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Negative enthalpy alloys and local chemical ordering:a concept and route leading to synergy of strength and ductility

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National science Review 2024年第4期11卷 172-184页

作者： Zibing An Tao Yang Caijuan Shi Shengcheng Mao Lihua Wang Ang Li Wei Li Xianmeng Xue Ming Sun Yifan Bai Yapeng He Fuzeng Ren Zhouguang Lu Ming Yan Yang Ren Chain-Tsuan Liu Ze Zhang Xiaodong Han Beijing Key Lab of Microstructure and Property of Advanced materials College of Materials Science &Engineering Beijing University of Technology department of materials science and Engineering City University of Hong Kong Key Laboratory of Partial Acceleration Physics& Technology Institute of High Energy PhysicsChinese Academy of Sciences department of materials science &Engineering Southern University of Science and Technology department of Physics City University of Hong Kong State Key Laboratory of Silicon materials Department of Materials Science and Engineering Zhejiang University

Solid solutions are ubiquitous in metals and alloys. Local chemical ordering(LCO) is a fundamental sub-nano/nanoscale process that occurs in many solid solutions and can be used as a microstructure to optimize strength and ductility. However, the formation of LCO has not been fully elucidated, let alone how to provide efficient routes for designing LCO to achieve synergistic effects on both superb strength and ductility. Herein, we propose the formation and control of LCO in negative enthalpy alloys. With engineering negative enthalpy in solid solutions, genetic LCO components are formed in negative enthalpy refractory high-entropy alloys(RHEAs). In contrast to conventional ‘trial-and-error' approaches, the control of LCO by using engineering negative enthalpy in RHEAs is instructive and results in superior strength(1160 MPa) and uniform ductility(24.5%) under tension at ambient temperature, which are among the best reported so far. LCO can promote dislocation cross-slip, enhancing the interaction between dislocations and their accumulation at large tensile strains; sustainable strain hardening can thereby be attained to ensure high ductility of the alloy. This work paves the way for new research fields on negative enthalpy solid solutions and alloys for the synergy of strength and ductility as well as new functions.

关键词： negative enthalpy alloys local chemical ordering strength ductility dislocation

Quantification of grain boundary effects on the geometrically necessary dislocation density evolution and strain hardening of polycrystalline Mg-4Al using in situ tensile testing in scanning electron microscope and HR-EBSD

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Journal of Magnesium and Alloys 2024年第5期12卷 1815-1829页

作者： Eunji Song Mohsen Taheri Andani Amit Misra department of materials science and Engineering University of Michigan department of Mechanical Engineering University of Michigan

In situ tensile testing in a scanning electron microscope(SEM) in conjunction with high-resolution electron backscatter diffraction(HR-EBSD) under load was used to characterize the evolution of geometrically necessary dislocation(GND) densities at individual grain boundaries as a function of applied strain in a polycrystalline Mg-4Al alloy. The increase in GND density was investigated at plastic strains of 0 %,0.6 %, 2.2 %, 3.3 % from the area including 76 grains and correlated with(i) geometric compatibility between slip systems across grain boundaries, and(ii) plastic incompatibility. We develop expressions for the grain boundary GND density evolution as a function of plastic strain and plastic incompatibility, from which uniaxial tensile stress-strain response of polycrystalline Mg-4Al are computed and compared with experimental measurement. The findings in this study contribute to understanding the mechanisms governing the strain hardening response of single-phase polycrystalline alloys and more reliable prediction of mechanical behaviors in diverse microstructures.

关键词： Mg Al alloys Grain boundaries Geometrically necessary dislocations Strain gradient plasticity HR-EBSD

Possibility and stabilizing effect of Mo clusters in the Ni-based single-crystal superalloy

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Communications in Theoretical Physics 2024年第08期76卷 189-194页

作者： Yiqun Du Huixin Jin Rongkai Kang Boya Zhang Han Wang Jianxin Zhang Key Laboratory for Liquid–Solid Structural Evolution and Processing of materials (Ministry of Education) School of Materials Science and Engineering Shandong University department of materials science and Technology Tokyo University of Science

Nickel-based single-crystal superalloys are crucial materials for the preparation of aero-engine turbine blades. Many solute elements are added to superalloys for strengthening. However, the relationship between the clustering behavior of solute atoms and the properties of nickel-based single-crystal superalloys is still unclear. Herein, we conduct first-principles calculations onγ phases with Mo-Mo and Mo-Mo-Ru clusters to reveal the possibility and stabilizing mechanism of solute clusters. Introducing Mo lowers the total energy, binding energy, and formation energy of the γ phase due to the replacement of weak Ni-Ni interaction with strong Mo-Ni bonding. Note that the γ phase containing the Mo-Mo cluster is more stable than that containing a Mo single atom, possibly owing to a wide affecting range. The Ru atom added to the γ phase can further boost system stability, and it tends to form a Mo-Mo-Ru cluster. The stabilizing impact of the Mo-Mo-Ru cluster is demonstrated to be the replacement of weak Ni-Mo interaction by the strong Ru-Mo interaction, which may be derived from the enhanced d-orbital hybridization.

关键词： density functional theory solute cluster superalloys

Microstructure and magnetocaloric properties of melt-extracted SmGdDyCoAl high-entropy amorphous microwires

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Rare Metals 2024年第3期43卷 1234-1242页

作者： Shi-Jie Wei Hong-Xian Shen Lun-Yong Zhang Lin Luo Xin-Xing Tang Jian-Fei Sun Xiao-Qing Li School of materials science and Engineering Harbin Institute of TechnologyHarbin150001China Applied materials Physics Department of Materials Science and EngineeringKTH-Royal Institute of Technology10044StockholmSweden

This paper presents a systematic investigation of the microstructure and magnetocaloric properties of melt-extracted Sm_(20)Gd_(20)Dy_(20)Co_(20)Al_(20)high-entropy *** fabricated wires exhibited an amorphous structure,and the temperature interval of the undercooled liquid AT was 45 *** microwires underwent a second-order magnetic transition from a ferromagnetic to a paramagnetic state near the Curie temperature(T_(C)=52 K),The maximum magnetic entropy change(-ΔS_M^(max)),the relative cooling power and the refrigeration capacity reached 6.34 J·kg^(-1)·K^(-1).422.09 J·kg^(-1)and 332.94 J·kg^(-1),respectively,under a magnetic field change of 5 *** addition,the temperature-averaged entropy changes with two temperature lifts(3 and 10 K)were 6.32 and 6.27 J·kg^(-1)·K^(-1),*** good magnetocalorie performance highlights the significant potential for the Sm_(20)Gd_(20)Dy_(20)Co_(20)Al_(20)microwires to be used as magnetic refrigerant materials in low-temperature region *** work will serve as a valuable reference for future investigations on low-temperature high-entropy magnetocaloric materials.

关键词： Melt-extraction High-entropy amorphous microwires Magnetocaloric effect Magnetic refrigeration

Enhancing BiVO_(4)photoanode performance by insertion of an epitaxial BiFeO_(3)ferroelectric layer

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Journal of Energy Chemistry 2024年第2期89卷 71-78,I0003页

作者： Haejin Jang Yejoon Kim Hojoong Choi Jiwoong Yang Yoonsung Jung Sungkyun Choi Donghyeon Lee Ho Won Jang Sanghan Lee School of materials science and Engineering Gwangju Institute of Science and TechnologyGwangju 61005Republic of Korea department of materials science and Engineering Seoul National UniversitySeoul 08826Republic of Korea

BiVO_(4)(BVO)is a promising material as the photoanode for use in photoelectrochemical ***,the high charge recombination and slow charge transfer of the BVO have been obstacles to achieving satisfactory photoelectrochemical *** address this,various modifications have been attempted,including the use of ferroelectric *** materials can form a permanent polarization within the layer,enhancing the separation and transport of photo-excited electron-hole *** this study,we propose a novel approach by depositing an epitaxial BiFeO_(3)(BFO)thin film underneath the BVO thin film(BVO/BFO)to harness the ferroelectric property of *** self-polarization of the inserted BFO thin film simultaneously functions as a buffer layer to enhance charge transport and a hole-blocking layer to reduce charge *** a result,the BVO/BFO photoanodes showed more than 3.5 times higher photocurrent density(0.65 mA cm^(-2))at 1.23 V_(RHE)under the illumination compared to the bare BVO photoanodes(0.18 m A cm^(-2)),which is consistent with the increase of the applied bias photon-to-current conversion efficiencies(ABPE)and the result of electrochemical impedance spectroscopy(EIS)*** results can be attributed to the self-polarization exhibited by the inserted BFO thin film,which promoted the charge separation and transfer efficiency of the BVO photoanodes.

关键词： Photoelectrochemical Photoanode BiVO_(4) Ferroelectric materials BiFeO_(3)

Surface-functionalized hole-selective monolayer for high efficiency single-junction wide-bandgap and monolithic tandem perovskite solar cells

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Journal of Energy Chemistry 2024年第1期88卷 317-326,I0008页

作者： Devthade Vidyasagar Yeonghun Yun Jae Yu Cho Hyemin Lee Kyung Won Kim Yong Tae Kim Sung Woong Yang Jina Jung Won Chang Choi Seonu Kim Rajendra Kumar Gunasekaran Seok Beom Kang Kwang Heo Dong Hoe Kim Jaeyeong Heo Sangwook Lee School of materials science and Engineering Kyungpook National UniversityDaegu 41566Republic of Korea department of materials science and Engineering and Optoelectronics Convergence Research CenterChonnam National UniversityGwangju 61186Republic of Korea department of materials science and Engineering Korea UniversitySeoul 02841Republic of Korea department of Nanotechnology and Advanced materials Engineering Sejong UniversitySeoul 05006Republic of Korea

Carbazole moiety-based 2PACz([2-(9H-carbazol-9-yl)ethyl]phosphonic acid)self-assembled monolayers(SAMs)are excellent hole-selective contact(HSC)materials with abilities to excel the charge-transferdynamics of perovskite solar cells(PSCs).Herein,we report a facile but powerful method to functionalize the surface of 2PACz-SAM,by which reproducible,highly stable,high-efficiency wide-bandgap PSCs can be *** 2PACz surface treatment with various donor number solvents improves assembly of 2PACz-SAM and leave residual surface-bound solvent molecules on 2PACz-SAM,which increases perovskite grain size,retards halide segregation,and accelerates hole *** surface functionalization achieves a high power conversion efficiency(PCE)of 17.62%for a single-junction wide-bandgap(~1.77 e V)*** also demonstrate a monolithic all-perovskite tandem solar cell using surfaceengineered HSC,showing high PCE of 24.66%with large open-circuit voltage of 2.008 V and high fillfactor of 81.45%.Our results suggest this simple approach can further improve the tandem device,when coupled with a high-performance narrow-bandgap sub-cell.

关键词： Perovskite solar cells 2PACz Monolithic tandem solar cells Wide bandgap

Effect of characteristics and distribution of Mg_(17)Al_(12)precipitates on tensile and bending properties of high-Al-containing Mg alloys

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Journal of Magnesium and Alloys 2024年第2期12卷 779-793页

作者： Sumi Jo Gyo Myeong Lee Jong Un Lee Young Min Kim Sung Hyuk Park School of materials science and Engineering Kyungpook National UniversityDaegu 41566Republic of Korea department of Magnesium Korea Institute of Materials ScienceChangwon 51508Republic of Korea

This study investigates the effect of characteristics and distribution of Mg_(17)Al_(12)precipitates on the uniaxial tensile and three-point bending properties of extruded Mg alloys containing high Al *** extruded Mg–9Al–1Zn–0.3Mn(AZ91)alloy contains lamellar-structured Mg_(17)Al_(12)discontinuous precipitates along the grain boundaries,which are formed via static precipitation during natural air *** extruded Mg–11Al–1Zn–0.3Mn(AZ111)alloy contains spherical Mg_(17)Al_(12)precipitates at the grain boundaries and inside the grains,which are formed via dynamic precipitation during *** to inhomogeneous distribution of precipitates,the AZ111 alloy consists of two different precipitate regions:precipitate-rich region with numerous precipitates and finer grains and precipitate-scarce region with a few precipitates and coarser *** AZ111 alloy exhibits a higher tensile strength than the AZ91 alloy because its smaller grain size and more abundant precipitates result in stronger grain-boundary hardening and precipitation hardening effects,***,the tensile elongation of the AZ111 alloy is lower than that of the AZ91 alloy because the weak cohesion between the dynamic precipitates and the matrix facilitates the crack initiation and *** bending,a macrocrack initiates on the outer surface of bending specimen in both *** AZ111 alloy exhibits higher bending yield strength and lower failure bending strain than the AZ91 *** bending specimens of the AZ91 alloy have similar bending formability,whereas those of the AZ111 alloy exhibit considerable differences in bending formability and crack propagation behavior,depending on the distribution and number density of precipitates in the *** bending specimens of the AZ111 alloy,it is found that the failure bending strain(ε_(f,bending))is inversely proportional to the area fraction of precipitates in the outer zone of bending specimen(A_(ppt)),with a relation

关键词： Mg–Al alloy Extrusion Bending Precipitation Microstructure

Anisotropic Mechanical Response of Nacre to Heat Treatment Under Indentation:Effect of Structural Orientation

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Journal of Bionic Engineering 2024年第3期21卷 1453-1464页

作者： Simin Liang Yingying Li Hongmei Ji Xiaowu Li department of materials Physics and Chemistry School of Materials Science and EngineeringKey Laboratory for Anisotropy and Texture of MaterialsMinistry of EducationNortheastern UniversityShenyang110819China

It is generally considered that heat treatments have a negative impact on the mechanical properties of nacre due to thermal decomposition of the organic ***,the present work investigated the microindentation behavior on fresh and heat-treated nacres from two orthogonal directions,and the results demonstrate that both hardness value and damage tolerance can remain almost unchanged on the cross-section with the organic matrix degeneration,despite a significant deterioration on the platelet *** analyses suggest that the anisotropic response of indentation behavior to heat treatment in nacre is primarily caused by its structural ***,compared with a single layer of irregular interplatelet interfaces in cross-sectional specimens,the multiple layers of parallel interlamellar interfaces in in-plane specimens exhibit a much greater ability to impede indenter-triggered destruction,and heat treatments would reduce the in-plane hardness but nearly have no effect on the cross-sectional ***,the deeper embedding of platelets in cross-sectional specimens enhances their resistance to interface cracking caused by organic matrix degradation at high temperatures,leading to a reduced sensitivity to ***,the indentation behavior of nacre shows different tendencies in response to variations in the organic matrix state along normal and parallel directions.

关键词： Nacre Structural orientation Heat treatment Indentation behavior Organic matrix

Transition metals for stabilizing lithium metal anode:advances and perspectives

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Tungsten 2024年第1期6卷 212-229页

作者： Si-Cheng Miao Ye Jia Zhi-Wen Deng Yan Deng Ruo-Xuan Chen Xue-Mei Zhang Chang-Haoyue Xu Meng Yao Wen-Long Cai department of Advanced Energy materials College of Materials Science and EngineeringSichuan UniversityChengdu 610064China

As the capacity of lithium-ion batteries gradually reaches its limit,the high-capacity characteristics of lithium metal batteries(LMBs)make them one of the most promising electrochemical energy storage devices ***,uncontrolled lithium dendrite growth can cause poor cell performance and severe safety issues,seriously slowing down the commercialization of *** metals(TMs)are lithiophilic materials that effectively stabilize lithium metal anode(LMA)and inhibit dendrite ***,the growth of lithium dendrites and the performance of TMs in stabilizing lithium metals are comprehensively discussed in this ***,we elucidated the formation mechanisms of lithium dendrite,and we put forward several strategies to suppress lithium dendrite formation based on the understanding of these ***,the application of TMs and their compounds to stabilize LMA and their corresponding mechanisms are comprehensively ***,further research perspectives of TMs in stabilizing LMA are emphasized in detail.

关键词： Transition metals Lithium metal batteries Lithium dendrite Solid electrolyte interphase Formation mechanism