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International Journal of Minerals,Metallurgy and materials 2024年第4期31卷 773-785页

作者： Mengwei Wu wei Yong Cunqin Fu Chunmei ma Ruiping Liu Department of materials Science and Engineering China University of Mining&Technology(Beijing)Beijing 100083China Institute for Advanced materials and Technology University of Science and Technology BeijingBeijing 100083China

The martensitic transformation temperature is the basis for the application of shape memory alloys(Smas),and the ability to quickly and accurately predict the transformation temperature of Smas has very important practical *** this work,machine learning(ML)methods were utilized to accelerate the search for shape memory alloys with targeted properties(phase transition temperature).A group of component data was selected to design shape memory alloys using reverse design method from numerous unexplored *** modeling and feature modeling were used to predict the phase transition temperature of the shape memory *** experimental results of the shape memory alloys were obtained to verify the effectiveness of the support vector regression(SVR)*** results show that the machine learning model can obtain target materials more efficiently and pertinently,and realize the accurate and rapid design of shape memory alloys with specific target phase transition *** this basis,the relationship between phase transition temperature and material descriptors is analyzed,and it is proved that the key factors affecting the phase transition temperature of shape memory alloys are based on the strength of the bond energy between *** work provides new ideas for the controllable design and performance optimization of Cu-based shape memory alloys.

关键词： machine learning support vector regression shape memory alloys martensitic transformation temperature

Graphene enables equiatomic FeNiCrCoCu high-entropy alloy with improved TWIP and TRIP effects under shock compression

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Journal of materials Science & Technology 2024年第3期170卷 186-199页

作者： Hongcai Xie Zhichao ma wei Zhang Hongwei Zhao Luquan Ren School of Mechanical and Aerospace Engineering Jilin UniversityChangchun 130025China Key Laboratory of CNC Equipment Reliability Ministry of Education Jilin UniversityChangchun 130025China Key Laboratory of Bionic Engineering Ministry of Education Jilin UniversityChangchun 130025China weihai Institute for Bionics-Jilin University Weihai 264400China Institute of Structured and Architected materials Liaoning Academy of MaterialsShenyang 110167China

Graphene(Gr)reinforced high-entropy alloy(HEA)matrix composites are expected as potential candidates for next-generation structural applications in light of outstanding mechanical properties.A deep comprehension of the underlying deformation mechanisms under extreme shock loading is of paramount importance,however,remains lacking due to experimentally technical limitations in *** the present study,by means of nonequilibrium molecular dynamics simulations,dynamic deformation behaviors and corresponding mechanisms in equiatomic FeNiCrCoCu HEA/Gr composite systems were investigated in terms of various shock *** resistance to dislocation propagation imparted by Gr was corroborated to encourage the elevated local stress level by increasing the likelihood of dislocation interplays,which facilitated the onset of twins and hexagonal close-packed(HCP)martensite ***,the advent of Gr was demonstrated to endow the HEA with an additional twinning pathway that induced a structural conversion from HCP to parent face-centered cubic(FCC)inside HCP martensite laths,different from the classical one that necessitated undergoing the intermediate procedure of extrinsic stacking fault(ESF)*** than that,by virtue of an increase in flow stress,the transformation-induced plasticity(TRIP)effect was validated to be additionally evoked as the predominant strain accommodation mechanism at higher strains on the one hand,but which only assisted plasticity in pure systems,and on the other hand,can also act as an auxiliary regulation mode together with the twinning-induced plasticity(TWIP)effect under intermediate strains,but with enhanced contributions relative to pure *** may expect that TRIP and TWIP effects promoted by introducing Gr would considerably inspire a synergistic effect between strength and ductility,contributing to the exceptional shock-resistant performance of FeNiCrCoCu HEAs under extreme regimes.

关键词： Molecular dynamics High-entropy alloy Graphene TRIP TWIP Shock

UiO-66-NH_(2)nanoparticles supported on layered double hydroxides as an excellent adsorbent for levofloxacin capture

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Particuology 2024年第9期92卷 155-165页

作者： Yan Li Heng Lin Qiaolan Yu Na ma wei Dai College of Geography and Environmental Sciences Zhejiang Normal UniversityJinhua321004China Key Laboratory of the Ministry of Education for Advanced Catalysis materials College of Chemistry and Materials ScienceZhejiang Normal UniversityJinhua321004China

The adsorption performances of individual adsorbent such as UiO-66-NH_(2)and MgAl-layered double hydroxides(MgAl-LDH)toward levofloxacin(LVX)is less satisfactory due to the disappointing uptake capacity and adsorption ***,a 3D flower-like composite adsorbent prepared via iterative hydrothermal synthesis method anchoring UiO-66-NH_(2)nanoparticles onto the MgAl-LDH *** to the synergistic effects of UiO-66-NH_(2),and MgAl-LDH,the MgAl-LDH@UiO-66-NH_(2)exhibits an outstanding adsorption performance toward ***,the maximum LVX uptake capacity over MgAl-LDH@UiO-66-NH_(2)reached 268 mg/g,which was higher than that of the individual adsorption materials UiO-66-NH_(2)(41 mg/g),MgAl-LDH(140 mg/g),and some adsorbents reported in previous *** rapid adsorption process can reach equilibrium within 20 min,which conformed well to the pseudo-second-order kinetics and the Langmuir isotherm *** thermodynamic result also indicated that the adsorption was spontaneous and exothermic,simultaneous coexisting physical and chemical adsorption ***,the MgAl-LDH@UiO-66-NH_(2)still maintained excellent adsorption capacity with a slightly decrease after fifth cycle,exhibiting a remarkable reuse and stable *** work provides a highly novel strategy to prepare recyclable composite adsorbent for the LVX capture from aqueous solution.

关键词： Layered double hydroxides UiO-66-NH_(2) LVX Adsorption

Numerical Analysis on Charging Performance of the macro-Encapsulating Combined Sensible-Latent Heat Storage System with Structural Parameters

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Journal of Thermal Science 2024年第3期33卷 1026-1036页

作者： WANG wei PAN Zhenfei WANG Jingfu WU Yuting ma Chongfang Key Laboratory of Enhanced Heat Transfer and Energy Conservation Ministry of EducationCollege of Energy and Power EngineeringBeijing University of TechnologyBeijing100124China Key Laboratory of Heat Transfer and Energy Conversion Beijing MunicipalityCollege of Energy and Power EngineeringBeijing University of TechnologyBeijing100124China

For combined sensible-latent heat storage system(CSLHS)(termed as the hybrid configuration),macro encapsulation can effectively solve the leakage problem of ***,due to the poor thermal conductivity of PCMs,the charging performance of the hybrid configuration slightly increases compared to the solid structure(with only sensible materials).Meanwhile,the natural convection in the PCMs zone could improve the charging ***,how to improve natural convection intensity is a key issue for the CSLHS by macro *** is found that adding fins can significantly enhance natural convection and accelerate the melting of *** this paper,we proposed the hybrid configuration with fins built-in by macro encapsulation,and analyzed its charging performance with different fin structural parameters in the PCM zone by CFD *** the case,the sensible heat storage material is high-temperature concrete and the PCM is a low-melting-point mixed molten *** analyzed the effects of fin number,fin length and fin thickness on the charging performance of the hybrid configuration *** the result,the charging performance increases with the fin number,but the increase rate gradually *** the fin number is 6,the charging performance increases by 20.18%compared to the situation without *** charging performance increases gradually with the fin *** with the hybrid configuration without fin,for each 10 mm increase in fin length,its charging performances increase by 4.09%,5.26%,7.02%,8.77%,11.70%,and 15.79%,*** from number and length of fins,the effect of thickness on the charging performance is very *** the fin thickness increased from 1 mm to 4 mm,the charging performance only increased by 2.3%.It indicates that the main reason for the improving the charging performance is to increase the natural convection intensity by dividing the PCM zone through *** results show that the charging performance

关键词： macro-encapsulation hybrid configuration natural convection structural parameter charging performance

Asymmetric Electrolytes Design for Aqueous Multivalent Metal Ion Batteries

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Nano-Micro Letters 2024年第3期16卷 227-253页

作者： Xiaochen Yang Xinyu Wang Yue Xiang Longtao ma wei Huang Frontiers Science Center for Flexible Electronics Institute of Flexible ElectronicsNorthwestern Polytechnical UniversityXi’an 710072People’s Republic of China School of materials Science and Engineering Guangdong Provincial Key Laboratory of Advanced Energy Storage MaterialsSouth China University of TechnologyGuangzhou 510641People’s Republic of China

With the rapid development of portable electronics and electric road vehicles,high-energy-density batteries have been becoming front-burner ***,homogeneous electrolyte cannot simultaneously meet diametrically opposed demands of high-potential cathode and low-potential anode,which are essential for high-voltage ***,homogeneous electrolyte is difficult to achieve bi-or multi-functions to meet different requirements of *** comparison,the asymmetric electrolyte with bi-or multi-layer disparate components can satisfy distinct requirements by playing different roles of each electrolyte layer and meanwhile compensates weakness of individual ***,the asymmetric electrolyte can not only suppress by-product sedimentation and continuous electrolyte decomposition at the anode while preserving active substances at the cathode for high-voltage batteries with long cyclic *** this review,we comprehensively divide asymmetric electrolytes into three categories:decoupled liquid-state electrolytes,bi-phase solid/liquid electrolytes and decoupled asymmetric solid-state *** design principles,reaction mechanism and mutual compatibility are also studied,***,we provide a comprehensive vision for the simplification of structure to reduce costs and increase device energy density,and the optimization of solvation structure at anolyte/catholyte interface to realize fast ion transport kinetics.

关键词： Asymmetric electrolyte Aqueous multivalent metal ion batteries Electrochemical stability windows Electrolyte interface

Simultaneous Bulk-and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model

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Chinese Journal of Polymer Science 2024年第3期42卷 364-372,I0008页

作者： jia-Shu ma Zhi-Ning Huang jia-Hao Li Bang-Ping jiang Yan-Da Liao Shi-Chen Ji Xing-Can Shen State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources(Ministry of Education of China)School of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilin 541004China School of Computer Science and Engineering&School of Software Guangxi Normal UniversityGuilin 541004China

To better characterize the properties of surface-initiated polymers, simultaneous bulk-and surface-initiated polymerizations are usually carried out by assuming that the properties of the surface-initiated polymers resemble those of the bulk-initiated polymers. Through a Monte Carlo simulation using a heterogeneous stochastic reaction model, it was discovered that the bulk-initiated polymers exhibit a higher molecular weight and a lower dispersity than the corresponding surface-initiated polymers, which indicates that the equivalent assumption is invalid. Furthermore, the molecular weight distributions of the two types of polymers are also different, suggesting different polymerization mechanisms. The results can be simply explained by the heterogeneous distributions of reactants in the system. This study is helpful to better understand surface-initiated polymerization.

关键词： Surface-initiated polymerization Polymer brush Stochastic reaction model Heterogeneous polymerization Simultaneous polymerization

Designing ABC-6 family small pore zeolites by epitaxial growth approach

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Chinese Chemical Letters 2024年第3期35卷 508-512页

作者： Xiaohui Cui jia Lv Chao ma Yujiao Wang Zhenghao jia Daliang Zhang Peng Guo Zhongmin Liu Henan Institute of Advanced Technology Zhengzhou UniversityZhengzhou 450001China National Engineering Research Center of Lower-Carbon Catalysis Technology Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Multi-scale Porous materials Center Institute of Advanced Interdisciplinary Studies&School of Chemistry EngineeringChongqing UniversityChongqing 400044China University of Chinese Academy of Sciences Beijing 100049China Division of Energy Research Resources Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China

Aluminosilicate small pore zeolites belonging to ABC-6 family play crucially important roles in the high methanol conversion with the high selectivity of light olefins,gas separation and storage,and selective catalytic reduction of NO_(x).In this work,we report a general method,called the epitaxial growth approach,for designing ABC-6 family small pore *** is mainly realized through the epitaxial growth on the nonporous SOD-type zeolite in the presence of inorganic cations(Na^(+)and K^(+))combined with a variety of organic structure directing agents(OSDAs).In this case,a series of ABC-6 family small pore zeolites such as ERI-,SWY-,LEV-,AFX-,and PTT-type zeolites have been successfully synthesized within a few *** importantly,the advanced focused ion beam(FIB)and the low-dose high-resolution transmission electron microscopy(HRTEM)imaging technique have been utilized for unraveling the zeolite heterojunction at the atomic level during the epitaxial growth *** turns out(222)crystallographic planes of the SOD-type zeolite substrate provide unique pre-building units,which facilitate the growth of targeted ABC-6 family small pore zeolites along its ***,the morphologies of ERI-type zeolite can also be tuned through the epitaxial growth approach,achieving a longer lifetime in the methanol conversion.

关键词： Zeolite structure Zeolite synthesis Structural characterizations Low-dose imaging Focused ion beam

Non-Fully Conjugated Photovoltaic materials with Y-Series Acceptor Backbone for High-Performance Organic Solar Cells

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Chinese Journal of Chemistry 2024年第11期42卷 1307-1318页

作者： Hairui Bai Qunping Fan Ruijie ma Xia Guo wei ma maojie Zhang State Key Laboratory for Mechanical Behavior of materials Xi’an Jiaotong UniversityXi’anShaanxi710049 China National Engineering Research Center for Colloidal materials School of Chemistry&Chemical EngineeringShandong UniversityJinanShandong250100 China Department of Electronic and Information Engineering Research Institute for Smart Energy(RISE)The Hong Kong Polytechnic UniversityKowloon999077 Hong KongChina

In the last few years,organic solar cells(OSCs)have made significant progress in photovoltaic performance,mainly due to the innovative development of active layer materials,especially Y-series and related derivatives as acceptors which have become the key factor that boosts the power conversion ***,to achieve high-performance OSCs,an emerging molecular design strategy of applying flexible alkyl units as linkers to construct non-fully conjugated acceptors has been developed and addressed great *** review highlights the non-fully conjugated photovoltaic materials with Y-series backbone that enable high-performance *** OSCs have been achieved by some representative non-fully conjugated material *** related molecular design strategies are discussed in ***,a brief summary and future prospect are provided in advancing the non-fully conjugated photovoltaic materials with Y-series backbone towards the brighter future.

关键词： Organic solar cells All-polymer solar cells Non-fully conjugated photovoltaic materials Power conversion efficiency Polymer acceptors Organicel ectronics

Chalcogen-dependent catalytic properties of RuX2 (X = S/Se/Te) nanoparticles decorated carbon nanofibers for hydrogen evolution in acidic and alkaline media

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Nano Research 2024年第4期17卷 2528-2537页

作者： Chengkai He Yue wei jia Xu Yujie wei Tao Wang Rongfei Liu Lvlv Ji Zhun Liu Sheng Wang School of materials Science and Engineering Zhejiang Sci-Tech UniversityHangzhou 310018China Department of Physics Shaoxing UniversityShaoxing 312000China Zhejiang Kangjiesi New material Technology Co. LTDZhuji 311800China

Transition metal dichalcogenides(TMDs),with the general formula MX_(2)(M=Mo/W/Fe/Co/Ni,etc.;X=S/Se/Te),have attracted extensive research interests for hydrogen evolution reaction(HER).Compared with numerous studies on noble-metal-free TMDs,the chalcogen-dependent HER catalytic properties of noble-metal-based TMDs are lack of sufficient research ***,a facile electrospinning-assisted synthetic strategy is proposed to synthesize ruthenium dichalcogenides(RuX_(2),X=S/Se/Te)nanoparticles decorated carbon nanofibers(CNFs).Benefiting from the identical nanofibrous morphology and exposed crystal planes of RuX_(2)(111),the catalytic activities of RuX_(2)@CNFs samples were investigated and compared in a fair and direct *** electrochemical measurements coupled with density functional theory calculations were carried out to probe their intrinsic HER catalytic activities,resulting in the catalytic activity order of RuS_(2)@CNFs>RuSe_(2)@CNFs>RuTe_(2)@CNFs in acidic media and that of RuS_(2)@CNFs>RuTe_(2)@CNFs>RuSe_(2)@CNFs in alkaline *** superior catalytic performance of RuS_(2)@CNFs mainly stems from the relative lower HER energy barriers and thereby the higher intrinsic catalytic activity of RuS_(2)(111),leading to ultralow overpotentials of 44 and 9 mV at 10 ma·cm^(-2) in acidic and alkaline media,***_(2)(111)is endowed with the more optimized Gibbs free energy of hydrogen adsorption(ΔGH*)than RuTe_(2)(111),but RuTe_(2)(111)shows enhanced catalytic property for H_(2)O dissociation and OH-desorption than RuSe_(2)(111),therefore,resulting in the altered catalytic activity sequences for RuSe_(2) and RuTe_(2) in acidic and alkaline media.

关键词： hydrogen evolution reaction transition metal dichalcogenides carbon nanofibers electrocatalysis catalytic activity

Design of pH-responsive antimicrobial peptide melittin analog-camptothecin conjugates for tumor therapy

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Asian Journal of Pharmaceutical Sciences 2024年第1期19卷 135-146页

作者： Sujie Huang Yuxuan Gao Ling ma Bo jia Wenhao Zhao Yufan Yao Wenyuan Li Tongyi Lin Rui Wang Jingjing Song wei Zhang Institute of Pharmacology School of Basic Medical SciencesLanzhou UniversityLanzhou 730000China Key Laboratory of Preclinical Study for New Drugs of Gansu Province School of Basic Medical Sciences&Research Unit of Peptide ScienceChinese Academy of Medical SciencesLanzhou UniversityLanzhou 730000China State Key Laboratory of Veterinary Etiological Biology College of Veterinary MedicineLanzhou UniversityLanzhou 730000China Lanzhou University Second Hospital Lanzhou UniversityLanzhou 730000China

Melittin,a classical antimicrobial peptide,is a highly potent antitumor ***,its significant toxicity seriously hampers its application in tumor *** this study,we developed novel melittin analogs with pH-responsive,cell-penetrating and membranelytic activities by replacing arginine and lysine with *** conjugation with camptothecin(CPT),CPT-AAM-1 and CPT-AAM-2 were capable of killing tumor cells by releasing CPT at low concentrations and disrupting cell membranes at high concentrations under acidic ***,we found that the C-terminus of the melittin analogs was more suitable for drug conjugation than the ***-AAM-1 significantly suppressed melanoma growth in vivo with relatively low ***,the present study demonstrates that the development of antitumor drugs based on pH-responsive antimicrobial peptide-drug conjugates is a promising strategy.

关键词： Antimicrobial peptide Peptide-drug conjugate Cell-penetrating activity Membrane disruption Antitumor activity