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SSRN 2022年

作者： Li, Qizhong Zhang, Yixuan Ji, Baifeng Zhang, Song Tu, Rong Hubei Key Laboratory of Advanced Technology for Automotive Components Wuhan University of Technology Wuhan430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Wuhan430070 China School of Civil Engineering and Architecture Wuhan University of Technology 122 Luoshi Road Wuhan430070 China Chaozhou Branch of Chemistry and Chemical Engineering Guangdong Laboratory Chaozhou521000 China Wuhan University of Technology Advanced Engineering Technology Research Institute of Zhongshan City Xiangxing Road 6 Guangdong Zhongshan528400 China

The physical field in halide chemical vapour deposition film growth is strongly affected by the structure of the reaction chamber. Notably, a highly uniform film thickness can be achieved by optimising this chamber. Therefore, after modelling a reactor, computational fluid dynamics was used in this study to measure temperatures and verify the accuracy of simulations. Based on changes in the substrate surface concentration and temperature, the feasibility of optimising the size and position of the baffle and the inclination angle of the spray holes was studied. The results revealed that on increasing the diameter of the baffle gradually, the uniformity of the substrate surface initially increased and then decreased. The most critical influence of the baffle position is the amount of gas on the substrate surface. As the inclination angle of the spray holes increased, the concentration at the centre of the substrate surface decreased, whereas that at the edge of the substrate increased. Meanwhile, the temperature field remained uniform after optimization. This study demonstrates that the showerhead and baffle can improve the physical field and that it is feasible to optimise the structure by analysing the physical field. © 2022, The Authors. All rights reserved.

关键词： Structural optimization

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Microstructure, mechanical and tribological properties of (TiZrNb)(C x N 1- x ) multi-component carbonitrides

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Journal of Alloys and Compounds 2025年 1036卷

作者： Ming Li Wen Zhang Ziheng Chen Fangwang Fu Jinyong Zhang Lin Ren Fan Zhang Weimin Wang Zhengyi Fu Hubei Longzhong Laboratory Wuhan University of Technology Xiangyang Demonstration Zone Xiangyang 441000 PR China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 PR China

A series of multi-component carbonitrides (TiZrNb)(C x N 1- x ) ( x  = 1.0, 0.9, 0.8, 0.7, 0.6, 0.5) are successfully synthesized via spark plasma sintering (SPS). The effects of nitrogen concentration on the microstructure, mechanical properties, and tribological behavior of multi-component carbonitrides are systematically investigated. Homogeneous single-phase face-centered cubic ceramics are obtained by sintering at 1800°C for 10 min. With the increasing nitrogen content, significant grain refinement and enhanced densification are achieved. MCC5N5 exhibits a relatively fine microstructure (2.1 ± 0.4 μm) and a high relative density (99.8 %), resulting in exceptional mechanical properties with a Vickers hardness of 19.1 ± 0.3 GPa, fracture toughness of 5.2 ± 0.1 MPa·m 1/2 and flexural strength of 766 ± 51 MPa. The tribological evaluation reveals that while the wear resistance slightly decreases with rising nitrogen content, all samples maintains relatively low and stable coefficients of friction. The measured coefficients of friction (COF) for MCC, MCC7N3 and MCC5N5 were 0.31, 0.35 and 0.49, respectively. These results highlight the significant potential of (TiZrNb)(C x N 1- x ) ceramics for structural applications.

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Electrically controlled nonvolatile switching of single-atom magnetism in a Dy@C84 single-molecule transistor

arXiv

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arXiv 2024年

作者： Wang, Feng Shen, Wangqiang Shui, Yuan Chen, Jun Wang, Huaiqiang Wang, Rui Qin, Yuyuan Wang, Xuefeng Wan, Jianguo Zhang, Minhao Lu, Xing Yang, Tao Song, Fengqi National Laboratory of Solid State Microstructures Collaborative Innovation Center of Advanced Microstructures School of Physics Nanjing University Nanjing210093 China Institute of Atom Manufacturing Nanjing University Suzhou215163 China State Key Laboratory of Materials Processing and Die & Mould Technology School of Materials Science and Engineering Huazhong University of Science and Technology Wuhan430074 China School of Materials Science and Engineering Hefei University of Technology Hefei230009 China MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter School of Physics Xi'an Jiaotong University Xi’an710049 China Center for Quantum Transport and Thermal Energy Science School of Physics and Technology Nanjing Normal University Nanjing210023 China School of Electronic Science and Engineering Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing210023 China

Single-atom magnetism switching is a key technique towards the ultimate data storage density of computer hard disks and has been conceptually realized by leveraging the spin bistability of a magnetic atom under a scanning tunnelling microscope. However, it has rarely been applied to solid-state transistors, an advancement that would be highly desirable for enabling various applications. Here, we demonstrate realization of the electrically controlled Zeeman effect in Dy@C84 single-molecule transistors, thus revealing a transition in the magnetic moment from 3.8 μB to 5.1 μB for the ground-state GN at an electric field strength of 3 − 10 MV/cm. The consequent magnetoresistance significantly increases from 600% to 1100% at the resonant tunneling point. Density functional theory calculations further corroborate our realization of nonvolatile switching of single-atom magnetism, and the switching stability emanates from an energy barrier of 92 meV for atomic relaxation. These results highlight the potential of using endohedral metallofullerenes for high-temperature, high-stability, high-speed, and compact single-atom magnetic data storage. © 2024, CC BY.

关键词： Magnetic storage

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Porous nitrogen-doped carbon/MnO coaxial nanotubes as an efficient sulfur host for lithium sulfur batteries

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Nano Research 2019年第1期12卷 205-210页

作者： Chao Lin Longbing Qu Jiantao Li Zhengyang Cai Haoyun Liu Pan He Xu Xu Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyLuoshi Road 122Wuhan 430070China Department of Mechanical Engineering The University of MelbourneVictoria 3010Australia

As a promising candidate for next generation energy storage devices, lithium sulfur (Li-S) batteries still confrant rapid capacity degradation and low rate capability. Herein, we report a well-architected porous nitrogen-doped carbon/MnO coaxial nanotubes (MnO@PNC) as an efficient sulfur host material. The host shows excellent electron conductivity, sufficient ion transport channels and strong adsorption capability for the polysulfides, resulting from the abundant nitrogen-doped sites and pores as well as MnO in the carbon shell of MnO@PNC. The MnO@PNC-S composite electrode with a sulfur content of 75 wt.% deliveries a specific capacity of 802 mAh·g^-1 at a high rate of 5.0C and outstanding cycling stability with a capacity retention of 82% after 520 cycles at 1.0C.

关键词： nitrogen doping porous MnO carbon nanotubes sulfur batteries

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Modeling and Simulation of Valve Cycle in Vein Using an Immersed Finite Element Method

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Computer Modeling in Engineering & Sciences 2020年第4期123卷 153-183页

作者： Xiang Liu Liangbo Sun Mingzhen Wang Bin Li Lisheng Liu Department of Engineering Structure and Mechanics Wuhan University of TechnologyWuhan430070China College of Mechanical Engineering Wuhan Polytechnic UniversityWuhan430048China China Special Vehicle Research Institute Aviation Key Scientific and Technological Laboratory of High Speed HydrodynamicJingmen448035China Nanjing University of Aeronautics and Astronautics Nanjing210016China State Key Laboratory of Advanced Technology of Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China.

A vein model was established to simulate the periodic characteristics of blood flow and valve deformation in blood-induced valve *** an immersed finite element method which was modified by a ghost fluid technique,the interaction between the vein and blood was *** an independent solid solver,the contact force between vein tissues was calculated using an adhesive contact method.A benchmark simulation of the normal valve cycle validated the proposed model for a healthy *** the opening orifice and blood flow rate agreed with those in the *** blood shear stress and maximum leaflet stress were also seen in the base region of the *** the basis of the healthy model,a diseased vein model was subsequently built to explore the sinus lesions,namely,fibrosis and atrophy which are assumed stiffening and softening of the *** results showed the opening orifice of the diseased vein was inversely proportional to the corresponding modulus of the sinus.A drop in the transvalvular pressure gradient resulted from the sinus *** to the fibrosis,the atrophy of the sinus apparently improved the vein deformability but simultaneously accelerated the deterioration of venous disease and increased the risk of potential *** results provide understandings of the normal/abnormal valve cycle in vein,and can be also helpful for the prosthesis design.

关键词： Numerical simulation fluid-structure interaction immersed finite element method adhesive contact method bio-mechanics venous valve.

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Tailoring nanoprecipitates for ultra-strong high-entropy alloys via machine learning and prestrain aging

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Journal of materials Science & technology 2021年第10期69卷 156-167页

作者： Tao Zheng Xiaobing Hu Feng He Qjngfeng Wu Bin Han Chen Da Junjie Li Zhijun Wang Jincheng Wang Ji-jung Kai Zhenhai Xia C.T.Liu State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an 710072China Center for Advanced Nuclear Safety and Sustainable Development City University of Hong KongHong KongChina Institute of Atomic and Molecular Science.Shaanxi University of Science and Technology Xi'an710021China Department of Material Science and Engineering College of Science and EngineeringCity University of Hong KongHong KongChina Department of Materials Science and Engineering University of North TexasDentonTXUSA Center for Advanced Structural Materials Department of Mechanical EngineeringCollege of Science and EngineeringCity University of Hong KongHong KongChina

The multi-principal-component concept of high-entropy alloys(HEAs) generates numerous new *** them,nanoscale precipitated HEAs have achieved superior mechanical properties and shown the potentials for structural ***,it is still a great challe nge to find the optimal alloy within the numerous *** to now,the reported nanoprecipitated HEAs are mainly designed by a trialand-error approach with the aid of phase diagram calculations,limiting the development of structural *** the current work,a novel method is proposed to accelerate the development of ultra-strong nanoprecipitated *** the guidance of physical metallurgy,the volume fraction of the required nanoprecipitates is designed from a machine learning of big data with thermodynamic foundation while the morphology of precipitates is kinetically tailored by prestrain *** a proof-of-principle study,an HEA with superior strength and ductility has been designed and systematically *** newly developed γ’-strengthened HEA exhibits 1.31 GPa yield strength,1.65 GPa ultimate tensile strength,and 15% tensile *** probe tomography and transmission electron microscope characterizations reveal the well-controlled high γ’ volume fraction(52%) and refined precipitate size(19 nm).The refinement of nanoprecipitates originates from the accelerated nucleation of the γ’ phase by prestrain aging.A deeper understanding of the excellent mechanical properties is illustrated from the aspect of strengthening mecha ***,the versatility of the current design strategy to other precipitation-hardened alloys is discussed.

关键词： High-entropy alloys Machine learning Prestrain aging Mechanical properties Strengthening mechanisms

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synthesis and Characterization of Red Emissive Carbon Quantum Dots for Mb Degradation

SSRN

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SSRN 2024年

作者： Khojiev, Shokir Khojieva, Gulmira Chen, Dan Chen, Jun Mohamed, Hemdan S.H. Liu, Jing Li, Yu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Hubei Wuhan430070 China School of International Education Wuhan University of Technology Wuhan430070 China Center for Advanced Technology under Agency for Innovative Development of the Republic of Uzbekistan The Ministry of Higher Education Science and Innovation University Street 3A Tashkent100174 Uzbekistan Department of Physical Chemistry Faculty of Chemistry National University of Uzbekistan University Street 4 Tashkent100174 Uzbekistan Physics Department Faculty of Science Fayoum University El Gomhoria Street Fayoum63514 Egypt

The one-step solvothermal method for the synthesis of R-CQDs by using 1,3-naphthalenediol was used. R-CQDs have an average particle size of 5nm with the functional groups, the presence of both D and G bands signifies successful construction of CQDs with sp2 core and sp3 hybridised matrix. R-CQDs exhibit a wide absorption peak at 512nm, while the emission intensity is highest at 610nm. R-CQDs show high photocatalytic performance for the photodegradation efficiency of 96% in 180 min. Its photocatalytic degradation rate constant was as 0.0167 min−1. R-CQDs demonstrated uniformly performance, making them superior photocatalyst in a variety of pH media. © 2024, The Authors. All rights reserved.

关键词： Degradation

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Optimizing Photocatalytic Performance: Composition-Dependent Methylene Blue Degradation Using Green-Synthesized Nanographene Oxide–Manganese Oxide Nanocomposites

SSRN

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SSRN 2025年

作者： Mathew, Shanty Madanu, Thomas L. Kuriakose, Anna Kathyayini, H. Chandran, Ashly P. Su, Bao-Lian Colomer, Jean Francois St. Joseph’s Research Institute Shanthinagar Bengaluru India Department of Chemistry Sir M. Visvesvaraya Institute of Technology Off International Airport Road Bengaluru562157 India Centre for Incubation Innovation Research and Consultancy Jyothy Institute of Technology Thataguni Bengaluru India University of Namur Rue de Bruxelles 61 NamurB- 5000 Belgium University of Namur Rue de Bruxelles 61 NamurB-5000 Belgium State Key Laboratory of Advanced Technology for Materials Synthesis and Processing China

The presence of toxic dye compounds in industrial effluents poses a significant environmental and public health challenge. Therefore, sustainable techniques for the removal of dyes from wastewater, particularly from the printing and dyeing industries, are in high demand. Photocatalysis using nanocomposites has emerged as a promising solution to this issue. In this study, nanographene oxide-manganese oxide (NGO-Mn₃O₄) nanocomposites were synthesized using the sol-gel method in three different weight ratios: 1:9, 1:1, and 9:1. The crystalline structure, morphological features, and optical properties of these nanocomposites were characterized using powder X-ray diffraction (PXRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS), and Ultraviolet-visible Diffuse Reflectance Spectroscopy (UV-vis DRS). The photocatalytic performance of the NGO-Mn₃O₄ nanocomposites was evaluated by examining the degradation of methylene blue, a thiazine dye, under UV radiation at a wavelength of 254 nm. Among the three compositions, the 9:1 NGO-Mn₃O₄ nanocomposite exhibited excellent dye degradation with 96% efficiency in just 10 minutes. The study also revealed that composites with a lower band gap demonstrated enhanced photodegradation activity. © 2025, The Authors. All rights reserved.

关键词： Sol-gel process

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Coupling Manipulation of Interfacial Chemistry and Coordination Structure in Vanadium Oxides Enables Rapid Magnesium Ion Diffusion Kinetics

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Angewandte Chemie 2024年第2期137卷

作者： Weixiao Wang Wenwen Wang Prof. Fangyu Xiong Jiashen Meng Jinsong Wu Wei Yang Juncai Long Jinghui Chen Jiajun Chen Prof. Qinyou An State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China College of Materials Science and Engineering Chongqing University Chongqing 400030 China

Rechargeable magnesium batteries (RMBs) are a highly promising energy storage system due to their high volumetric capacity and intrinsic safety. However, the practical development of RMBs is hindered by the sluggish Mg 2+ diffusion kinetics, including at the cathode-electrolyte interface (CEI) and within the cathode bulk. Herein, we propose an efficient strategy to manipulate the interfacial chemistry and coordination structure in oligolayered V 2 O 5 (L−V 2 O 5 ) for achieving rapid Mg 2+ diffusion kinetics. In terms of the interfacial chemistry, the specific exposed crystal planes in L−V 2 O 5 possess strong electron donating ability, which helps to promote the degradation dynamics of C−F/C−S bonds in the electrolyte, thereby establishing the inorganic-organic interlocking CEI layer for rapid Mg 2+ diffusion. In terms of the coordination structure, the straightened V−O structure in L−V 2 O 5 provides efficient ions diffusion path for accelerating Mg 2+ diffusion in the cathode. As a result, the L−V 2 O 5 delivers a high reversible capacity (355.3 mA h g −1 at 0.1 A g −1 ) and an excellent rate capability (161 mAh g −1 at 1 A g −1 ). Impressively, the interdigital micro-RMBs is firstly assembled, exhibiting excellent flexibility and practicability. This work gives deeper insights into the interface and interior ions diffusion for developing high-kinetics RMBs.

关键词： Rechargeable magnesium batteries Interfacial chemistry Atomically thin vanadium oxide Interdigital microdevices

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Evaluating the present and future of organic batteries

Nature Reviews Clean Technology

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Nature Reviews Clean technology 2025年 1-18页

作者： Huichao Dai Linnan Guan Minglei Mao Chengliang Wang School of Integrated Circuits State Key Laboratory of New Textile Materials and Advanced Processing Key Laboratory of Material Chemistry for Energy Conversion and Storage (Ministry of Education) Huazhong University of Science and Technology Wuhan China

The surge in electricity demand and the pursuit of sustainability position organic batteries as potential alternatives to conventional inorganic systems. In this Review, we quantitatively and mechanistically analyse the inherent characteristics of organic materials in comparison to inorganic materials and compare the electrochemical performance of organic and inorganic batteries. Owing to their weak intermolecular interactions (bond energy <100 kJ mol−1), light weight (density <2 g cm−3), high flexibility (Young’s modulus <10 GPa), high and non-selective ion diffusion coefficients (up to 10−8–10−9cm2s−1), low synthesis temperatures (<200 °C) and potentially high specific capacity, organic batteries might find application in high-specific-energy, large-scale, flexible devices or operating under extreme conditions such as ultrafast charging (higher than 10 C) and a wide temperature range (from −60 °C to 70 °C). Designability of organic electrode materials offers flexibility to tailor the properties of active materials to the requirements of different applications. Moreover, the optimization of the components and design packaging of organic batteries should also be considered in the development of large-scale cells. To advance practical applications, more attention should be paid to the sustainability, scalability and implementation aspects of organic batteries as well as performance standards, policies and regulations.

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