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Correlation of work function and stacking fault energy through Kelvin probe force microscopy and nanohardness in diluteα-magnesium

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journal of Magnesium and Alloys 2024年第1期12卷 237-250页

作者： Yigit Türe Ali Arslan Kaya hüseyin Aydin jiang peng Servet Turan Eskisehir Technical University Porsuk Vocational SchoolElectronics and Automation DepartmentProgram of MechatronicsEskisehirTurkey Mugla Sitki Kocman University Engineering FacultyMetallurgy and Materials Engineering DepartmentMuglaTurkey hüseying Aydın TUBITAK MRCTurkey jiang peng Chongqing UniversityChina Eskisehir Technical University Engineering FacultyMaterials Science and Engineering DepartmentEskisehirTurkey

Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba *** investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,*** electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the *** was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>***,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'***-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three *** withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of *** asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental *** investigation has shown that such a qualitative correlation is *** all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density *** study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPF

关键词： Mg alloys Dilute alloys Work function Stacking fault energy Kelvin probe force microscopy Short range order Miedema Nanoindentation Eutectics

Universal insertion of molecules in ionic compounds under pressure

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National Science Review 2024年第1期11卷 120-128页

作者： Feng peng Yanming Ma Chris j.Pickard hanyu Liu Maosheng Miao College of Physics and Electronic Information Luoyang Normal University Department of Chemistry and Biochemistry California State University Northridge State Key Laboratory of Superhard Materials & Key Laboratory of Material Simulation Methods and Software of Ministry of Education College of Physics Jilin University International Center of Future Science Jilin University Department of Materials Science & Metallurgy University of Cambridge Advanced Institute for Materials Research Tohoku University Department of Earth Science University of California Santa Barbara

Using first-principles calculations and crystal structure search methods, we found that many covalently bonded molecules such as h2, N2, CO2, Nh3, h2O and Ch4may react with NaC l, a prototype ionic solid,and form stable compounds under pressure while retaining their molecular structure. These molecules,despite whether they are homonuclear or heteronuclear, polar or non-polar, small or large, do not show strong chemical interactions with surrounding Na and Cl ions. In contrast, the most stable molecule among all examples, N2, is found to transform into cyclo-N5-anions while reacting with NaC l under high pressures. It provides a new route to synthesize pentazolates, which are promising green energy materials with high energy density. Our work demonstrates a unique and universal hybridization propensity of covalently bonded molecules and solid compounds under pressure. This surprising miscibility suggests possible mixing regions between the molecular and rock layers in the interiors of large planets.

关键词： molecule-solid hybrid materials high-pressure crystal structure prediction density functional theory planet interior

A Weighted Flow related to a Trudinger–Moser Functional on Closed Riemann Surface

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Acta Mathematica Sinica,English Series 2024年第9期40卷 2244-2262页

作者： peng Xiu YU School of Mathematics Renmin University of ChinaBeijing 100872P.R.China

In this paper,with(Σ,g)being a closed Riemann surface,we analyze the possible concentration behavior of a heat flow related to the Trudinger–Moser *** obtain a long time existence for the *** along some sequence of times t_(k)→+∞,we can deduce the convergence of the flow in h2(Σ).Furthermore,the limit function is a critical point of the Trudinger–Moser functional under certain constraint.

关键词： Trudinger-Moser inequality global convergence heat flow

Bio-inspired inorganic-protein coating on Mg-based biomaterials for bioengineering applications

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Science China Materials 2024年第5期67卷 1678-1680页

作者： Xuwen peng haolan Xu Department of Chemistry Engineering Tsinghua UniversityBeijing100084China Department of Chemical and Materials Engineering University of AlbertaEdmontonAlbertaT6G 1H9Canada Future Industries Institute UniSA STEMUniversity of South AustraliaMawson Lakes CampusAdelaideSouth Australia5095Australia

Developing smart and advanced functional materials inspired by the unparalleled complexity and efficiency of biological tissues has received much attention across various *** alloys,particularly pure magnesium,have emerged as notable candidates in orthopedics and dentistry due to their exceptional biocompatibility,degradability,and ability to promote bone regeneration[1].however,the highly reactive chemical nature of magnesium and its rapid degradation upon exposure to water.

关键词： coating alloys magnesium

Leflunomide: A versatile additive for defect reduction, enhanced optoelectronic properties and environmental stability of perovskite films

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Nano Research 2024年第4期17卷 2628-2637页

作者： Dingyue Sun Ming peng Taijin Wang Longju Yi Shizuo Zhang Feng Liu Gary j.Cheng The Institute of Technological Sciences Wuhan UniversityWuhan 430072China School of Power and Mechanical Engineering Wuhan UniversityWuhan 430072China School of Industrial Engineering Purdue UniversityWest LafayetteIN 47906USA

The development of perovskite photoelectric devices with excellent performance is largely dependent on the defects in the perovskite *** address this issue,a specific drug,leflunomide(LF,C_(12)h_(9)F_(3)N_(2)O_(2)),was incorporated into the perovskite to reduce defects and improve its photoelectric *** is believed that the C=O bond on LF molecule can interact with the uncoordinated Pb2+of the perovskite,thereby reducing non-radiative *** novel approach of incorporating LF into perovskite films has the potential to revolutionize the development of high-performance perovskite photoelectric *** trifluoromethyl functional(–CF_(3))group on LF can form a protective layer on the surface of the perovskite film,shielding it from water ***,LF can be utilized to alter the nucleation position of perovskite,thus minimizing the number of defects and optimizing the film ***,the LF-doped perovskite film displays low trap density and high photoelectric *** LF-doped perovskite film showed a trap density of 8.28×10^(11),which is notably lower than the 2.04×10^(12) of the perovskite film without *** responsivity and detectivity of the LF-doped perovskite photodetector were 0.771 A/W and 2.81×10^(11) jones,respectively,which are much higher than the 0.23 A/W and 1.06×10^(10) jones of the LF-undoped perovskite ***,the LF-doped photodetector maintained an initial photocurrent of 86%after 30 days of storage in air,indicating drastically increased environmental *** strongly suggests that LF is an effective additive for perovskites utilized in optoelectronic devices with high performance.

关键词： leflunomide additive engineering defect passivation perovskite

The quasi-Gramian solution of a non-commutative extension of the higher-order nonlinear Schr?dinger equation

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Communications in Theoretical Physics 2024年第3期76卷 51-61页

作者： h W A Riaz j Lin Department of Physics Zhejiang Normal UniversityJinhua 321004China

The nonlinear Schr?dinger(NLS)equation,which incorporates higher-order dispersive terms,is widely employed in the theoretical analysis of various physical *** this study,we explore the non-commutative extension of the higher-order NLS *** treat real or complex-valued functions,such as g_(1)=g_(1)(x,t)and g_(2)=g_(2)(x,t)as non-commutative,and employ the Lax pair associated with the evolution equation,as in the commutation *** derive the quasi-Gramian solution of the system by employing a binary Darboux *** soliton solutions are presented explicitly within the framework of *** visually understand the dynamics and solutions in the given example,we also provide simulations illustrating the associated ***,the solution can be used to study the stability of plane waves and to understand the generation of periodic patterns within the context of modulational instability.

关键词： integrable systems Darboux transformation solitons

Fabrication of Molecularly Imprinted Electrospun Nanofibers with Mono-amidoxime Functional Ligand for Efficient Decontamination of Toxic Organophosphates

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Chinese journal of Polymer Science 2024年第4期42卷 446-456页

作者： Lan Wang peng jiang Ya-Lin Niu jun-peng Cao Tian-Ying Guo Key Laboratory of Functional Polymer Materials Ministry of EducationInstitute of Polymer ChemistryCollege of Chemistry and Frontier Science Center for the Creation of New Organic SubstancesNankai UniversityTianjin300071China

There is an urgent imperative to discover practical and efficacious artificial catalysts for the expeditious decontamination of toxic organophosphates. herein, we propose a novel molecularly imprinted approach utilizing electrospun fiber scaffolds. Specifically, an amidoxime-based functional polymer (PMAOX) has been synthesized, which contains amidoxime groups that can act as nucleophiles and ligands for the formation of catalytic active sites. This polymer was blended with polyacrylonitrile (PAN), a well-processable material, to prepare a nanofiber mat using electrospinning techniques. Then, the amidoxime side groups on fiber surface were further cross-linked after the molecular coordination of templates to complete the molecularly imprinting process. This approach can not only enhance the content of functional molecularly imprinted polymers without affecting structural stability, but also combines surface MI technology to fully expose and leverage the advantages of active sites. The as prepared molecularly imprinted electrospun nanofibers MIF-Zn-PMAOX/PAN-6/4 catalyzes the degradation of paraoxon with a half-life of 32 min, and MIF-Ag-PMAOX/PAN catalyzes the degradation of parathion with a half-life of 18 min. The maximum catalytic rate evidence rate enhancements nearly 3700-fold of the self-hydrolysis. Thus, the mono-amidoxime based molecularly imprinted fibers demonstrate the versatility and superiority as self-detoxifying for organophosphates.

关键词： Organophosphateshydrolysis Electrospinning Molecular imprinting

Divergent contributions of spring and autumn photosynthetic phenology to seasonal carbon uptake of subtropical vegetation in China

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journal of Geographical Sciences 2024年第7期34卷 1280-1296页

作者： peng Ying LI peng ZhOU Xiaolu LUO Yunpeng ZhANG Cicheng WANG Longjun LI Tong peng Changhui School of Geographic Sciences Hunan Normal UniversityChangsha410081China Department for Biogeochemical Integration Max-Planck-Institute for BiogeochemistryJena07745Germany Department of Biology Sciences Institute of Environment SciencesUniversity of Quebec at MontrealC.P.8888Succ.Centre-VilleMontrealH3C 3P8Canada

Phenological changes play a central role in regulating seasonal variation in the ecological processes,exerting significant impacts on hydrologic and nutrient cycles,and ultimately influencing ecosystem functioning such as carbon ***,the potential impact mechanisms of phenological events on seasonal carbon dynamics in subtropical regions are *** knowledge gaps hinder from accurately linking photosynthetic phenology and carbon sequestration *** chlorophyll fluorescence remote sensing and productivity data from 2000 to 2019,we found that an advancement in spring phenology increased spring gross(GPP)and net primary productivity(NPP)in subtropical vegetation of China by 2.1 gC m^(-2)yr^(-1)and 1.4 gC m^(-2)yr^(-1),respectively.A delay in autumn phenology increased the autumnal GPP and NPP by 0.4 gC m^(-2)yr^(-1)and 0.2 gC m^(-2)yr^(-1),***,the contribution of the spring phenology to spring carbon uptake increased significantly during the study period,while this positive contribution showed a nonsignificant trend in *** comparison,the later autumn phenology could significantly contribute to the increase in autumnal carbon uptake;however,this contributing effect was *** analysis indicated that these phenomena have been caused by the increased leaf area and enhanced photosynthesis due to earlier spring and later autumn phenology,*** results demonstrate the diverse impacts of vegetation phenology on the seasonal carbon sequestration ability and it is imperative to consider such asymmetric effects when modeling ecosystem processes parameterized under future climate change.

关键词： subtropics vegetation phenology remote sensing carbon cycle climate change

Resource Allocation to Minimize the Makespan with Multi-Resource Operations

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journal of Systems Science & Complexity 2024年第5期37卷 2054-2070页

作者： WENG Wuyan ChU Chengbin WU peng School of Economics and Management Fuzhou University Univ Gustave Eiffel ESIEE Paris&COSYS-GRETTIA

This paper investigates a new resource-allocation problem involving multi-resource operations, where completing an operation requires simultaneous use of multiple(renewable) resources,probably of different types. The goal of the study is to provide a solution method that minimizes the makespan. The authors formulate the problem into a novel mixed-integer linear program(MILP)model. To efficiently solve practical-sized instances, an exact Benders decomposition algorithm is developed. This algorithm divides the original problem into a master problem of allocating resources and a subproblem of calculating the makespan, and both are linked via Benders cuts. The convergence is sped up by improving the mathematical model and embedding the variable neighborhood search algorithm. Compared with CPLEX, a commonly used MILP solver, the computational results demonstrate that the proposed algorithm provides tighter upper and lower bounds in most instances. In particular,compared with CPLEX, the proposed method can on average improve the upper and lower bounds by 4.76% and 4.39%, respectively, in solving practical-sized instances.

关键词： Benders decomposition multi-resources operations resource allocation