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Cl-induced passivity breakdown in α-Fe_(2)O_(3)(0001), α-Cr_(2)O_(3)(0001),and their interface: A DFT study

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Journal of Materials Science & Technology 2022年第34期129卷 70-78页

作者： Xiaoran Yin ha.tao Wang en-hou ha. CAS Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and engineering University of Science and Technology of ChinaShenyang 110016China Institute of Corrosion Science and Technology Guangzhou 510530China

The presence of chloride ions is the critical factor of passivity breakdown of the protective film and eventually leads to localized corrosion. However, the mecha.ism and the role of chlorides in these processes are still controversial. Hematite and chromia are generally believed to be the major components of outer and inner oxide layers on stainless steels. In the present paper, a comparative study of Cl ingress into pristine and defective α-Fe_(2)O_(3)(0001) surface, α-Cr_(2)O_(3)(0001) surface, along with their interface, was conducted using density functional theory. Vacancy formation energy calculation confirms good stability of α-Cr_(2)O_(3)and high reactive activity of the interface region. Cl inserts into an O vacancy is energetically more favorable tha. Fe vacancy and interstitial site, demonstrating Cl-induced degradation complies with the ion excha.ge model. Transition state search for Cl diffusion through O vacancies shows α-Cr_(2)O_(3)is more protective tha. α-Fe_(2)O_(3), while the interface region is the weak point of the duplex passive film.

关键词： Hematite Chromia DFT+U Interface Cl-induced depassivation

Irradiation beha.iors of two novel single-pha.e bcc-structure high-entropy alloys for accident-tolerant fuel cladding

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Journal of Materials Science & Technology 2021年第25期84卷 230-238页

作者： Zijian Zha.g en-hou ha. Cha. Xiang Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang110016China School of Materials Science and engineering University of Science and Technology of ChinaShenyang110016China School of Materials Science and engineering Northeastern UniversityShenyang110819China

High-entropy alloys(HEAs)are potential alternative materials for accident-tolerant fuel cladding due to their excellent irradiation resistance and high-temperature corrosion *** this work,two novel body-centered cubic(bcc)structured Mo_(0.5)Nb Ti VCr_(0.25)and Mo_(0.5)Nb Ti V_(0.5)Zr_(0.25)HEAs were ***-ion irradiation was performed on the two HEAs to simulate neutron irradiation,and the crystal structure,ha.dness,and microstructure evolution were *** crystal structure of the Mo_(0.5)NbTiVCr_(0.25)HEA remained stable at low fluences,while amorphization may occur at high fluences in the two *** irradiation ha.dening value of the Mo_(0.5)NbTiVCr_(0.25)was 0.77 GPa at fluences of 1×10^(17)ions/cm^(2)and 1.49 GPa at fluences of 5×10^(17)ions/cm^(2),while the ha.dening value of the Mo_(0.5)NbTiV_(0.5)Zr_(0.25)was 1.36 GPa at ion fluences of 5×10^(17)ions/cm^(2).In comparison with most of the conventional alloys,the two HEAs showed slight irradiation *** helium bubbles and dislocation loops with small size were observed in the two HEAs after *** is the first time to report the formation of a dislocation loop in bcc-structure HEAs after ***,voids and precipitates were not observed in the two HEAs which could be ascribed to the high lattice distortion and compositional complexity of *** research revealed tha. the two HEAs show outstanding irradiation resistance,which may be promising accident-tolerant fuel cladding materials.

关键词： High-entropy alloy Accident-tolerant fuel cladding Helium-ion irradiation Microstructure Irradiation ha.dening

A multiphysics model for studying transient crevice corrosion of stainless steel

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Journal of Materials Science & Technology 2021年第1期60卷 186-196页

作者： Jiawei Ding ha.tao Wang en-hou ha. CAS Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang110016China School of Materials Science and engineering University of Science and Technology of ChinaHefei230026China

The transient crevice corrosion beha.ior of 304 stainless steel in NaCl solution ha. been investigated by a multiphysics coupling *** model considers local electrochemical reactions,transport of diffe rent species,and homogeneous *** moving mesh method is used to obtain the geometrical cha.ge of the crevice wall with time due to *** level set method is employed to quantitatively describe the influence of the precipitation process on electrochemical *** transient crevice corrosion morphology,potential and current distributions,and pH and chloride ion concentration distributions are obtained by *** effect of crevice geometry factors on the corrosion process is also *** simulation results are in good agreement with the experiments,showing tha. the model ha. high reliability.

关键词： Stainless steel Crevice corrosion Simulation Multiphysics Transient beha.ior

Solidification of Mg-Zn-Zr Alloys:Grain Growth Restriction,Dendrite Coherency and Grain Size

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Acta Metallurgica Sinica(english Letters) 2020年第11期33卷 1477-1486页

作者： Pei Li Danhui hou en-hou ha. Rongshi Chen Zhiwei Sha. State Key Laboratory for Mecha.ical Beha.ior of Materials Xi'an Jiaotong UniversityXi'an 710049China Institute of Metal Research Chinese Academy of SciencesShenyang 110016China

The solidification cha.acterization of Mg-xZn-0.5Zr(x=0,1,3,4,5 wt%)alloys ha. been extensively investigated through thermal analysis,microstructure cha.acterization and thermodynamic *** impact of Zn content on the grain growth restriction,dendrite coherency and thus the final grain size ha. been investigated and *** Zn content,the grain size of Mg-xZn-0.5Zr alloy was firstly refined and then coarsened with the finest grain size of^50μm for the Mg-3 Zn-0.5 Zr(ZK31)*** effects of the grain size on the mecha.ical properties were observed in the investigated *** combination of growth restriction factor theory and dendrite coherency point provides a reasonable explanation of the grain size *** helps to further understand the mecha.isms of grain refinement and grain coarsening related to solute content,providing reference for alloy design and grain size prediction.

关键词： Magnesium alloy Grain size Solute content Growth restriction Dendrite coherency Solidifi cation

Effects of Forging and Heat Treatments on the Microstructure and Oxidation Beha.ior of 316LN Stainless Steel in High Temperature Water

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Journal of Materials Science & Technology 2015年第4期31卷 403-412页

作者： Yueling Guo en-hou ha. Jianqiu Wang National Center for Materials Service Safety University of Science and Technology Beijing Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of Science

Microstructure of 316 LN stainless steel(ss),including the as-received material and samples processed by solution anneal treatment and stress relief treatment after forging,was cha.acterized by Vickers ha.dness(HV) testing and electron back scattering diffraction(EBSD).The oxide film formed on samples after immersion in borated and lithiated water at 583.15 K was investigated by scanning electron microscopy(SEM) and X-ray photoelectron spectroscopy(XPS).Results showed tha. the grain size of samples was largely reduced after *** fraction of coincidence site lattice(CSL) boundaries and lower residual strain were observed in samples with either solution anneal treatment or stress relief *** proportion of CSL boundaries was largely enha.ced by solution anneal treatment after forging,due to the recrystallization occurring during solution anneal *** oxide film grown on 316 LNss with solution anneal treatment after forging exhibited more strong protectiveness,as compared to the oxide film grown on samples with stress relief treatment after forging and the oxide film grown on asreceived samples without *** mecha.isms of oxidation were then discussed.

关键词： Stainless steel Forging Corrosion Residual strain

Effect of tannic acid on corrosion beha.ior of carbon steel in NaCl solution

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Journal of Materials Science & Technology 2019年第1期35卷 64-75页

作者： Wenhua Xu en-hou ha. Zhenyu Wang Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal Research Chinese Academy of Sciences University of Chinese Academy of Sciences

Corrosion beha.ior of unrusted Q235 carbon steel was investigated in 3.5% NaCl solutions with 1–5 wt%tannic acid addition, using electrochemical methods including electrochemical impedance spectra(EIS),potentiodynamic polarization and scanning vibrating electrode technique(SVET) combined with surface analysis. Results show tha. the corrosion rate decreases with increasing tannic acid concentration. As compared with tannic acid-free solution, 1% tannic acid does not provide inhibition effect during the whole immersion, while inhibition effect is observed for 3% tannic acid after 8 h and for 5% tannic acid after 4 h. The inhibition efficiency by weight loss measurements(áw) for 1%, 3%, and 5% tannic is around-17.2%, 40.3%, and 51.5%, respectively. Corrosion of unrusted carbon steel in the presence of tannic acid is attributed to the joint effect of tannic acid adsorption and pH decrease. Formation of ferric-tannates is verified by X-ray photoelectron spectroscopy(XPS) and Raman spectra. The reaction mecha.ism between tannic acid and unrusted carbon steel is proposed.

关键词： Tannic acid Unrusted carbon steel Ferric-tannates EIS Corrosion

Pitting corrosion of a Rare Earth Mg alloy GW93

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Journal of Materials Science & Technology 2017年第9期33卷 954-960页

作者： Yingwei Song Dayong Sha. en-hou ha. Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of Sciences

Pitting corrosion of magnesium(Mg) alloys is greatly associated with their microstructure, especially second pha.es. The second pha.es in traditional Mg alloys such as AZ91 are electrochemically nobler tha. Mg matrix, while the second pha.es in Rare earth(RE) Mg alloy GW93 are more active tha. Mg matrix. As a result, the pitting corrosion mecha.ism of Mg alloy GW93 is different from the traditional ones. This paper aims to clarify the pitting corrosion mecha.ism of Mg alloy GW93 through the studies of Volta potential by Scanning Kelvin Probe Force Microscopy(SKPFM), corrosion morphology by Scanning Electron Microscope(SEM), and corrosion resistance by electrochemical tests. Results reveal tha. the pitting corrosion of GW93 includes three stages, first, dissolution of the second pha.es, followed by corrosion of Mg matrix adjacent to the dissolved second pha.es, and finally, propagation of corrosion pits along the depth direction of the dissolved second pha.es. Anodic second pha.es and enrichment of Clin the thick corrosion product films dominate the propagation of pitting corrosion.

关键词： Mg alloys Pitting corrosion Second pha.es Oxide films

Cha.acteristics of Oxidation and Oxygen Penetration of Alloy 690 in 600°C Aerated Supercritical Water

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Journal of Materials Science & Technology 2018年第3期34卷 561-569页

作者： Xiangyu Zhong Xinqiang Wu en-hou ha. CAS Key Laboratory of Nuclear Materials and Safety Assessment Liaoning Key Laboratory for Safety and Assessment Technique of Nuclear MaterialsInstitute of Metal ResearchChinese Academy of SciencesShenyang 110016China

The oxide films formed on Alloy 690 exposed to 600 ℃ supercritical water were cha.acterized using mass measurement, X-ray diffraction. Raman spectroscopy, scanning electron microscopy equipped with energy dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy. It was found tha. the mass gain of the alloy in supercritical water decreased with increasing exposure time. The oxide films ha.e a double-layer structure, with an inner layer rich in Cr and outer layer rich in Ni and Fe after short time and long time exposure. The penetration of the oxide along the grain boundaries was observed, and the penetration depth increased with increasing exposure time. The grain boundaries and voids are the short-path of oxygen diffusion into the metal.

关键词： Ni-based alloy XPS Supercritical water High temperature corrosion High temperature oxidation Oxide film

Multi-stimuli-triggered and self-repairable fluorocarbon organic coatings with urea-formaldehyde microcapsules filled with fluorosilane

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Journal of Materials Science & Technology 2020年第10期42卷 70-83页

作者： Paul CUzoma Fuchun Liu en-hou ha. Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang110016China School of Materials Science and engineering University of Science and Technology of ChinaHefei230026China Shenyang Zhongke engineering Technology Center for Corrosion Control Shenyang110016China Department of Polymer and Textile engineering Federal University of TechnologyP.M.B.1526OwerriNigeria

For the purpose of overcoming the lack of durability problems associated with superhydrophobic surfaces which hitherto ha. limited their use;we prepared multi-stimuli wettability response coatings using a mixture of fluorocarbon resin and urea-formaldehyde microcapsules filled with fluorosilane via interfacial polymerization *** microcapsules are of good thermal stability and can be triggered to release their core content on exposure to atmospheric conditions resulting in the increase in the water contact angle from 97°to 151°.The prepared coatings gave good adhesion strength,and also showed an increase in the hydrophobic property after undergoing scratch,solvent and UV accelerated aging *** addition,they offered good self-healing of the hydrophobic property after an initial loss due to alkaline immersion and oxygen plasma *** electrochemical measurements revealed a remarkable impedance recovery and suppression of corrosion activities,suggesting them to be a potential candidate material for corrosion protection.

关键词： Multi-stimuli Microcapsules Superhydrophobic Self-healing Coatings Anti-corrosion