Experimental scratch tests and first-principles calculations were used to investigate the adhesion property of AlCrNbSiTi high-entropy alloy(HEA)coatings on zirconium substrates.AlCrNbSiTi HEA and Cr coatings were dep...Experimental scratch tests and first-principles calculations were used to investigate the adhesion property of AlCrNbSiTi high-entropy alloy(HEA)coatings on zirconium substrates.AlCrNbSiTi HEA and Cr coatings were deposited on Zr alloy substrates using multi-arc ion plating technology,and scratch tests were subsequently conducted to estimate the adhesion property of the coatings.The results indicated that Cr coatings had better adhesion strength than HEA coatings,and the HEA coatings showed brittleness.The special quasi-random structure approach was used to build HEA models,and Cr/Zr and HEA/Zr interface models were employed to investigate the cohesion between the coatings and Zr substrate using first-principles calculations.The calculated interface energies showed that the cohesion between the Cr coating and the Zr substrate was stronger than that of the HEA coating with Zr.In contrary to Al or Si in the HEA coating,Cr,Nb,and Ti atoms binded strongly with Zr substrate.Based on the calculated elastic constants,it was found that low Cr and high Al content decreased the mechanical performances of HEA coatings.Finally,this study demonstrated the utilization of a combined approach involving first-principles calculations and experimental studies for future HEA coating development.展开更多
Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical interaction.Cr coating has emerged as an important candidate for mitigating thi...Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical interaction.Cr coating has emerged as an important candidate for mitigating this chemical interaction.In this study,first-principles calculations were employed to investigate the diffusion behavior of Cs and I in the Cr bulk and grain boundaries to reveal the microscopic interaction mitigation mechanisms at the fuel-cladding interface.The interaction between these two fission products and the Cr coating were studied systematically,and the Cs and I temperature-dependent diffusion coefficients in Cr were obtained using Bocquet’s oversized solute-atom model and Le Claire’s nine-frequency model,respectively.The results showed that the Cs and I migration barriers were significantly lower than that of Cr,and the Cs and I diffusion coefficients were more than three orders of magnitude larger than the Cr self-diffusion coefficient within the temperature range of Generation-IV fast reactors(below 1000 K),demonstrating the strong penetration ability of Cs and I.Furthermore,Cs and I are more likely to diffuse along the grain boundary because of the generally low migration barriers,indicating that the grain boundary serves as a fast diffusion channel for Cs and I.展开更多
A Cr/Cr2N/CrN multilayer coating with a thickness of 24.4 μm was deposited by multi-arc ion plating. The coating was systematically characterized by field emission scanning electron microscopy(FESEM), X-ray photoelec...A Cr/Cr2N/CrN multilayer coating with a thickness of 24.4 μm was deposited by multi-arc ion plating. The coating was systematically characterized by field emission scanning electron microscopy(FESEM), X-ray photoelectron spectrometry(XPS), energy dispersive spectroscopy(EDS), X-ray diffraction(XRD) and transmission electron microscopy(TEM). Hardness and adhesion were tested by nanoindentation and scratch tester, respectively. The friction properties were investigated by a reciprocating UMT-3MT ball-on-disk tribometer in air and seawater. The results showed that the multilayer coating consisted of three different layers, with Cr,Cr2N and CrN phases, respectively. Compared with CrN single layer coating, the adhesion of the multilayer coating was improved significantly, the hardness of the multilayer coating was(21±2) GPa. The corrosion resistance of the multilayer coating was also improved in artificial seawater. The friction coefficient of multilayer coating was lower than that of CrN single layer coating both in air and seawater.展开更多
Cr/CrN multilayer coatings with bilayer periods in the range from 1351 to 260 nm were prepared on 304 stainless steel substrates by arc ion plating to study the microstructure and properties of multilayer coatings and...Cr/CrN multilayer coatings with bilayer periods in the range from 1351 to 260 nm were prepared on 304 stainless steel substrates by arc ion plating to study the microstructure and properties of multilayer coatings and stimulate their application.SEM results confirm the clear periodicity of the Cr/CrN multilayer coatings and the clear interface between individual layers.XRD patterns reveal that these multilayer coatings contain Cr,CrN and Cr_2N phases.Because Cr layer is softer than its nitride layer,the hardness decreases with the shortening of the bilayer period(or increasing volume fraction of Cr layer).The Cr/CrN multilayer coating with 862 nm period possesses the highest indentation toughness due to a proper individual Cr and nitride layer thickness.However,for the Cr/CrN multilayer with the bilayer period of 1351 nm,it possesses the lowest toughness due to more nitride phase.The indentation toughness of Cr/CrN multilayer coatings is related with their bilayer period.A coating with a proper individual Cr and nitride layer thickness possesses the highest indentation toughness.展开更多
基金supported by Stability Supports Research Project of Treasury Department(No.197801)Talent Fund of CIAE(No.219213)。
文摘Experimental scratch tests and first-principles calculations were used to investigate the adhesion property of AlCrNbSiTi high-entropy alloy(HEA)coatings on zirconium substrates.AlCrNbSiTi HEA and Cr coatings were deposited on Zr alloy substrates using multi-arc ion plating technology,and scratch tests were subsequently conducted to estimate the adhesion property of the coatings.The results indicated that Cr coatings had better adhesion strength than HEA coatings,and the HEA coatings showed brittleness.The special quasi-random structure approach was used to build HEA models,and Cr/Zr and HEA/Zr interface models were employed to investigate the cohesion between the coatings and Zr substrate using first-principles calculations.The calculated interface energies showed that the cohesion between the Cr coating and the Zr substrate was stronger than that of the HEA coating with Zr.In contrary to Al or Si in the HEA coating,Cr,Nb,and Ti atoms binded strongly with Zr substrate.Based on the calculated elastic constants,it was found that low Cr and high Al content decreased the mechanical performances of HEA coatings.Finally,this study demonstrated the utilization of a combined approach involving first-principles calculations and experimental studies for future HEA coating development.
基金the National Natural Science Foundation of China(No.12375282)the Key Laboratory of Computational Physical Sciences Project(Fudan University),Ministry of Education.
文摘Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical interaction.Cr coating has emerged as an important candidate for mitigating this chemical interaction.In this study,first-principles calculations were employed to investigate the diffusion behavior of Cs and I in the Cr bulk and grain boundaries to reveal the microscopic interaction mitigation mechanisms at the fuel-cladding interface.The interaction between these two fission products and the Cr coating were studied systematically,and the Cs and I temperature-dependent diffusion coefficients in Cr were obtained using Bocquet’s oversized solute-atom model and Le Claire’s nine-frequency model,respectively.The results showed that the Cs and I migration barriers were significantly lower than that of Cr,and the Cs and I diffusion coefficients were more than three orders of magnitude larger than the Cr self-diffusion coefficient within the temperature range of Generation-IV fast reactors(below 1000 K),demonstrating the strong penetration ability of Cs and I.Furthermore,Cs and I are more likely to diffuse along the grain boundary because of the generally low migration barriers,indicating that the grain boundary serves as a fast diffusion channel for Cs and I.
基金Project(51475449)supported by the National Natural Science Foundation of China
文摘A Cr/Cr2N/CrN multilayer coating with a thickness of 24.4 μm was deposited by multi-arc ion plating. The coating was systematically characterized by field emission scanning electron microscopy(FESEM), X-ray photoelectron spectrometry(XPS), energy dispersive spectroscopy(EDS), X-ray diffraction(XRD) and transmission electron microscopy(TEM). Hardness and adhesion were tested by nanoindentation and scratch tester, respectively. The friction properties were investigated by a reciprocating UMT-3MT ball-on-disk tribometer in air and seawater. The results showed that the multilayer coating consisted of three different layers, with Cr,Cr2N and CrN phases, respectively. Compared with CrN single layer coating, the adhesion of the multilayer coating was improved significantly, the hardness of the multilayer coating was(21±2) GPa. The corrosion resistance of the multilayer coating was also improved in artificial seawater. The friction coefficient of multilayer coating was lower than that of CrN single layer coating both in air and seawater.
基金Project(51171118)supported by the National Natural Science Foundation of ChinaProject(2012-4)supported by the Liaoning Provincial Key Laboratory of Advanced Materials,Shenyang University,China
文摘Cr/CrN multilayer coatings with bilayer periods in the range from 1351 to 260 nm were prepared on 304 stainless steel substrates by arc ion plating to study the microstructure and properties of multilayer coatings and stimulate their application.SEM results confirm the clear periodicity of the Cr/CrN multilayer coatings and the clear interface between individual layers.XRD patterns reveal that these multilayer coatings contain Cr,CrN and Cr_2N phases.Because Cr layer is softer than its nitride layer,the hardness decreases with the shortening of the bilayer period(or increasing volume fraction of Cr layer).The Cr/CrN multilayer coating with 862 nm period possesses the highest indentation toughness due to a proper individual Cr and nitride layer thickness.However,for the Cr/CrN multilayer with the bilayer period of 1351 nm,it possesses the lowest toughness due to more nitride phase.The indentation toughness of Cr/CrN multilayer coatings is related with their bilayer period.A coating with a proper individual Cr and nitride layer thickness possesses the highest indentation toughness.
基金Key Project of uclear Safety and Advanced Nuclear Technology,China(No.2019YFB1901002)Project supported by the State Key Laboratory of Powder Metallurgy,Central South University,China。
