Online reactivity monitoring plays an important role in operation and safety analyses of fission reactor systems. The inverse kinetics method, which is based on a point kinetics model, is the most widely used method f...Online reactivity monitoring plays an important role in operation and safety analyses of fission reactor systems. The inverse kinetics method, which is based on a point kinetics model, is the most widely used method for reactivity reconstruction of critical water reactors. However, this method is seldom applied to the reactivity reconstruction of subcritical reactors. In this study, an inverse kinetics method was employed for the reactivity reconstruction of a lead-based reactor under different initial reactivity states(ρ_0= 0,-2786,-5486,-8367, and-12,371 pcm). The results showed that the deviation in the reactivity of the lead-based subcritical reactor was greater when ρ_0 became smaller. The reactivity reconstructed using the inverse kinetics method was globally underestimated. At a given reactivity perturbation, the relative and absolute errors increased with the decrease in the initial reactivity. At a given initial reactivity, with the increase in the reactivity perturbation, the absolute error increased, whereas the relative error remained the same.This deviation is due to the variation in the external neutron source, spatial-spectral effects, and sub-diffusive effects, which require further study.展开更多
The solid solution characteristics of Pb(B1/3Nb2/3)O3-based (B=Zn^2+, Mg^2+, Ni^2+) composite ceramics prepared by two-phase mixed-sintering method were developed based on dielectric measurements. Results show ...The solid solution characteristics of Pb(B1/3Nb2/3)O3-based (B=Zn^2+, Mg^2+, Ni^2+) composite ceramics prepared by two-phase mixed-sintering method were developed based on dielectric measurements. Results show that there are double dielectric peaks for PZN-based composite ceramic, implying two phases coexist. However single dielectric peak was presented in PMN- and PNN-based composite ceramics, respectively. It is indicated that obvious solid solution reaction exists during the sintering process of these two systems. The effects of B-site ion difference on the solid solution characteristics were discussed by crystal chemistry. SEM was employed to investigated the microstructures of composite ceramics. The influences of solid solution reaction on grain growth were discussed.展开更多
Alloying strategies provide a high degree of freedom for reducing lead toxicity,improving thermodynamic stability, tuning the optoelectronic properties of ABX3 halide perovskites by varying the alloying element specie...Alloying strategies provide a high degree of freedom for reducing lead toxicity,improving thermodynamic stability, tuning the optoelectronic properties of ABX3 halide perovskites by varying the alloying element species and their contents.Given the key role of B-site cations in contributing band edge states and modulating structure factors in halide perovskites,the partial replacement of Pb2+with different B-site metal ions has been proposed.Although several experimental attempts have been made to date,the effect of B-site alloying on the stability and electronic properties of halide perovskites has not been fully explored.Herein,we take cubic CsPbBr3 perovskite as the prototype material and systematically explore the effects of B-site alloying on Pb-containing perovskites.According to the presence or absence of the corresponding perovskite phase,the ten alloying elements investigated are classified into three types(i.e.,Type Ⅰ:Sn Ge,Ca,Sr;Type Ⅱ:Cd,Mg,Mn;Type Ⅲ:Ba,Zn,Cu).Based on the first-principles calculations,we obtain the following conclusions.First,these B-site alloys will exist as disordered solid solutions rather than ordered structures at room temperature throughout the composition space.Second,the alloying of Sn and Ge enhances the thermodynamic stability of the cubic perovskite host,whereas the alloying of the other elements has no remarkable effect on the thermodynamic stability of the cubic perovskite host.Third,the underlying physical mechanism for bandgap tuning can be attributed to the atomic orbital energy mismatch or quantum confinement effect.Fourth,the alloying of different elements demonstrates the diversity in the regulation of crystal structure and electronic properties,indicating potential applications in photovoltaic s and self-trapped exciton-based light-emitting applications.Our work provides theoretical guidance for using alloying strategies to reduce lead toxicity,enhance stability,and optimize the electronic properties of halide perovskites to meet the needs of optoelectronic applications.展开更多
基金supported by the Strategic Priority Science and Technology Program of the Chinese Academy of Sciences(No.XDA03040000)the National Natural Science Foundation of China(NSFC)(Nos.11305205,11305203,and 11405204)+3 种基金the Special Program for Informatization of the Chinese Academy of Sciences(No.XXH12504-1-09)the Anhui Provincial Special project for High Technology Industrythe Special Project of Youth Innovation Promotion Association of Chinese Academy of Sciencesthe Industrialization Fund
文摘Online reactivity monitoring plays an important role in operation and safety analyses of fission reactor systems. The inverse kinetics method, which is based on a point kinetics model, is the most widely used method for reactivity reconstruction of critical water reactors. However, this method is seldom applied to the reactivity reconstruction of subcritical reactors. In this study, an inverse kinetics method was employed for the reactivity reconstruction of a lead-based reactor under different initial reactivity states(ρ_0= 0,-2786,-5486,-8367, and-12,371 pcm). The results showed that the deviation in the reactivity of the lead-based subcritical reactor was greater when ρ_0 became smaller. The reactivity reconstructed using the inverse kinetics method was globally underestimated. At a given reactivity perturbation, the relative and absolute errors increased with the decrease in the initial reactivity. At a given initial reactivity, with the increase in the reactivity perturbation, the absolute error increased, whereas the relative error remained the same.This deviation is due to the variation in the external neutron source, spatial-spectral effects, and sub-diffusive effects, which require further study.
基金the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry(2005)
文摘The solid solution characteristics of Pb(B1/3Nb2/3)O3-based (B=Zn^2+, Mg^2+, Ni^2+) composite ceramics prepared by two-phase mixed-sintering method were developed based on dielectric measurements. Results show that there are double dielectric peaks for PZN-based composite ceramic, implying two phases coexist. However single dielectric peak was presented in PMN- and PNN-based composite ceramics, respectively. It is indicated that obvious solid solution reaction exists during the sintering process of these two systems. The effects of B-site ion difference on the solid solution characteristics were discussed by crystal chemistry. SEM was employed to investigated the microstructures of composite ceramics. The influences of solid solution reaction on grain growth were discussed.
基金supported by the National Natural Science Foundation of China(Grant Nos.12004131,and 22090044)the Jilin Province Science and Technology Development Program(Grant No.20210508044RQ)。
文摘Alloying strategies provide a high degree of freedom for reducing lead toxicity,improving thermodynamic stability, tuning the optoelectronic properties of ABX3 halide perovskites by varying the alloying element species and their contents.Given the key role of B-site cations in contributing band edge states and modulating structure factors in halide perovskites,the partial replacement of Pb2+with different B-site metal ions has been proposed.Although several experimental attempts have been made to date,the effect of B-site alloying on the stability and electronic properties of halide perovskites has not been fully explored.Herein,we take cubic CsPbBr3 perovskite as the prototype material and systematically explore the effects of B-site alloying on Pb-containing perovskites.According to the presence or absence of the corresponding perovskite phase,the ten alloying elements investigated are classified into three types(i.e.,Type Ⅰ:Sn Ge,Ca,Sr;Type Ⅱ:Cd,Mg,Mn;Type Ⅲ:Ba,Zn,Cu).Based on the first-principles calculations,we obtain the following conclusions.First,these B-site alloys will exist as disordered solid solutions rather than ordered structures at room temperature throughout the composition space.Second,the alloying of Sn and Ge enhances the thermodynamic stability of the cubic perovskite host,whereas the alloying of the other elements has no remarkable effect on the thermodynamic stability of the cubic perovskite host.Third,the underlying physical mechanism for bandgap tuning can be attributed to the atomic orbital energy mismatch or quantum confinement effect.Fourth,the alloying of different elements demonstrates the diversity in the regulation of crystal structure and electronic properties,indicating potential applications in photovoltaic s and self-trapped exciton-based light-emitting applications.Our work provides theoretical guidance for using alloying strategies to reduce lead toxicity,enhance stability,and optimize the electronic properties of halide perovskites to meet the needs of optoelectronic applications.