While developing nuclear materials,predicting their behavior under long-term irradiation regimes span-ning decades poses a significant challenge.We developed a novel Kinetic Monte Carlo(KMC)model to explore the precip...While developing nuclear materials,predicting their behavior under long-term irradiation regimes span-ning decades poses a significant challenge.We developed a novel Kinetic Monte Carlo(KMC)model to explore the precipitation behavior of Y-Ti-O oxides along grain boundaries within nanostructured ferritic alloys(NFA).This model also assessed the response of the oxides to neutron irradiation,even up sim-ulated radiation damage levels in the desired long dpa range for reactor components.Our simulations investigated how temperature and grain boundary sinks influenced the oxide characteristics of a 12YWT-like alloy during heat treatments at 1023,1123,and 1223 K.The oxide characteristics observed in our simulations were in good agreement with existing literature.Furthermore,the impact of grain bound-aries on precipitation was found to be minimal.The resulting oxide configurations and positions were used in subsequent simulations that exposed them to simulated neutron irradiation to a total accumu-lated dose of 8 dpa at three temperatures:673,773,and 873 K,and at dose rates of 10-3,10-4,and 10-5 dpa/s.This demonstrated the expected inverse relationship between oxide size and dose rate.In a long-term irradiation simulation at 873 K and 10-3 dpa/s was taken out to 66 dpa and found the oxides in the vicinity of the grain boundary were more susceptible to dissolution.Additionally,we conducted irradia-tion simulations of a 14YWT-like alloy to reproduce findings from neutron irradiation experiments.The larger oxides in the 14YWT-like alloy did not dissolve and displayed stability similar to the experimental results.展开更多
In isothermal spheroidizing process,the spheroidization and growth of the carbide formed in hot-deformed high-carbon chromium cast steel at high temperature were investigated.The results showed that the spheroidizing ...In isothermal spheroidizing process,the spheroidization and growth of the carbide formed in hot-deformed high-carbon chromium cast steel at high temperature were investigated.The results showed that the spheroidizing growth of carbide proceeds in such a way that the bigger carbide particles swallow the smaller ones,and the short rhabdoid carbides dissolve and are spheroidized by itself.When the samples were held at 720℃ for more than 3 h,the spheroidization is not obvious.The feature of the process is the size increment and the amount decrement of carbide particles.The empirical equation for growth rate of carbides was obtained.The volume fraction of carbides keeps constant.The growth process agrees well with Ostwald Ripening Law.展开更多
The Ostwald ripening of carbide particles occurs during the process of subcritical annealing in SCM435 steel, and the degree of ripening influences the microstructure and mechanical properties of the steel. The effect...The Ostwald ripening of carbide particles occurs during the process of subcritical annealing in SCM435 steel, and the degree of ripening influences the microstructure and mechanical properties of the steel. The effects of Ostwald ripening were studied by simulating different soaking time at 680 ~C using SCM435 steel. The spheroidized specimens were analysed by conducting microstructure and mechanical tests. After increasing the soaking time from 2 to 6 h at 680 ~C during subcritical annealing, the number of carbide particles and the spheroidization ratio increased gradually, and the formability was improved. When the soaking time ranged from 6 to 8 h, the spheroidization ratio was similar; however, the number of carbide particles decreased, and the formability gradually worsened. Therefore, by comprehensively comparing the microstructures and mechanical properties, the optimum soaking time was determined to be 6 h at 680 ~C during subcritical annealing to obtain preferable cold heading. In addition, the carbide particles gradually coarsened when the soaking time was extended from 2 to 8 h. A formula was presented to quantitatively characterize the progress of Ostwald ripening of the carbide particles during the subcritical annealing of SCM435 steel, and the relative error was less than 8.02%.展开更多
Hollow structuring has been identified as an effective strategy to enhance the cycling stability of electrodes for rechargeable batteries due to the outstanding volume expansion buffering efficiency,which motivates ar...Hollow structuring has been identified as an effective strategy to enhance the cycling stability of electrodes for rechargeable batteries due to the outstanding volume expansion buffering efficiency,which motivates ardent pursuing on the synthetic approaches of hollow materials.Herein,an intriguing route,combining solid precursor transition and Ostwald ripening(SPTOR),is developed to craft nano single-crystal(SC)-constructed MnCO_(3) submicron hollow spindles homogeneously encapsulated in a reduced graphene oxide matrix(MnCO_(3) SMHSs/rGO).It is noteworthy that the H-bonding interaction between Mn_(3)O_(4) nanoparticles(NPs)and oxygen-containing groups on GO promotes uniform anchoring of Mn_(3)O_(4) NPs on GO,mild reductant ascorbic acid triggers the progressive solid-to-solid transition from Mn_(3)O_(4) NPs to MnCO_(3) submicron solid spindles(SMSSs)in situ on GO,and the Ostwald ripening process induces the gradual dissolution of interior polycrystals of MnCO_(3) SMSSs and subsequent recrystallization on surface SCs of MnCO_(3) SMHSs.Remarkably,MnCO_(3) SMHSs/rGO delivers a 500th lithium storage capacity of 2023 mAh g^(-1) at 1000 mAg^(-1),which is 10 times higher than that of MnCO_(3) microspheres/rGO fabricated from a conventional Mn^(2+)salt precursor(202 mAh g^(-1)).The ultrahigh capacity and ultralong lifespan of MnCO_(3) SMHSs/rGO can be primarily attributed to the superior reaction kinetics and reversibility combined with exceptional interfacial and capacitive lithium storage capability,enabled by the fast ion/electron transfer,large specific surface area,and robust electrode pulverization inhibition efficacy.Moreover,fascinating in-depth lithium storage reactions of MnCO_(3) are observed such as the oxidation of Mn^(2+)in MnCO_(3) to Mn^(3+)in charge process after long-term cycles and the further lithiation of Li_(2)CO_(3) in discharge process.As such,the Carbon Energy.SPTOR approach may represent a viable strategy for crafting various hollow functional materials with metastable nanomaterials as precursors.展开更多
The dynamic and kinetic evolution of supported metal particles in the presence of reactants is decisive in shaping the nature of the catalytic active sites and the deactivation process. Ostwald ripening of FeO/Pt(111)...The dynamic and kinetic evolution of supported metal particles in the presence of reactants is decisive in shaping the nature of the catalytic active sites and the deactivation process. Ostwald ripening of FeO/Pt(111) supported Au particles in the presence of carbon monoxide is addressed here by firstprinciples kinetics. It is found that CO stabilizes the ripening monomer(Au atom) by forming favorable Au carbonyls with lower total activation energy, and corresponding phase diagram at wide range of temperature and CO pressures is constructed. Evolution of particle number, dispersion and particle size distribution of supported Au particles are explored. Great influence of CO promotion on ripening kinetics is revealed and explored in details, and mbar range of CO can lower the onset temperature of ripening by a few hundred kelvins. The present work reveals the crucial role of the metal-reactant complexes formed under reaction conditions on ripening of metal catalysts.展开更多
The relation between the critical radius and the particle size distribution for generalized Ostwald type ripening processes whereby the mass transfer coefficient is modelled by a power law was derived. The critical ra...The relation between the critical radius and the particle size distribution for generalized Ostwald type ripening processes whereby the mass transfer coefficient is modelled by a power law was derived. The critical radius is determined by the growth rate, the mass transfer coefficient and the mass balance, and is independent of whether the limiting stationary growth regime has been obtained.展开更多
基金supported by the Nuclear Regulatory Commission Fellowship Grant No.NRC-HQ-84-14-G-0035.
文摘While developing nuclear materials,predicting their behavior under long-term irradiation regimes span-ning decades poses a significant challenge.We developed a novel Kinetic Monte Carlo(KMC)model to explore the precipitation behavior of Y-Ti-O oxides along grain boundaries within nanostructured ferritic alloys(NFA).This model also assessed the response of the oxides to neutron irradiation,even up sim-ulated radiation damage levels in the desired long dpa range for reactor components.Our simulations investigated how temperature and grain boundary sinks influenced the oxide characteristics of a 12YWT-like alloy during heat treatments at 1023,1123,and 1223 K.The oxide characteristics observed in our simulations were in good agreement with existing literature.Furthermore,the impact of grain bound-aries on precipitation was found to be minimal.The resulting oxide configurations and positions were used in subsequent simulations that exposed them to simulated neutron irradiation to a total accumu-lated dose of 8 dpa at three temperatures:673,773,and 873 K,and at dose rates of 10-3,10-4,and 10-5 dpa/s.This demonstrated the expected inverse relationship between oxide size and dose rate.In a long-term irradiation simulation at 873 K and 10-3 dpa/s was taken out to 66 dpa and found the oxides in the vicinity of the grain boundary were more susceptible to dissolution.Additionally,we conducted irradia-tion simulations of a 14YWT-like alloy to reproduce findings from neutron irradiation experiments.The larger oxides in the 14YWT-like alloy did not dissolve and displayed stability similar to the experimental results.
基金National Natural Science Foundation of China(51301027,51571038)the Natural Science Foundation of Jiangsu Higher Education Institutions of China(14KJB430002)the Natural Science Foundation of Jiangsu Province(BK20151188)
基金Item Sponsored by Guiding Programme of Science and Technology Research of Hebei of China(94122123)
文摘In isothermal spheroidizing process,the spheroidization and growth of the carbide formed in hot-deformed high-carbon chromium cast steel at high temperature were investigated.The results showed that the spheroidizing growth of carbide proceeds in such a way that the bigger carbide particles swallow the smaller ones,and the short rhabdoid carbides dissolve and are spheroidized by itself.When the samples were held at 720℃ for more than 3 h,the spheroidization is not obvious.The feature of the process is the size increment and the amount decrement of carbide particles.The empirical equation for growth rate of carbides was obtained.The volume fraction of carbides keeps constant.The growth process agrees well with Ostwald Ripening Law.
文摘The Ostwald ripening of carbide particles occurs during the process of subcritical annealing in SCM435 steel, and the degree of ripening influences the microstructure and mechanical properties of the steel. The effects of Ostwald ripening were studied by simulating different soaking time at 680 ~C using SCM435 steel. The spheroidized specimens were analysed by conducting microstructure and mechanical tests. After increasing the soaking time from 2 to 6 h at 680 ~C during subcritical annealing, the number of carbide particles and the spheroidization ratio increased gradually, and the formability was improved. When the soaking time ranged from 6 to 8 h, the spheroidization ratio was similar; however, the number of carbide particles decreased, and the formability gradually worsened. Therefore, by comprehensively comparing the microstructures and mechanical properties, the optimum soaking time was determined to be 6 h at 680 ~C during subcritical annealing to obtain preferable cold heading. In addition, the carbide particles gradually coarsened when the soaking time was extended from 2 to 8 h. A formula was presented to quantitatively characterize the progress of Ostwald ripening of the carbide particles during the subcritical annealing of SCM435 steel, and the relative error was less than 8.02%.
基金General Research Project of Zhejiang Provincial Department of Education,Grant/Award Number:Y202250766National Natural Science Foundation of China,Grant/Award Numbers:21905208,22250410263Natural Science Foundation of Zhejiang Province,Grant/Award Numbers:LY23B030001,LZ18E030001。
文摘Hollow structuring has been identified as an effective strategy to enhance the cycling stability of electrodes for rechargeable batteries due to the outstanding volume expansion buffering efficiency,which motivates ardent pursuing on the synthetic approaches of hollow materials.Herein,an intriguing route,combining solid precursor transition and Ostwald ripening(SPTOR),is developed to craft nano single-crystal(SC)-constructed MnCO_(3) submicron hollow spindles homogeneously encapsulated in a reduced graphene oxide matrix(MnCO_(3) SMHSs/rGO).It is noteworthy that the H-bonding interaction between Mn_(3)O_(4) nanoparticles(NPs)and oxygen-containing groups on GO promotes uniform anchoring of Mn_(3)O_(4) NPs on GO,mild reductant ascorbic acid triggers the progressive solid-to-solid transition from Mn_(3)O_(4) NPs to MnCO_(3) submicron solid spindles(SMSSs)in situ on GO,and the Ostwald ripening process induces the gradual dissolution of interior polycrystals of MnCO_(3) SMSSs and subsequent recrystallization on surface SCs of MnCO_(3) SMHSs.Remarkably,MnCO_(3) SMHSs/rGO delivers a 500th lithium storage capacity of 2023 mAh g^(-1) at 1000 mAg^(-1),which is 10 times higher than that of MnCO_(3) microspheres/rGO fabricated from a conventional Mn^(2+)salt precursor(202 mAh g^(-1)).The ultrahigh capacity and ultralong lifespan of MnCO_(3) SMHSs/rGO can be primarily attributed to the superior reaction kinetics and reversibility combined with exceptional interfacial and capacitive lithium storage capability,enabled by the fast ion/electron transfer,large specific surface area,and robust electrode pulverization inhibition efficacy.Moreover,fascinating in-depth lithium storage reactions of MnCO_(3) are observed such as the oxidation of Mn^(2+)in MnCO_(3) to Mn^(3+)in charge process after long-term cycles and the further lithiation of Li_(2)CO_(3) in discharge process.As such,the Carbon Energy.SPTOR approach may represent a viable strategy for crafting various hollow functional materials with metastable nanomaterials as precursors.
基金supported by the National Key R&D Program of China(2017YB0602205)the National Natural Science Foundation of China(91645202)the Chinese Academy of Sciences(QYZDJSSW-SLH054)
文摘The dynamic and kinetic evolution of supported metal particles in the presence of reactants is decisive in shaping the nature of the catalytic active sites and the deactivation process. Ostwald ripening of FeO/Pt(111) supported Au particles in the presence of carbon monoxide is addressed here by firstprinciples kinetics. It is found that CO stabilizes the ripening monomer(Au atom) by forming favorable Au carbonyls with lower total activation energy, and corresponding phase diagram at wide range of temperature and CO pressures is constructed. Evolution of particle number, dispersion and particle size distribution of supported Au particles are explored. Great influence of CO promotion on ripening kinetics is revealed and explored in details, and mbar range of CO can lower the onset temperature of ripening by a few hundred kelvins. The present work reveals the crucial role of the metal-reactant complexes formed under reaction conditions on ripening of metal catalysts.
基金Project (No. 20076039) supported by the National Science Founda-tion of China
文摘The relation between the critical radius and the particle size distribution for generalized Ostwald type ripening processes whereby the mass transfer coefficient is modelled by a power law was derived. The critical radius is determined by the growth rate, the mass transfer coefficient and the mass balance, and is independent of whether the limiting stationary growth regime has been obtained.
