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A High-Accuracy Curve Boundary Recognition Method Based on the Lattice Boltzmann Method and Immersed Moving Boundary Method

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Computer Modeling in Engineering & Sciences 2024年第9期140卷 2533-2557页

作者： Jie-Di Weng Yong-Zheng Jiang Long-Chao Chen Xu Zhang Guan-Yong Zhang hunan Provincial Key Laboratory of Health Maintenance for Mechanical Equipment Hunan University of Science and TechnologyXiangtan411201China School of Mechanical Engineering Hunan Chemical Vocational Technology CollegeZhuzhou412000China

Applying numerical simulation technology to investigate fluid-solid interaction involving complex curved bound-aries is vital in aircraft design,ocean,and construction ***,current methods such as Lattice Boltzmann(LBM)and the immersion boundary method based on solid ratio(IMB)have limitations in identifying custom curved ***,IBM based on velocity correction(IBM-VC)suffers from inaccuracies and numerical ***,this study introduces a high-accuracy curve boundary recognition method(IMB-CB),which identifies boundary nodes by moving the search box,and corrects the weighting function in LBM by calculating the solid ratio of the boundary nodes,achieving accurate recognition of custom curve *** addition,curve boundary image and dot methods are utilized to verify *** findings revealed that IMB-CB can accurately identify the boundary,showing an error of less than 1.8%with 500 ***,the flow in the custom curve boundary and aerodynamic characteristics of the NACA0012 airfoil are calculated and compared to *** showed that IMB-CB yields lower lift and drag coefficient errors than IBM-VC,with a 1.45%drag coefficient *** addition,the characteristic curve of IMB-CB is very stable,whereas that of IBM-VC is *** the moving boundary problem,LBM-IMB-CB with discrete element method(DEM)is capable of accurately simulating the physical phenomena of multi-moving particle flow in complex curved *** research proposes a new curve boundary recognition method,which can significantly promote the stability and accuracy of fluid-solid interaction simulations and thus has huge applications in engineering.

关键词： Fluid-solid interaction curve boundary recognition method Lattice Boltzmann method immersed moving boundary method

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PVDF-assisted pyrolysis strategy for corrugated plate oxygen electrocatalysis nanoreactor:Simultaneously realizing efficient active sites and rapid mass transfer

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Journal of Energy Chemistry 2024年第10期97卷 612-621页

作者： Chenxi Xu Liang Chen Haihui Zhou Shifeng Qin Zhaohui Hou Yangyang Chen Jiale Sun Junwei Xu Zhongyuan Huang college of Chemistry and chemical Engineering Hunan University college of Materials Science and technology Central South University of Forestry and Technology Key Laboratory of hunan Province for Advanced Carbon-based Functional Materials School of Chemistry and Chemical Engineering Hunan Institute of Science and Technology

Though Zn-air batteries(ZABs) are one of the most promising system for energy storage and conversion,challenge still persists in its commercial application due to the sluggish kinetics of oxygen reduction/evolution reaction(ORR/OER).Hereby,a polyvinylidene fluoride(PVDF)-assisted pyrolysis strategy is proposed to develop a novel corrugated plate-like bifunctional electrocatalyst using two-dimensional zeolitic imidazolate frameworks(2D ZIF-67) as the *** employed PVDF plays an important role in inheriting the original 2D structure of ZIF-67 and modulating the composition of the final *** a result,a corrugated plate-like electrocatalyst,high-density Co nanoparticles decorated 2D Co,N,and F tri-doped carbon nanosheets,can be *** acquired electrocatalyst enables efficient active sites and rapid mass transfer simultaneously,thus showing appreciable electrocatalytic performance for rechargeable Zn-air ***,our proposed strategy offers a new perspective to the design of advanced oxygen electrocatalysts.

关键词： Active sites Corrugated plate Mass transfer Oxygen electrocatalyst Zn-air batteries

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Method for triangular fuzzy multiple attribute decision making based on two-dimensional density operator method

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Journal of Systems Engineering and Electronics 2024年第1期35卷 178-185页

作者： LIN Youliang LI Wu LIU Gang HUANG Dong School of Economics and Management Hunan Institute of Science and TechnologyYueyang 414000China hunan vocational college for Nationalities Yueyang 414000China School of Information Science and Engineering Hunan Institute of Science and TechnologyYueyang 414000China

Aiming at the triangular fuzzy(TF)multi-attribute decision making(MADM)problem with a preference for the distribution density of attribute(DDA),a decision making method with TF number two-dimensional density(TFTD)operator is proposed based on the density operator theory for the decision maker(DM).Firstly,a simple TF vector clustering method is proposed,which considers the feature of TF number and the geometric distance of ***,the least deviation sum of squares method is used in the program model to obtain the density weight ***,two TFTD operators are defined,and the MADM method based on the TFTD operator is ***,a numerical example is given to illustrate the superiority of this method,which can not only solve the TF MADM problem with a preference for the DDA but also help the DM make an overall comparison.

关键词： fuzzy decision making clustering density operator multi-attribute decision making(MADM)

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Additives strategies to improving cycling stability of Li metal batteries by modifying electrode electrolyte interphases

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Progress in Natural Science:Materials International 2024年第2期34卷 338-344页

作者： Yuan Li Pengfei Huang Chunyu Cui Xiaoyuan Ma Li Chen Zekun Li Linhai Li Yuhong Tian School of Biological and chemical Engineering Guangxi University of Science and Technology School of college of Chemistry and chemical Engineering Hunan University Isky Future Energy Institute

Li metal batteries（LMBs） have attracted much attention due to the ultra-high theoretical capacity of the Li metal anode（LMA）.However,the uncontrollable dendrites growth and low coulombic efficiency hinder their practical ***,we explore 3,5-difluoropyridine（2F-BD） as a novel electrolyte additive to enable highperformance *** 2F-BD additive participates in and modifies the solvation structure of Li ions by reducing the coordinated number of PF6-at the electrode surface,leading to the formation of a LiF and Li3N-rich solid electrolyte interphase（SEI）.The LiF component increases the robustness of SEI and suppresses the formation of Li dendrites,while the Li3N component facilitates the transportation and reaction kinetics of Li *** a result,the Li‖Li symmetric cell presents a stable cycling performance of up to 500 h at a current density of 1 mA *** coupling with LiFePO4cathode,the obtained full cell achieves high specific capacities of 106.06 mA h g-1and 84.98 mA h g-1at 2.55 mA cm-2and 5.10 mA cm-2,respectively,and maintains a high capacity retention of84.0% after 1000 cycles at 0.13 mA cm-2,with an average cycling CE of 99.58%.

关键词： Electrolyte additive Li dendrites Li metal batteries LiF and Li3N-Rich electrode-electrolyte interphase LiFePO4 cathode

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Rational design of practical layered transition metal oxide cathode materials for sodium-ion batteries

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Frontiers of chemical Science and Engineering 2024年第7期18卷 121-140页

作者： Yan Wang Ning Ding Rui Zhang Guanhua Jin Dan Sun Yougen Tang Haiyan Wang hunan Provincial Key Laboratory of chemical Power Sources College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083China college of Energy and chemical Engineering Xinjiang Institute of TechnologyAksu Prefecture 843100China

Sodium-ion batteries (SIBs), which serve as alternatives or supplements to lithium-ion batteries, have been developed rapidly in recent years. Designing advanced high-performance layered NaxTMO_(2) cathode materials is beneficial for accelerating the commercialization of SIBs. Herein, the recent research progress on scalable synthesis methods, challenges on the path to commercialization and practical material design strategies for layered NaxTMO_(2) cathode materials is summarized. Co-precipitation method and solid-phase method are commonly used to synthesize NaxTMO_(2) on mass production and show their own advantages and disadvantages in terms of manufacturing cost, operative difficulty, sample quality and so on. To overcome drawbacks of layered NaxTMO_(2) cathode materials and meet the requirements for practical application, a detailed and deep understanding of development trends of layered NaxTMO_(2) cathode materials is also provided, including high specific energy materials, high-entropy oxides, single crystal materials, wide operation temperature materials and high air stability materials. This work can provide useful guidance in developing practical layered NaxTMO_(2) cathode materials for commercial SIBs.

关键词： sodium-ion batteries layered oxide industrialization development prospect

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Synthesis of multifunctional additives for solid propellants:Structure,properties and mechanism

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Defence technology（防务技术） 2024年第3期33卷 308-316页

作者： Pingan Zhang Lina Sun Jianmin Yuan Jianru Deng college of Chemistry and chemical Engineering Hunan UniversityChangsha 410082PR China college of Material Science and Engineering Hunan UniversityChangsha 410082PR China Hu Bei Sanjiang Aerospace Jianghe chemical technology Co. LtdYichang 444200PR China

To simplify the composite propellant formulation and address the current issue of the single-functionality present in existing additives,the multi-cyano,amine-based polybutadiene(AEHTPB-CN)was prepared based on AEHTPB by adopting appropriate synthesis *** replacing 10% of HTPB binder in the propellant formulation,it can effectively enhance the interfacial bond strength between the propellant binder matrix and solid fillers(AP(ammonium perchlorate)and RDX(cyclotrimethylene-trinitramine)),the mechanical properties of the HTPB/AP/RDX/Al propellant were superior to blank control propellant with an improvement of 35.4% in tensile strength,62.0% enhancement in elongation at break,and reduce the propellant burn rate by 10.7% with any energy *** function mechanism of AEHTPB-CN was systematically elucidated through experiments and computer simulation *** results show that the tertiary amine group in AEHTPB-CN can react with AP to form ammonium ionic bonds,and the hydroxyl and cyano groups can form hydrogen bonding interactions with AP,which enables AEHTPB-CN to be firmly adsorbed on the AP surface through chemical and physical *** RDX,the interfacial bonding effect of AEHTPB-CN is attributed to their ability to form C-H···N≡C weak hydrogen bonding interaction between the cyano group and RDX methylene group.

关键词： Hydroxyl-terminated polybutadiene(HTPB) HTPB propellant chemical modification Bonding agent Mechanism

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Bimetal MOF-derived NiFe-P nanocomposites coupled with Cu_(3)P nanoparticles to construct tandem electron transfer channels for photocatalytic hydrogen evolution

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Journal of Environmental Sciences 2024年第3期137卷 333-346页

作者： Haiyan Zhang Shitao Yang Peng Zhu Senpei Tang Ming Li college of Chemistry and chemical Engineering Jishou UniversityJishou 416000China School of Account Hunan University of Technology and BusinessChangsha 410205China

Finely modulated light-induced charge separation and transfer is a central challenge to achieve efficient *** progress has been made in this field,most of the previous research works focused on the separation or migration of photogenerated carriers but did not build a bridge between the *** to realize the strong driving and precise migration of carriers has become the focus of our *** report an ingeniously designed ternary *** NiFe-MOF as the“parent material”,the FeP_(4)/Ni_(x)P_(y)heterojunction is derived in situ while maintaining the frame structure through gas-solid reaction,and finally the Z-type electron transfer is *** Cu_(3)P anchoring spindle matrix,an electron transport tunnel is opened up in Cu_(3)P/FeP_(4)/Ni_(x)P_(y)ternary heterojunction under the action of p-n heterojunction built-in electric field driving and accurate energy band *** strong driving force of the built-in electric field provides an inexhaustible power for the transmission of electrons,and the fine series of electron transmission channels realizes the precise transmission of *** above fine design makes the perfect fit between the built-in electric field and the electron transfer channel,which not only effectively improves the embarrassing situation of insufficient electron driving force of hydrogen evolution reaction in the previous research,but also makes up for the weakening of semi-conductor reduction ability caused by the construction of traditional p-n *** research work provides a new idea for the construction of multiple heterostructures and the design of fine interface engineering in the future.

关键词： Cu_(3)P/FeP_(4)/Ni_(x)P Built-in electric field Electron transfer channels Photocatalysis

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Co_(3)S_(4)-pyrolysis lotus fiber flexible textile as a hybrid electrocatalyst for overall water splitting

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Journal of Energy Chemistry 2024年第2期89卷 336-344,I0008页

作者： Qiulan Zhou Zhen Liu Xuxu Wang Yaqian Li Xin Qin Lijuan Guo Liwei Zhou Weijian Xu Academician Workstation Changsha Medical UniversityChangsha 410219HunanChina college of Chemistry and chemical Engineering Hunan UniversityChangsha 410082HunanChina college of Environmental Science and Engineering Hunan UniversityChangsha 410082HunanChina School of Basic Medicine Changsha Medical UniversityChangsha 410219HunanChina

Electrocatalytic overall water splitting(OWS),a pivotal approach in addressing the global energy crisis,aims to produce hydrogen and ***,most of the catalysts in powder form are adhesively bounding to the electrodes,resulting in catalyst detachment by bubble generation and other uncertain interference,and eventually reducing the OWS *** surmount this challenge,we synthesized a hybrid material of Co_(3)S_(4)-pyrolysis lotus fiber(labeled as Co_(3)S_(4)-p LF)textile by hydrothermal and hightemperature pyrolysis processes for electrocatalytic *** to the natural LF textile exposing the uniformly distributed functional groups(AOH,ANH_(2),etc.)to anchor Co_(3)S_(4)nanoparticles with hierarchical porous structure and outstanding hydrophily,the hybrid Co_(3)S_(4)-p LF catalyst shows low overpotentials at 10 m A cm^(-2)(η_(10,HER)=100 m Vη_(10,OER)=240 mV)alongside prolonged operational stability during electrocatalytic *** calculations reveal that the electron transfer from p LF to Co_(3)S_(4)in the hybrid Co_(3)S_(4)-p LF is beneficial to the electrocatalytic *** work will shed light on the development of nature-inspired carbon-based materials in hybrid electrocatalysts for OWS.

关键词： Overall water splitting Hybrid electrocatalyst Textile Lotus fiber Co_(3)S_(4)nanoparticles

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Four New Terpyridine Complexes Based Polyoxometalates with[W_(10)O_(32)]^(4-) Anions as High-Efficiency Dual-Site Catalysis for Thioether Oxidation Reaction

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Chinese Journal of Chemistry 2024年第6期42卷 592-598页

作者： Yin Zhang Wei-Dong Yu Fang-Qian Wang Xiangnan Wang Jiawan Zhou Chao Liu Jun Yan Junior Education Department Changsha Normal UniversityChangshaHunan410100 China School of Science Hunan University of Technology and BusinessChangshaHunan410000 China college of Chemistry and chemical Engineering Central South UniversityChangshaHunan410000 China

Polyoxometalates modified with complex cations have attracted increasing attention because of the fascinating properties and the controllable *** adjusting the synthesis conditions,four new terpyridine complexes based hybrid POMs,[(TPY-H)CuCl]_(4)[W_(10)O_(32)]·2DMF·2H_(2)O(1),[(TPY-H)Cu(DMSO)(H_(2)O)]_(2)[W_(10)O_(32)]·2H_(2)O(2),[(TPY-H)_(2)Cu]_(2)[W_(10)O_(32)]·6DMSO·8H_(2)O(3) and[(TPY-Br)CuCl(DMSO)(H_(2)O)]_(2)[(TPY-Br)CuCl]_(2)[W_(10)O_(32)]·2DMSO·4H_(2)O(4),were prepared by using‘one-pot’***-crystal X-ray diffraction analyses,infrared radiation,etc.,revealed the structural composition of compounds 1—4,which indicates that synthesis conditions have a directional regulatory effect on the compounds *** oxidation catalytic reactions show 1—4 have good catalytic activities,and powder X-ray diffraction and thermogravimetry analysis show 1—4 have superduper catalytic ***,4 has better catalytic activity because of the different structure of terpyridine ***,a possible mechanism of dual-site catalysis by both cations and anions is proposed.

关键词： Polyoxometalates Terpyridine complexes Thioether oxidation Dual-site catalysis Clusters

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chemical biology investigation of a triple-action,smart-decomposition antimicrobial booster based-combination therapy against“ESKAPE”pathogens

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Science China Chemistry 2024年第9期67卷 3071-3082页

作者： Min Wang Huangsheng Pu Yangfan Xu Chenxuan Wu Yuanxin Gu Qingyun Cai Guoxing Yin Peng Yin Chunhui Zhang Wing-Leung Wong Muyang Wan Yugang Bai Xinxin Feng State Key Laboratory of Chem-/Bio-Sensing and Chemometrics Hunan Provincial Key Laboratory of Biomacromolecular Chemical Biologyand School of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China college of Biology Hunan UniversityChangsha 410082China college of Advanced Interdisciplinary Studies&hunan Provincial Key Laboratory of Novel Nano Optoelectronic Information Materials and Devices National University of Defense TechnologyChangsha 410073China Nanhu Laser Laboratory National University of Defense TechnologyChangsha 410073China Key Laboratory of chemical Biology and Traditional Chinese Medicine Research(Ministry of Education) College of Chemistry and Chemical EngineeringHunan Normal UniversityChangsha 410081China State Key Laboratory of chemical Biology and Drug Discovery Department of Applied Biology and Chemical TechnologyThe Hong Kong Polytechnic UniversityHong Kong SAR 999077China hunan Provincial Key Laboratory of Anti-Resistance Microbial Drugs The Third Hospital of Changsha(The Affiliated Changsha Hospital of Hunan University)Changsha 410015China

The global antibiotic resistance crisis necessitates urgent *** innovative approach involves potentiating antibiotics and non-antibiotic drugs with adjuvants or boosters.A major drawback of these membrane-active boosters is their limited biocompatibility,as they struggle to differentiate between prokaryotic and eukaryotic *** study reports the chemical biology investigation of a dual-action oligoamidine(OA1)booster with a glutathione-triggered decomposition ***1,when combined with other antimicrobial molecules,exhibits a triple-targeting mechanism including cell membrane disruption,DNA targeting,and intracellular enzyme *** multi-targeting mechanism not only enhances the in vitro and in vivo eradication of antibiotic-resistant“ESKAPE”pathogens,but also suppresses the development of bacterial ***,OA1 maintains its activity in bacterial cells by creating an oxidative environment,while it quickly decomposes in mammalian cells due to high glutathione *** mechanistic insights and design principles may provide a feasible approach to develop novel antimicrobial agents and effective anti-resistance combination therapies.

关键词： antimicrobial booster oligoamidine membrane disruption DNA targeting triggered degradation anti-resistance

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