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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

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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

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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

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A lithium–tin fluoride anode enabled by ionic/electronic conductive paths for garnet-based solid-state lithium metal batteries

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Rare Metals 2024年第2期43卷 575-587页

作者： Lei Zhang Qian-Kun Meng Xiang-Ping Feng Ming Shen Yu-Qing Zhang Quan-Chao Zhuang Run-Guo Zheng Zhi-Yuan Wang Yan-Hua Cui Hong-Yu Sun Yan-Guo Liu School of materials Science and engineering Northeastern UniversityShenyang110819China School of Resources and materials Northeastern University at QinhuangdaoQinhuangdao066004China School of materials and physics China University of Mining&TechnologyXuzhou221116China Institute of Electronic engineering China Academy of Engineering PhysicsMianyang621900China

The high energy density and stability of solid-state lithium metal batteries(SSLMBs)have garnered great ***-type oxides,especially Li_(6.4)La_(3)Zr_(1.4)Ta_(0.6)O_(12)(LLZTO),with high ionic conductivity,wide electrochemical window,and stability to Li metal anode,are promising solid-state electrolyte(SSEs)materials for ***,Li/LLZTO interface issues including high interface resistance,inhomogeneous Li deposition,and Li dendrite growth have hindered the practical application of ***,a multi-functional Li–SnF_(2) composite anode with Li,LiF,and Li-Sn alloy was specifically designed and *** composite anode improves the wettability to LLZTO,constructing an intimate contact interface between it and ***,ionic/electronic conductive paths in situ formed at the interface can effectively uniform Li deposition and suppress Li *** solid-state symmetric cell exhibits low interface resistance(11Ω·cm^(2)) and high critical current density(1.3 mA·cm^(−2))at 25℃.The full SSLMB based on LiFePO_(4) or LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2) cathode also shows stable cycling performance and high rate *** work provides a new composite anode strategy for achieving high-energy density and high-safety SSLMBs.

关键词： Solid-state lithium metal batteries(SSLMBs) Lithium-tin fluoride anode Ionic/electronic conductive Interface resistance Lithium dendrite

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Programming molecular switches in water and ethanol via thermo-sensitive polymers for phase control in energetic crystals

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Defence Technology（防务技术） 2024年第8期38卷 75-88页

作者： Xinru Yang Yushi Wen Congmei Lin Feiyan Gong Zhijian Yang Fude Nie Institute of Chemical materials China Academy of Engineering PhysicsMianyang 621900China

The practical application of energetic materials, particularly 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20), is frequently impeded by phase transition challenges. In this study, we propose a novel strategy to enhance the stability of CL-20 by employing a thermo-sensitive polymer,poly(N-isopropylacrylamide)(PNIPAM), to modulate its phase transitions. Our approach involves the use of an in-situ polymerized polydopamine(PDA) shell as a platform for surface grafting through atom transfer radical polymerization, yielding a core-shell structured CL-20@PDA-PNIPAM. Through comprehensive characterization, the successful grafting of PNIPAM is confirmed, significantly enhanced the phase stability of CL-20. Notably, our core-shell structure exhibits a 13℃ increase in phase transition temperature compared to raw CL-20, thereby delaying the ε→a phase transition by over 80 min under combined thermal and solvent conditions. The enhanced stability is attributed to the hydrophobic nature of PNIPAM above its low critical solution temperature in water, which effectively shields the CL-20 crystal. These findings provide new insights into enhancing the stability and safety of energetic materials in complex environments, highlighting the potential of our molecular switch mechanism.

关键词： 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20) Phase stability Polydopamine(PDA) Poly-N-Isopropylacrylamide(PNIPAM) Thermal and solvent effects

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Effect of different metal element substitution on microstructural and comprehensive hydrogen storage performance of Ti0.9Zr0.1Mn0.95Cr0.7V0.2M0.15（M=Fe,Co,Ni,Cu,Mo） alloy

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Progress in Natural Science:materials International 2024年第2期34卷 304-313页

作者： Baojia Ni Jianhui Zhu Guo Yang Linhua Xu Haiyan Leng Wei Liu Taijun Pan Xingbo Han Lijun Lv School of materials Science and engineering Changzhou University Shanghai Institute of Applied physics Chinese Academy of Sciences School of materials Science and engineering Shanghai University

Hydrogen is now being used as a renewable clean energy *** of the main issues with the application of hydrogen energy is a shortage of security and efficient hydrogen storage ***-based alloys are considered promising hydrogen storage materials,but their comprehensive hydrogen storage properties and cyclic stable performance limit their further practical *** hydrogen storage properties of alloys can be enhanced by substituting transition metal ***,the comprehensive hydrogen storage performance of the Ti0.9Zr0.1Mn0.95Cr0.7V0.2M0.15（M=Fe,Co,Ni,Cu,Mo） alloys was systematically investigated according to the Mn element on the B side is partially replaced by variety of transition metal *** M=Ni alloy,which showed the highest hydrogen storage capacity among the group of alloys,was used to explore cycle *** plateau pressures of the series alloys decreased in order,Fe>Co>Ni>Cu>*** of hydrogen absorption kinetics,all of the alloys can reach full hydrogen absorption saturation within 400 s at 303 *** Ti0.9Zr0.1Mn0.95Cr0.7V0.2Mo0.15alloy possessed the fastest hydrogen absorption kinetic rate(t0.9=65 s) and the smallest hysteresis *** suggests that the substitution of Mo elements is effective in improving the hysteresis of the Laves phase *** the series of alloys,the M=Ni alloy exhibited the best overall hydrogen storage performance,which hydrogen storage capacity can reach 1.81 wt% and 97% of its capacity is kept after 100 cycles.

关键词： Cyclic stable performance Element substitution Hydrogen storage properties Laves phase TiMn-Based hydrogen storage alloy

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Surface engineering on MnO2 nanorods by La single atoms to accelerate oxygen reduction kinetics

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Rare Metals 2024年第9期43卷 4302-4311页

作者： Zhang-Long He Liu-Qi Wang Min Jiang Jia-Nan Xie Shan Liu Jin-Can Ren Rui Sun Wen-Bin Lv Wei-Bin Guo Yu-Ling Liu Bing Li Qi Liu Hao He School of materials Science and engineering Changsha University of Science and Technology School of materials Science and engineering NanjingUniversity of Science and Technology School of materials Science and engineering Shanghai JiaoTong University Department of physics City University of Hong Kong

Surface engineering,which modulates the electronic structure and adsorption/desorption properties of electrocatalysts,is one of the key strategies for improving the catalytic ***,we demonstrate a facile solid-phase reaction for surface engineering of MnO2to boost the oxygen reduction *** reaction with surface hydroxy groups,La single atoms with loading amount up to 2.7 wt%are anchored onto *** surface engineering,the oxygen reduction reaction （ORR） kinetics is significantly improved with the half-wave potential from 0.70 to 0.84 V,the number of transferred electrons from 2.5 to 3.9 and the limiting current density from 4.8 to 6.0 mA·*** addition,the catalyst delivers superior discharge performance in both alkaline and neutral metal–air *** functional theory （DFT） calculations reveal that atomic La modulates the surface electronic configuration of MnO2,reduces its d-band center and thus lowers the OOH*and O*reaction energy *** work provides a new route for rational design of highly active electrocatalyst and holds great potential for application in various catalytic reactions.

关键词： Electron injection Metal–air batteries Oxygen reduction reaction Single atoms Surface engineering

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Construct a 3D microsphere of HMX/B/Al/PTFE to obtain the high energy and combustion reactivity

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Defence Technology（防务技术） 2024年第2期32卷 45-54页

作者： Jian Wang Jie Chen Yaofeng Mao Yongjun Deng Wei Cao Fude Nie Jun Wang Institute of Chemical materials China Academy of Engineering PhysicsMianyang 621999PR China Shock and Vibration of engineering materials and Structures Key Lab of Sichuan Province Mianyang 621010PR China

Metal(aluminum and boron)based energetic materials have been wildly applied in various fields including aerospace,explosives and micro-devices due to their high energy ***,the low combustion efficiency and reactivity of metal fuels,especially boron(B),severely limit their practical ***,multi-component 3D microspheres of HMX/B/Al/PTFE(HBA)have been designed and successfully prepared by emulsion and solvent evaporation method to achieve superior energy and combustion *** reactivity and energy output of HBA are systematically measured by ignitionburning test,constant-volume explosion vessel system and bomb *** to the increased interfacial contact and reaction area,HBA shows higher flame propagation rate,faster pressurization rate and larger combustion heat of 29.95 cm/s,1077 kPa/s,and 6164.43 J/g,which is 1.5 times,3.5 times,and 1.03 times of the physical mixed counterpart(HBA-P).Meanwhile,HBA also shows enhanced energy output and reactivity than 3D microspheres of HMX/B/PTFE(HB)resulting from the high reactivity of *** reaction mechanism of 3D microspheres is comprehensively investigated through combustion emission spectral and thermal analysis(TG-DSC-MS).The superior reactivity and energy of HBA originate from the surface etching of fluorine to the inert shell(Al_(2)O_(3) and B_(2)O_(3))and the initiation effect of Al to *** work offers a promising approach to design and prepare high-performance energetic materials for the practical applications.

关键词： HMX/B/Al/PTFE 3D microspheres Surface etching Reaction mechanism

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Deep insight of unique phase transition behaviors and mechanism in Zr_(2)Co-H isotope system with ultra-low equilibrium pressure

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Rare Metals 2024年第1期43卷 212-224页

作者： Yang Liu Pan-Pan Zhou Xue-Zhang Xiao Jia-Cheng Qi Jia-Peng Bi Tiao Ying Xing-Wen Feng Yan Shi Wen-Hua Luo Li-Xin Chen State Key Laboratory of Silicon materials School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China Institute of materials China Academy of Engineering PhysicsMianyang 621907China Key Laboratory of Advanced materials and Applications for Batteries of Zhejiang Province Hangzhou 310013China

Efficient capture,safe storage and release of tritium from the international thermonuclear experimental reactor(ITER) reaction exhaust gas is a perplexing problem,and the development of an efficient tritium-getter material with ultra-low hydrogenation equilibrium pressure is considered as a reliable *** this work,Zr_(2)Co alloy was selected as a tritium-getter material and prepared through induction levitation *** performance test results show that Zr_(2)Co exhibits an ultra-low hydrogenation equilibrium pressure of 3.22 × 10^(-6) Pa at 25℃ and excellent hydriding kinetics under a low hydrogen pressure of 0.005 ***,unique phase transition behaviors were presented in Zr_(2)Co-H ***,Zr_(2)CoH_(5) formed by Zr_(2)Co hydrogenated at room temperature is initially decomposed into ZrH_(2) and ZrCoH_(3) at200 ℃.With the temperature increasing to 350 ℃,ZrCoH_(3)is dehydrogenated to ZrCo,and then ZrCo further reacts with ZrH_(2) at 650 ℃ to reform Zr_(2)Co and *** the staged phase transition pathways during dehydrogenation,the decomposition of Zr_(2)CoH_(5) occurs preferentially,which is well accordance with both the smallest reaction energy barrier and the maximum reaction spontaneity that are determined respectively from kinetics activation energy and thermodynamics Gibbs free ***,first principles calculation results indicate that the stronger binding of hydrogen in interstitial environments of ZrCoH_(3)and ZrH_(2) triggers the hydrogen-stabilized phase transformation of Zr_(2)CoH_(5).The unique phase transition mechanisms in Zr_(2)Co-H system can shed light on the further exploration and regulation of analogous staged phase transition of hydrogen storage materials.

关键词： Zr_(2)Co alloy Tritium-getter materials Ultralow equilibrium hydrogen pressure Phase transition mechanism

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Theoretical investigation of electron-impact ionization of W8+ion

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Chinese physics B 2024年第3期33卷 341-349页

作者：张世平张芳军张登红丁晓彬蒋军颉录有马玉龙李麦娟 Marek Sikorski 董晨钟 Key Laboratory of Atomic and Molecular physics & Functional materials of Gansu Province College of Physics and Electronic EngineeringNorthwest Normal UniversityLanzhou 730070China

The electron-impact single ionization cross section for W8+ion has been calculated using flexible atomic code,employing the level-to-level distorted-wave *** calculations takes into account contributions form both direct ionization(DI)and excitation autoionization(EA).However,the theoretical predictions,based solely on the ground state,tends to underestimate the experimental *** discrepancy can be mitigated by incorporation contributions from excited *** extended the theoretical analysis,including the contributions from the long-lived metastable states with lifetimes exceeding 1.5×10-5 *** employed two statistical models to predict the fraction of ground state ions in the parent ion *** a 79%fraction of parent ions in ground configuration,the experiment measurements align with the *** we derived the theoretical cross-section for the ground state as correlated plasma rate coefficients,and compared it with existing *** the uncertainty in our calculations,our results are still acceptable.

关键词： tungsten ions electron-impact ionization cross section

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