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Nano Research 2021年第12期14卷 4528-4533页

作者： Lanqian Gong Huan Yang Hongming Wang Ruijuan Qi Junlei Wang Shenghua Chen Bo You Zehua Dong Hongfang Liu Bao Yu Xia Key laboratory of Material Chemistry for Energy Conversion and Storage(Ministry of Education) Hubei Key Laboratory of Material Chemistry and Service FailureWuhan National Laboratory for OptoelectronicsSchool of Chemistry and Chemical EngineeringHuazhong University of Science and Technology(HUST)Wuhan430074China School of Materials Science and Engineering Wuhan Institute of TechnologyWuhan430074China Institute for Advanced Study Nanchang UniversityNanchang330000China Department of Information Science and Technology East China Normal UniversityShanghai200240China

Designing earth-abundant electrocatalysts with high performance towards water oxidation is highly decisive for the sustainable energy technologies. This study develops a facile natural corrosion approach to fabricate nickel-iron hydroxides for water oxidation. The resulted electrode demonstrates an outstanding activity and stability with an overpotential of 275 mV to deliver 10 mA·cm^(−2). Experimental and theoretical results suggest the corrosion-induced formation of hydroxides and their transformation to oxyhydroxides would account for this excellent performance. This work not only provides an interesting corrosion approach for the fabrication of excellent water oxidation electrode, but also bridges traditional corrosion engineering and novel materials fabrication, which would offer some insights in the innovative principles for nanomaterials and energy technologies.

关键词： water oxidation electrocatalyst corrosion hydroxide phase transformation

Insights into the nucleation,grain growth and phase transformation behaviours of sputtered metastableβ-W films

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Journal of Materials Science & Technology 2021年第31期90卷 66-75页

作者： Shuqun Chen Jinshu Wang Ronghai Wu Zheng Wang Yangzhong Li Yiwen Lu Wenyuan Zhou Peng Hua Hongyi Lia Key Laboratory of Advanced Functional Materials Education Ministry of ChinaFaculty of Materials and ManufacturingBeijing University of TechnologyBeijing 100124China School of Mechanics Civil Engineering and ArchitectureNorthwestern Polytechnical UniversityXi’an 710129China High Performance Computing Department National Supercomputing Center in ShenzhenShenzhen 518055China China Ship Development and Design Center Wuhan 430074China

Metastable phase in tungsten film is of great interests in recent years due to its giant spin Hall effects,however,little information has been known on its nucleation,growth and phase *** this paper,a 900 nm-thick tungsten film with double-layer structure(α-W underlayer andβ-W above it)was produced on SiO_(2)/Si substrate by high vacuum magnetron sputtering at room *** structural properties ofβ-W were systemically investigated by X-ray diffraction,transmission electron microscopy,thermodynamic calculation,first-principle and phase-field *** is found that theβ-W nucleation is energetically favoured on the SiO_(2)surface compared to theα-W *** the film thickening proceeds,β-W[211]turns to be preferred direction of growth owing to the elastic strain energy minimization,which is verified by phase-field ***,theβ→αphase transformation takes place near the film-substrate interface while the rest of the film keeps theβ-W phase,leading to a doublelayer *** localized phase transition is induced by lower Gibbs free energy ofα-W phase at larger grain sizes,which can be confirmed by thermodynamic *** in-situ heating TEM analysis of the as-deposited film reveals that theβ→αphase transformation is fulfilled byα/βinterface propagation rather than local atomic *** findings offer valuable insights into the intrinsic properties of metastable phase in tungsten.

关键词： Metastable phases Tungsten Nucleation and growth phase field modelling phase transformation

Microstructure Evolution and phase transformation of Ti–6.5Al–2Zr–Mo–V Alloy During Thermohydrogen Treatment

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Acta Metallurgica Sinica(English Letters) 2015年第4期28卷 505-513页

作者： Hong-Chao Kou Han-Lei Zhang Yu-Dong Chu Dong Huang Hai Nan Jin-Shan Li State Key Laboratory of Solidification Processing Northwestern Polytechnical University Beijing Institute of Aeronautical Materials

Thermohydrogen treatment （THT） is an effective way to refine microstructure and improve the mechanical properties of the titanium alloys. In the current work, as-cast Ti-6.5Al-2Zr-Mo-V alloy was hydrogenated with different hydrogen contents and processed solution aging. Accordingly, the microstructure evolution and phase transformation were analyzed. Results show that during solution aging, eutectoid decomposition occurs and the product is a mixture of coarse primaryα, fine eutectoid product and undecomposed βH. The size of primary α is closely dependent on the hydrogen content, and large primary α can be obtained at medium hydrogen content. Further, the influence of hydrogen content on the growth of primary α phase was revealed. The primary α is much fine, and the eutectoid product is relatively homo- geneous with 0.984 wt% H. After THT, the ultimate strength is beyond 1,100 MPa that has increased by 23.15% compared with that in as-cast state.

关键词： Titanium alloy Hydrogen Heat treatment phase transformation Eutectoid decomposition Mechanical property

Microstructure,phase transformation,Precipitation Behavior and Mechanical Properties of P/M Cu40Zn-1.0 wt%Ti Brass Alloy via Spark Plasma Sintering and Hot Extrusion

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Journal of Materials Science & Technology 2013年第11期29卷 1018-1024页

作者： Shufeng Li Hisashi Imai Katsuyoshi Kondoh Faculty of Materials Science and Engineering Xi'an University of Technology Joining and Welding Research Institute Osaka University

The effect of titanium addition on the microstructure and mechanical properties of brass Cu4OZn has been studied via the powder metallurgy （P/M） route. The water-atomized Cu4OZn-1.0 wt% Ti alloy powder was consolidated at different temperatures in the range of 400-600℃ using spark plasma sintering （SPS） and hot extrusion subsequently. Results show that the super-saturated solid solution titanium element in rapidly cooled brass Cu4OZn powder created high chemical potential for a precipitate reaction, showing significant grain refinement effects on the consolidated Cu4OZn matrix. Consequently, excellent mechanical properties were obtained by precipitation hardening and work hardening after sintering and extrusion, with yield strength of 390 MPa, ultimate tensile strength of 617 MPa, and Vickers micro-hardness of 192 HV, which are 28.7%, 23.4%, and 23.9% higher values than those of extruded Cu4OZn brass, respectively.

关键词： Brass Spark plasma sintering Extrusion Microstructure Mechanical property Precipitation phase transformation

Influence of cooling rate on phase transformation and microstructure of Ti-50.9%Ni shape memory alloy

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Transactions of Nonferrous Metals Society of China 2012年第11期22卷 2685-2690页

作者：张艳秋江树勇赵亚楠唐明哈尔滨工程大学工程训练中心哈尔滨150001

Heat treatment of Ti-50.9%Ni （mole fraction） alloy was studied by differential scanning calorimetry, X-ray diffraction, scanning electron microscopey and energy dispersive X-ray analysis to investigate the influence of cooling rate on transformation behavior and microstructures of NiTi shape memory alloy. The experimental results show that three-stage phase transformation can be induced at a very low cooling rate such as cooling in furnace. The cooling rate also has a great influence on the phase transformation temperatures. Both martensitic start transformation temperature （Ms） and martensitic finish transformation temperature （Mf） decrease with the decrease of the cooling rate, and decreasing the cooling rate contributes to enhancing the M→A austenite transformation temperature. The phase transformation hysteresis （Af-Mf） increases with the decrease of the cooling rate. Heat treatment is unable to eliminate the textures formed in hot working of NiTi sample, but can weaken the intensity of them. The cooling rate has little influence on the grain size.

关键词： NiTi alloy shape memory alloy phase transformation cooling rate martensitic transformation temperature austenite transformation temperature

Metal substrates-induced phase transformation of monolayer transition metal dichalcogenides for hydrogen evolution catalysis

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Chinese Physics B 2021年第11期30卷 481-487页

作者： Zhe Wang Wenguang Zhu Department of Physics University of Science and Technology of ChinaHefei 230026China International Center for Quantum Design of Functional Materials(ICQD) Hefei National Laboratory for Physical Sciences at the Microscaleand Synergetic Innovation Center of Quantum Information and Quantum PhysicsUniversity of Science and Technology of ChinaHefei 230026China Key Laboratory of Strongly-Coupled Quantum Matter Physics Chinese Academy of SciencesSchool of Physical SciencesUniversity of Science and Technology of ChinaHefei 230026China

Monolayer transition metal dichalcogenides can normally exist in several structural polymorphs with distinct electrical,optical,and catalytic *** control of the relative stability and transformation of different phases in these materials is thus of critical importance for *** density functional theory calculations,we investigate the effects of low-work-function metal substrates including Ti,Zr,and Hf on the structural,electronic,and catalytic properties of monolayer MoS_(2) and WS_(2).The results indicate that such substrates not only convert the energetically stable structure from the 1H phase to the 1T'/1T phase,but also significantly reduce the kinetic barriers of the phase ***,our calculations also indicate that the 1T' phase of MoS_(2) with Zr or Hf substrate is a potential catalyst for the hydrogen evolution reaction.

关键词： transition metal dichalcogenides phase transformation hydrogen evolution reaction density functional theory

Site occupation evolution of alloying elements in Ni_3 V phase during phase transformation in Ni_(75)Al_(4.2)V_(20.8)

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Transactions of Nonferrous Metals Society of China 2015年第5期25卷 1599-1604页

作者：张明义李志刚张金玲张会占陈铮张嘉振中国工程物理研究院流体物理研究所绵阳621900 中国商用飞机有限责任公司北京民用飞机技术研究中心北京100083 西北工业大学凝固技术重点实验室西安710072

Based on the microscopic phase-field model, the correlation between site occupation evolution of alloying elements in Ni3V-DO22 phase and growth of Ni3Al-L12 phase was studied during the phase transformation of Ni75Al4.2V20.8. The results demonstrate that the growth of L12 phase can be divided into two stages： at the early stage, the composition of alloying elements in DO22 phase almost remains unchanged; at the late stage, the compositions of Ni and Al decrease while V increases in DO22 phase. Part of alloying elements for L12 phase growth are supplied from the site occupation evolution of alloying elements on three kinds of sublattices in DO22 phase. Ni is mainly supplied from V sublattice, and part of Al is supplied from NiⅠ and V sites at the centre of DO22 phase. The excessive V from the decreasing DO22 phase migrates into the centre of DO22 phase and mainly occupies V and NiII sites. It is the site occupation evolution of antisite atoms and ternary additions in DO22 phase that controls the growth rate of L12 phase at the late stage.

关键词： Ni75Al4.2V20.8 alloy grain growth phase transformation microscopic phase-field antisite defect

Deformation and phase transformation behaviors of a high Nb-containing TiAl alloy compressed at intermediate temperatures

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Journal of Materials Science & Technology 2022年第7期102卷 89-96页

作者： Xu Liu Lin Song Andreas Stark Uwe Lorenz Zhanbing He Junpin Lin Florian Pyczak Tiebang Zhang State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Institute of Materials Research Helmholtz-Zentrum GeesthachtMax Planck-Str.1Geesthacht 21502Germany State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China

In modernβ-solidified TiAl alloys,the decomposition of α_(2) phase is frequently observed during heat treatment or high-temperature deformation of the *** this study,high-temperature deformation and decomposition mechanisms of α_(2) phase in a Ti-45Al-8.5Nb-0.2B-0.2W-0.02Y alloy are *** a sample deformed at 800℃,the precipitation ofβ_(o)(ω_(o))phase is observed within the equiaxed α_(2) *** nucleation ofω_(o) particles within theβ_(o) matrix indicates the α_(2)→β_(o)→ω_(o) *** addition,numerous y phase precipitates form within theβ_(o)(ω)*** α_(2) lamellae decompose into ultrafine( α_(2)+γ)lamellae and coarsened y lamellae via α_(2)→ α_(2)+γand α_(2)→γtransformation,***,theω_(o) phase nucleates within the ultrafine lamellae via α_(2)→ω_(o) ***,in a sample deformed at 1000℃,the nucleation ofβ_(o) particles is sluggish,which is caused by the efficient release of the internal stress via dynamic recrystallization(DRX).These results indicate that complex phase transformations can be introduced by the decomposition of α_(2) phase in TiAl alloys with a high amount ofβ-stabilizing elements.

关键词： TiAl alloys phase transformation Microstructure Electron microscopy

Strain-rate-induced bcc-to-hcp phase transformation of Fe nanowires

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Chinese Physics B 2016年第12期25卷 361-366页

作者：谢红献于涛方伟殷福星 Dil Faraz Khan School of Mechanical Engineering Hebei University of Technology Tianjin 300132 China Central Iron and Steel Research Institute Beijing 100081 China Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology Tianjin 300132 China Research Institute for Energy Equipment Materials Hebei University of Technology Tianjin 300132 China Department of Physics University of Science and Technology Bannu Bannu 28100 Pakistan

Using molecular dynamics simulation method, the plastic deformation mechanism of Fe nanowires is studied by applying uniaxial tension along the [110] direction. The simulation result shows that the bcc-to-hcp martensitic phase transformation mechanism controls the plastic deformation of the nanowires at high strain rate or low temperature; however, the plastic deformation mechanism will transform into a dislocation nucleation mechanism at low strain rate and higher temperature. Furthermore, the underlying cause of why the bcc-to-hcp martensitic phase transition mechanism is related to high strain rate and low temperature is also carefully studied. Based on the present study, a strain rate-temperature plastic deformation map for Fe nanowires has been proposed.

关键词： Fe nanowires atomistic simulations phase transformation

Mechanism and morphology evolution of the O phase transformation in Ti-22Al-25Nb alloy

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Journal of Materials Science & Technology 2021年第30期89卷 97-106页

作者： Zong Yingying Wang Jiwei Shao Bin Tang Wei Shan Debin National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of TechnologyHarbin150001China

The phase transformation and microstructure in Ti-22Al-25Nb alloy are extremely *** this work,the morphology evolution of the O phase during the heating and cooling process was investigated by electron backscatter diffraction(EBSD)and first-principles *** results show that the O→α_(2)phase transformation process during the heating process is as follows:spheroidization of the O phase occurs first,then theα_(2)phase nucleates in the spheroidized O phase,grows and replaces the O phase,completing the O→α_(2)phase *** the meanwhile,the diffusion of Nb from Nb-poor O to Nb-rich B2 phases is a back-diffusion *** to first-principles calculations,the driving force of the O→α_(2)phase transformation is the difference in the free energies of formation for the two phases(0.09 eV/atom).When the Nb content is greater than 15.625%,the lattice distortion of theα_(2)phase sharply increases,and the distortion energy drives the back-diffusion of *** the cooling process,theα_(2)→O phase transformation is difficult and slow due to the difficult diffusion of Nb from the B2 toα_(2)*** holding for 60 min at 960℃,the coarseα_(2)phase gradually transforms to the O phase from the margin to the inside,forming a dispersed mixed structure of the O andα_(2)*** the B2→O transformation,the nucleation of the O phase induces a high stress region,in the range of approximately 200 nm.

关键词： Ti-22Al-25Nb alloy phase transformation Microstructure O phase First-principles