramics at different temperatures and testing the samples＇ properties, the segregation behavior of Cu and its effects were carefully studied. As the temperature rises, CuO segregates to the grain boundaries and gradually volatilize. Complete decomposition and volatilization occur at 1150℃. The behavior of CuO is found to be closely related to the formation of the grain boundary barrier, as well as the acquirement and evolution of the electrical properties, which are revealed in the research.
基金supported by the National Natural Science Foundation of China (Grant No. 50971105)the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20106102120052)the NPU Foundation for Fundamental Research (Grant No. G9KY1021)
文摘Rapid solidification of binary Cu-22%Sn peritectic alloys and Cu-5%Sn-5%Ni-5%Ag quaternary alloys was accomplished by glass fluxing, drop tube and melt spinning methods. The undercooled, by glass fluxing method, Cu-22%Sn peritectic alloy was composed of a（Cu） and δ（Cu41Snll） phases. If rapidly solidified in a drop tube, the alloy phase constitution changed from α（Cu） and δ（Cu41Sn11） phases into a single supersaturated （Cu） phase with the reducing of droplet diameter, and the maximum solubility of Sn in （Cu） phase extended to 22%. The Cu-5%Sn-5%Ni-5%Ag quaternary alloy was composed of （Cu） and （Ag） phases under the containerless processing condition in a drop tube, and the solute microsegregation of （Cu） phase was obvious. When the Cu-5%Sn-5%Ni-5%Ag quaternary alloy was solidified by melt spinning method, microsegregation was suppressed and solute trapping occurred. The experimental results show that the microstructures of primary （Cu） phase in the two alloys transfer from coarse dendrites into equiaxed grains with the increase of cooling rate and undercooling, which is accompanied by the grain refinement effect.
