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Universal design of three-dimensional porous graphene-iron based promotors for kinetically rationalized lithium-sulfur chemistry

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Journal of Energy Chemistry 2025年第1期100卷 192-200页

作者： Hua Gao Yunfeng Zhang Menglei Wang Ruoxuan Yang Shuai Feng Xuan Cao Yaping Zhang Zhongyuan Lu Yingze Song State Key Laboratory of Environment-Friendly Energy Materials School of Materials and Chemistry Southwest University of Science and Technology School of Material science and Engineering Henan University of Technology college of Chemistry and Chemical Engineering Taishan University

Lithium-sulfur （Li-S） batteries are widely deemed to be one of the most potential candidates for future secondary batteries because of their remarkable energy ***,notorious polysulfide shuttling and retarded sulfur reaction kinetics pose significant obstacles to the further application of Li-S *** rationally designed highly active electrocatalysts can facilitate polysulfide conversion,the universal and scalable synthesis strategies need to be ***,a universal synthetic strategy to construct a series of three-dimensional （3D） porous graphene-iron （3DGr-Fe） based electrocatalysts involving 3DGr-FeP,3DGr-Fe3C,and 3DGr-Fe3Se4is exploited for manipulating the Li-S redox *** has been observed that the implementation of a 3D porous Gr architecture leads to the well-designed conductive networks,while the uniformly dispersed iron nanoparticles introduce an abundance of active sites,fostering the lithium polysulfide conversion,thereby bolstering the overall electrochemical *** Li-S battery with the 3DGr-Fe based electrocatalyst exhibits remarkable capacity retention of 94.8%upon 100 times at 0.2 ***,the soft-packaged Li-S pouch cell based on such a 3DGr-Fe electrocatalyst delivers superior capacity of 1060.71 mA h g-1and guarantees for the continuous 30 min work of fan *** investigation gives comprehensive insights into the design,synthesis,and mechanism of 3DGr-Fe based electrocatalysts with high activity toward efficient and durable Li-S batteries.

关键词： Lithium-sulfur battery Universal synthesis 3D graphene-iron based promotor Electrocatalysis

Multi-layer multi-pass friction rolling additive manufacturing of Al alloy:Toward complex large-scale high-performance components

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 425-438页

作者： Haibin Liu Run Hou Chenghao Wu Ruishan Xie Shujun Chen college of Mechanical&Energy Engineering Beijing University of TechnologyBeijing 100124China Chongqing Research Institute of Beijing University of technology Chongqing 401121China

At present,the emerging solid-phase friction-based additive manufacturing technology,including friction rolling additive man-ufacturing(FRAM),can only manufacture simple single-pass *** this study,multi-layer multi-pass FRAM-deposited alumin-um alloy samples were successfully prepared using a non-shoulder tool *** material flow behavior and microstructure of the over-lapped zone between adjacent layers and passes during multi-layer multi-pass FRAM deposition were studied using the hybrid 6061 and 5052 aluminum *** results showed that a mechanical interlocking structure was formed between the adjacent layers and the adja-cent passes in the overlapped center *** friction and rolling of the tool head led to different degrees of lateral flow and plastic deformation of the materials in the overlapped zone,which made the recrystallization degree in the left and right edge zones of the over-lapped zone the highest,followed by the overlapped center zone and the non-overlapped *** tensile strength of the overlapped zone exceeded 90%of that of the single-pass deposition *** is proved that although there are uneven grooves on the surface of the over-lapping area during multi-layer and multi-pass deposition,they can be filled by the flow of materials during the deposition of the next lay-er,thus ensuring the dense microstructure and excellent mechanical properties of the overlapping *** multi-layer multi-pass FRAM deposition overcomes the limitation of deposition width and lays the foundation for the future deposition of large-scale high-performance components.

关键词： aluminum alloy additive manufacturing solid-state friction stir welding multi-layer multi-pass

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Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material

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Journal of Energy Chemistry 2025年第1期100卷 259-272页

作者： Da Wan Shuwei Tang Shulin Bai Xiaodong Li Peng Ai Wanrong Guo Tuo Zheng college of Materials science and Engineering Liaoning Technical University Faculty of Chemistry Northeast Normal University

Layered rare-earth metal oxides, harnessing the dual properties of oxides and two-dimensional layered materials, exhibit remarkable thermal stability and quantum confinement effects. Therefore, this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound. The coexistence of weak interlayer van der Waals interactions, robust intralayer ionic bonding, and partial covalent bonding leads to remarkable bonding heterogeneity, which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction. The weakened chemical bonds induced by the antibonding states, together with the rattling-like behavior of the Zn atom, culminate in the profound anharmonicity in the layered NdZnSbO compound. The weakening bond and heavy element contribute to the softness of phonon modes, which significantly diminishes the phonon group velocity. The redistribution-dominated four-phonon scattering process spans a large optical gap, which effectively reduces the lattice thermal conductivity. The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06) functional in combination with spin–orbit coupling(SOC) effect. The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy, thus amplifying the power factor. Consequently, an optimal figure-of-merit(ZT) of 3.40 at 900 K is achieved for the n-type NdZnSbO compound. The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.

关键词： Bond strength (chemical)

Study of thermal decoherence of harmonic oscillators

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原子与分子物理学报 2025年第5期42卷 108-114页

作者： LI Jian ZHOU Gao-Liang YAN Zheng-Xin LIU Wei WANG Zhao-Qi college of science Xi’an University of Science and TechnologyXi’an 710054China

The thermal decoherence of harmonic oscillators is investigated *** quantum system presented here is a one-dimensional oscillator with angular frequency,which is surrounded by a thermal bath of environmental *** are various environmental oscillators with different angular frequency(below an ultraviolet cutoff).At the beginning,the quantum system is a pure state and the environmental oscillators are in thermodynamic equilibrium with *** a period,the system-environment interactions inspire significant decoherence of the quantum *** decoherence is displayed by explicit calculations of the purity and von Neumann entropy of the quantum *** is worth noting that the decoherence could be significant even in the weak coupling and low temperature case due to the large amount of environmental degrees of *** the decoherence process is inspired between the quantum system and an ordinary thermal environment here,the thermal decoherence result is quite general.

关键词： Quantum decoherence Grand canonical ensemble Oscillators

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Solid Waste Management:A MADM Approach Using Fuzzy Parameterized Possibility Single-Valued Neutrosophic Hypersoft Expert Settings

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Computer Modeling in Engineering & sciences 2025年第1期142卷 531-553页

作者： Tmader Alballa Muhammad Ihsan Atiqe Ur Rahman Noorah Ayed Alsorayea Hamiden Abd El-Wahed Khalifa Department of Mathematics College of SciencesPrincess Nourah bint Abdulrahman UniversityRiyadh11671Saudi Arabia 2 Department of Mathematics University of Management and TechnologyLahore54000Pakistan Department of Mathematics College of ScienceQassim UniversityBuraydah51452Saudi Arabia

The dramatic rise in the number of people living in cities has made many environmental and social problems *** search for a productive method for disposing of solid waste is the most notable of these *** scholars have referred to it as a fuzzy multi-attribute or multi-criteria decision-making problem using various fuzzy set-like approaches because of the inclusion of criteria and anticipated *** goal of the current study is to use an innovative methodology to address the expected uncertainties in the problem of solid waste site *** characteristics(or sub-attributes)that decision-makers select and the degree of approximation they accept for various options can both be indicators of these *** tackle these problems,a novel mathematical structure known as the fuzzy parameterized possibility single valued neutrosophic hypersoft expert set(ρˆ-set),which is initially described,is integrated with a modified version of Sanchez’s *** this,an intelligent algorithm is *** steps of the suggested algorithm are explained with an example that explains *** compatibility of solid waste management sites and systems is discussed,and rankings are established along with detailed justifications for their *** study’s strengths lie in its application of fuzzy parameterization and possibility grading to effectively handle the uncertainties embodied in the parameters’nature and alternative approximations,*** uses specific mathematical formulations to compute the fuzzy parameterized degrees and possibility grades that are missing from the prior *** is simpler for the decisionmakers to look at each option separately because the decision is *** the computed results,it is discovered that they are consistent and dependable because of their preferred properties.

关键词： Hypersoft expert set Sanchez’s method decision making optimization solid waste management possibility grade fuzzy parameterization

Interfacial Zn2+-solvation regulator towards reversible and stable Zn anode

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Journal of Energy Chemistry 2025年第1期100卷 684-692页

作者： Miao Zhou Xiongbin Luo Hang Li Shan Guo Zhuang Tong Xiaotao Zhou Xu Li Zhaohui Hou Shuquan Liang Guozhao Fang college of Mechanical Engineering Key Laboratory of Hunan Province for Advanced Carbon-based Functional Materials Hunan Institute of Science and Technology School of Materials science and Engineering Key Laboratory of Electronic Packaging and Advanced Functional Materials of Hunan Province Central South University college of Materials and Metallurgy Guizhou University National Energy Metal Resources and New Materials Key Laboratory Central South University

Aqueous zinc-ion batteries （AZIBs） are fundamentally challenged by the instability of the electrode/electrolyte interface,predominantly due to irreversible zinc （Zn） deposition and hydrogen ***,the intricate mechanisms behind the electrochemical discrepancies induced by interfacial Zn2+-solvation and deposition behavior demand comprehensive *** molecules endowed with special functional groups （such as hydroxyl,carboxyl,etc.） have the potential to significantly optimize the solvation structure of Zn2+and regulate the interfacial electric double layer （EDL）.By increasing nucleation overpotential and decreasing interfacial free energy,these functional groups facilitate a lower critical nucleation radius,thereby forming an asymptotic nucleation model to promote uniform Zn ***,this study presents a pioneering approach by introducing trace amounts of n-butanol as solvation regulators to engineer the homogenized Zn （H-Zn） anode with a uniform and dense *** interfacial reaction and structure evolution are explored by in/ex-situ experimental techniques,indicating that the H-Zn anode exhibits dendrite-free growth,no by-products,and weak hydrogen evolution,in sharp contrast to the bare ***,the H-Zn anode achieves a remarkable Zn utilization rate of approximately 20% and simultaneously sustains a prolonged cycle life exceeding 500 ***,the H-Zn//NH4V4O10（NVO） full battery showcases exceptional cycle stability,retaining 95.04%capacity retention after 400 cycles at a large current density of 5 A *** study enlightens solvation-regulated additives to develop Zn anode with superior utilization efficiency and extended operational lifespan.

关键词： Aqueous zinc-ion batteries Interfacial reaction Asymptotic nucleation model Reversible and stable Zn anode

Biomass materials for zinc-based sustainable and green energy storage devices:Strategy and mechanism

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Nano Research 2025年第1期18卷 294-314页

作者： Xiaotong Yang Xiaoxin Nie Chenke Tang Yiyang Xiao Qiongguang Li Du Yuan Meng Yao college of Materials science and Engineering Changsha University of Science and TechnologyChangsha 410004China college of Materials science and Engineering Sichuan UniversityChengdu 610065China Anhui Province International Research Center on Advanced Building Materials School of Materials and Chemical EngineeringAnhui Jianzhu UniversityHefei 230601China

As next-generation rechargeable alternatives,zincbased energy storage devices(ZESs)are being intensely explored due to their merits of abundant resource,low cost,safety and environmental ***,ZESs face a succession of critical challenges on pursuing advancing performance,including the stability and kinetics of cathode,stability and transport of zinc electrolyte,reversibility and deep utilization of metallic Zn ***,possessing unique molecular structures with abundant functionals groups,motivates the interdisciplinary field emerging from biomass and aqueous rechargeable *** its high compatibility with ZES design,we here summarize the application of biomass materials in ZESs from the aspects of cathode,electrolyte,membrane/separator and Zn anode,with their corresponding operational mechanisms and attractive functionalities from polymeric ***,the outlooks and perspectives are provided,regarding current challenges and future *** anticipate our minireview paves way on exploring the roles of biomass in aqueous rechargeable batteries.

关键词： zinc biomass materials skeleton/host coating solid-electrolyte interphase(SEI)

A Synergistic Multi-Attribute Decision-Making Method for Educational Institutions Evaluation Using Similarity Measures of Possibility Pythagorean Fuzzy Hypersoft Sets

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Computer Modeling in Engineering & sciences 2025年第1期142卷 501-530页

作者： Khuram Ali Khan Saba Mubeen Ishfaq Atiqe Ur Rahman Salwa El-Morsy Department of Mathematics University of SargodhaSargodha40100Pakistan Department of Mathematics University of Management and TechnologyLahore54000Pakistan Department of Mathematics College of ScienceQassim UniversityBuraydah51452Saudi Arabia

Due to the numerous variables to take into account as well as the inherent ambiguity and uncertainty,evaluating educational institutions can be *** concept of a possibility Pythagorean fuzzy hypersoft set(pPyFHSS)is more flexible in this regard than other theoretical fuzzy set-like models,even though some attempts have been made in the literature to address such *** study investigates the elementary notions of pPyFHSS including its set-theoretic operations union,intersection,complement,OR-and *** results related to these operations are also modified for ***,the similarity measures between pPyFHSSs are formulated with the assistance of numerical examples and ***,an intelligent decision-assisted mechanism is developed with the proposal of a robust algorithm based on similarity measures for solving multi-attribute decision-making(MADM)problems.A case study that helps the decision-makers assess the best educational institution is discussed to validate the suggested *** algorithmic results are compared with the most pertinent model to evaluate the adaptability of pPyFHSS,as it generalizes the classical possibility fuzzy set-like theoretical ***,while considering significant evaluating factors,the flexibility of pPyFHSS is observed through structural comparison.

关键词： Hypersoft set Pythagorean fuzzy hypersoft set computational complexity multi-attribute decision-making optimization similarity measures uncertainty

Data-Driven Healthcare:The Role of Computational Methods in Medical Innovation

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Computer Modeling in Engineering & sciences 2025年第1期142卷 1-48页

作者： Hariharasakthisudhan Ponnarengan Sivakumar Rajendran Vikas Khalkar Gunapriya Devarajan Logesh Kamaraj Department of Mechanical Engineering Dr.Mahalingam College of Engineering and TechnologyPollachiCoimbatoreTamil Nadu642003India Department of Mechanical Engineering JKKN College of Engineering and TechnologyKumarapalayamNamakkalTamil Nadu637209India Department of Mechanical Engineering Gharda Institute of TechnologyLavelMaharashtra415708India Department of Electrical and Electronics Engineering Sri Eshwar College of EngineeringCoimbatoreTamilnadu641202India Department of Mechanical Engineering Vel Tech Rangarajan Dr.Sagunthala R&D Institute of Science and TechnologyChennai600062India

The purpose of this review is to explore the intersection of computational engineering and biomedical science,highlighting the transformative potential this convergence holds for innovation in healthcare and medical *** review covers key topics such as computational modelling,bioinformatics,machine learning in medical diagnostics,and the integration of wearable technology for real-time health *** findings indicate that computational models have significantly enhanced the understanding of complex biological systems,while machine learning algorithms have improved the accuracy of disease prediction and *** synergy between bioinformatics and computational techniques has led to breakthroughs in personalized medicine,enabling more precise treatment ***,the integration of wearable devices with advanced computational methods has opened new avenues for continuous health monitoring and early disease *** review emphasizes the need for interdisciplinary collaboration to further advance this *** research should focus on developing more robust and scalable computational models,enhancing data integration techniques,and addressing ethical considerations related to data privacy and *** fostering innovation at the intersection of these disciplines,the potential to revolutionize healthcare delivery and outcomes becomes increasingly attainable.

关键词： Computational models biomedical engineering bioinformatics machine learning wearable technology