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The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure
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作者 Tangpeng Ma Jin Wang +5 位作者 Kaiming Cheng Chengwei Zhan jixue zhou Jingyu Qin Guochen Zhao Xinfang Zhang 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第2期815-824,共10页
In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular... In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level. 展开更多
关键词 Mg-Y-Zn Chemical environment Structural ordering ab-initio molecular dynamics
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Comparison of the effects of pre-activators on morphology and corrosion resistance of phosphate conversion coating on magnesium alloy
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作者 Tao Li Zhongjun Leng +4 位作者 Shifang Wang Xitao Wang Reza Ghomashchi Yuansheng Yang jixue zhou 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2022年第12期3485-3494,共10页
In this study, Mg–6.0Zn–3.0Sn–0.5Mn(ZTM630) magnesium alloy was pre-activated by colloidal Ti, oxalic acid, and phosphoric acid,and a phosphate conversion coating(PCC) was prepared on the alloy surface. The morphol... In this study, Mg–6.0Zn–3.0Sn–0.5Mn(ZTM630) magnesium alloy was pre-activated by colloidal Ti, oxalic acid, and phosphoric acid,and a phosphate conversion coating(PCC) was prepared on the alloy surface. The morphology and corrosion resistance of the prepared PCCs were investigated. Surface morphology studies showed that the phosphate crystals that formed the coating were the smallest for the sample pre-activated by phosphoric acid. The coating on the colloidal Ti and the phosphoric acid samples had the largest and the smallest thickness and surface roughness, respectively. The reason for the discrepancy was analyzed by comparing the surface morphologies of alloy samples immediately after the pre-activation treatment and various phosphating treatments. X-ray diffraction analysis revealed that all three PCCs contained the same compounds. The corrosion resistance time from the copper sulfate drop test and the electrochemical data from the potentiodynamic polarization curves showed that the coating pre-activated by phosphoric acid had the best corrosion resistance. Finally, the 1500 h neutral salt spray corrosion test confirmed that the phosphating treated magnesium alloy, which was pre-activated by phosphoric acid,exhibited excellent corrosion resistance and behavior. 展开更多
关键词 Phosphate conversion coating Surface pre-activator Magnesium alloy MORPHOLOGY Corrosion
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Particles Morphology and Forming Analysis of Al-Si-Cu-Mg Alloys
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作者 Shouren Wang Yiping Tang +2 位作者 Yang Qiao JaeHyung Cho jixue zhou 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2015年第6期85-91,共7页
The study aims at observation of precipitation distribution micrograph and analysis of forming kinetics mechanism of microstructure particles of Al-Si-Cu-Mg alloys. The microstructure morphology of some particles such... The study aims at observation of precipitation distribution micrograph and analysis of forming kinetics mechanism of microstructure particles of Al-Si-Cu-Mg alloys. The microstructure morphology of some particles such as primary silicon and precipitates from the matrix of Al-Si-Cu-Mg alloys is observed by OM,SEM and EDS. The primary silicon forming kinetics is analyzed by EBSD. Twin plane re-entrant edge growth mode results in the blocky or diamonded TRD morphology formation. The precipitates of Q-Al5Cu2Mg8Si6,θ-Al2Cu,β-Al5FeSi and ε-Mg2Si are characterized by EDS and they are distributed in the eutectic region. The forming kinetics of them is analyzed by DSC. Six peaks are present in particles formation in different temperature ranges.The particles forming are determined by the analysis of the DSC traces during heating and cooling of Al-Si-CuMg alloys. 展开更多
关键词 PRECIPITATES MORPHOLOGY kinetics Al-Si-Cu-Mg alloy DSC
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Diffusion growth of Φ ternary intermetallic compound in the Mg-Al-Zn alloy system:In-situ observation and modeling
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作者 Kaiming Cheng Jiaxing Sun +7 位作者 Huixia Xu Jin Wang Chengwei Zhan Reza Ghomashchi jixue zhou Shouqiu Tang Lijun Zhang Yong Du 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2021年第1期222-229,共8页
Study on the diffusion growth of ternary intermetallic compounds in Mg-Al-Zn based light-weight alloys is important due to its close interrelation with alloy property.However,there is a very lack of existing data due ... Study on the diffusion growth of ternary intermetallic compounds in Mg-Al-Zn based light-weight alloys is important due to its close interrelation with alloy property.However,there is a very lack of existing data due to difficulties in both experimental and computational aspects.The current work aims at presenting the experimental observation on the diffusion growth behavior of Φ phase at 360℃ as well as calculating its composition-dependent interdiffu sion coefficients.We designed and succes s fully fabricated four Mg-τ ternary diffusion couples annealed at 360℃ for different times,where the diffusion path goes across the Φ phase region and the diffusion growth of ternary intermetallic compound can be solely detected.In-situ observation of the time-dependent growth of Φ phase was performed to accurately determine the parabolic growth constant.The experimental data were then subjected to a numerical inverse method to generate a set of self-consistent interdiffusivities of the ternary intermetallic compounds,which can reproduce the presently observed diffusion growth behavior of Φ ternary intermetallic compound in Mg-τ diffusion couples. 展开更多
关键词 DIFFUSION Intermetallic compounds Interface migration Numerical inverse methods High-temperature laser-scanning confocal microscopy(HTLSCM)
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Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
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作者 Kaiming Cheng Huixia Xu +4 位作者 Lijun Zhang jixue zhou Xitao Wang Yong Du Ming Chen 《npj Computational Materials》 SCIE EI CSCD 2021年第1期1074-1083,共10页
The Ce_(0.8)Gd_(0.2)O_(2)−δ(CGO)interlayer is commonly applied in solid oxide fuel cells(SOFCs)to prevent chemical reactions between the(La_(1−x)Sr_(x))(Co_(1−y)Fe_(y))O_(3−δ)(LSCF)oxygen electrode and the Y_(2)O_(3... The Ce_(0.8)Gd_(0.2)O_(2)−δ(CGO)interlayer is commonly applied in solid oxide fuel cells(SOFCs)to prevent chemical reactions between the(La_(1−x)Sr_(x))(Co_(1−y)Fe_(y))O_(3−δ)(LSCF)oxygen electrode and the Y_(2)O_(3)-stabilized ZrO_(2)(YSZ)electrolyte.However,formation of the YSZ–CGO solid solution with low ionic conductivity and the SrZrO_(3)(SZO)insulating phase still happens during cell production and long-term operation,causing poor performance and degradation.Unlike many experimental investigations exploring these phenomena,consistent and quantitative computational modeling of the microstructure evolution at the oxygen electrode–electrolyte interface is scarce.We combine thermodynamic,1D kinetic,and 3D phase-field modeling to computationally reproduce the element redistribution,microstructure evolution,and corresponding ohmic loss of this interface.The influences of different ceramic processing techniques for the CGO interlayer,i.e.,screen printing and physical laser deposition(PLD),and of different processing and long-term operating parameters are explored,representing a successful case of quantitative computational engineering of the oxygen electrode–electrolyte interface in SOFCs. 展开更多
关键词 ELECTROLYTE ELECTRODE INTERFACE
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