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SSRN 2024年

作者： Wu, Zhenjiang Chen, Shuqun Shao, Mengxue Liu, Yue Li, Yangzhong Peng, Jian Li, Hongyi Wang, Jinshu Key Laboratory of Advanced Functional Materials Education Ministry of China College of Materials and Engineering Beijing University of Technology Beijing100124 China Beijing University of Technology China High Performance Computing Department National Supercomputing Center in Shenzhen Guangdong Shenzhen518055 China State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China

Boronizing of nickel based superalloys is of great interests in aerospace industry due to the excellent wear resistance, however, little information has been known on its phase formation and load-dependent wear mechanism. In this work, high quality boronized layer was developed on the Inconel 718 alloy by powder pack-boriding process at 850 °C for 6 h under argon atmosphere. The microstructure characteristics and load-dependent tribological behaviors of the boronized layers were systematically investigate. It is found that the main boronized layer on Inconel 718 alloy consists of a ~11.3 um thick compound layer with nanocrystalline (Ni,Fe)23B6 and (Cr,Fe)B grains, and a ~10.9 um thick diffusion layer with dendritic Cr2B precipitation within the matrix. The phase evolution of the boronizing layer are explainable by thermodynamic modeling of Ni-Cr-B system and the phase stability for metastable Ni-B compounds is confirmed by DFT simulation. Due to the good interfacial bonding strength and high microhardness value, the boronized layer displays excellent wear resistance against Si3N4 ceramic balls at room temperature. In particular, the wear rates of the specimens under applied loads of 10-20 N are higher than those in the 50-100 N loads case. The latter is mainly facilitated by the formation of lubricating boron oxide tribolayer on friction ball surface. We believe the findings in present work will contribute to a deeper understanding of the boronizing treatment in nickel-based superalloys. © 2024, The Authors. All rights reserved.

关键词： Wear resistance

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Surface Roughening of Sio2 Filler to Enhance the High-Frequency Dielectric and Thermal Properties of Sio2/Ptfe Composites

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SSRN 2022年

作者： Li, Xin Zhou, Jing Shen, Jie He, Wenhao Yu, Yuanying Li, Qiangzhi Chen, Wen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China

Low dielectric constant (Εr), low dielectric loss (tan δ), and low coefficient of thermal expansion (CTE) are necessary for polytetrafluoroethylene (PTFE)-based composites in high-frequency applications. In this paper, we construct the rough structure on the SiO2 filler surface to enhance the performance of SiO2/PTFE composites through a physical interaction way without coupling agents. The microstructure, interfacial combination, dielectric, and thermal properties of SiO2/PTFE composites were systematically investigated using the rough surface SiO2 (rSiO2). The results show that rSiO2 has a superior interfacial combination with PTFE than the smooth surface SiO2 (sSiO2), and the rSiO2 is more uniformly dispersed in the PTFE matrix, these result in a decrease in tan δ and CTE of the rSiO2/PTFE composites from 2.07–4.89 × 10-3, 80 ppm/°C for sSiO2/PTFE to 1.41–3.38 × 10-3, 67 ppm/°C (10–38 GHz). Meanwhile, the rSiO2/PTFE composites are kept in the low Εr (about 2.40, at 38 GHz). The rSiO2/PTFE composites possess excellent dielectric and thermal properties, making it promising for higher frequency applications. © 2022, The Authors. All rights reserved.

关键词： Silica

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Simultaneous optimization of lattice and spin configurations in atomic scale simulation of magnetic materials

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Physical Review B 2025年第13期111卷 134412-134412页

作者： Zhengtao Huang Teng Yang Hanxing Liu Ben Xu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center for Smart Materials and Device Integration School of Material Science and Engineering Wuhan University of Technology Wuhan 430070 People's Republic of China Graduate School of China Academy of Engineering Physics Beijing 100088 People's Republic of China School of Materials Science and Engineering Tsinghua University Beijing 100084 People's Republic of China

Large scale atomistic simulations involving spin-lattice coupling are at the forefront of research in condensed matter physics and materials science. A key challenge lies in determining the ground state configurations of spins and lattices given this strong coupling, complicated by their evolution adherence to distinct governing equations. Unlike first-principles calculations, where the magnetic configuration is naturally determined by minimizing the electronic energy, no existing algorithm can simultaneously optimize both lattice and spin degrees of freedom at the atomic scale. This paper introduces a synergistic optimization framework for lattice and spin optimization in magnetic materials, overcoming the conventional separation approach. Employing a “pseudoatomic” method, the simultaneous optimization of atomic and spin configurations enhances accuracy and speed, enabling both atomic scale precision and large scale calculations. Applied to face-centered-cubic iron and BiFeO3, this approach demonstrates effective convergence, offering a robust tool for complex spin-lattice coupling problems, which paves a path for addressing high-dimensional optimization problems.

关键词： Atoms

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Surface Microtopography Construction and Osteogenic Properties Evaluation Of Bulk Polylactic Acid Implants

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SSRN 2023年

作者： Lin, Si Yuan, Xiaoting Du, Xinrui An, Ran Han, Yingchao State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Biomedical Materials and Engineering Research Center of Hubei Province Wuhan University of Technology Wuhan430070 China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valley Foshan528200 China

In this study, polylactic acid (PLA) microspheres were used as the raw material to construct bulk implants with surface microtopography through hot pressing and heat treatment, and the microtopographical structures were regulated through the sizes of the PLA microspheres. The surface microtopographies of PLA implants were successfully constructed using micron-sized bulges, which showed a wave-like structure. The ridge width of bulges ranged from 1.64 ± 0.16 µm to 82.52 ± 14.38 µm and the valley depth ranged from 0.49 ± 0.07 µm to 37.35 ± 6.78 µm according to the sizes of microspheres. The nanoindentation tests showed that the modulus and hardness of PLA implants were gradually increased with the decrease in microsphere sizes. The surface microtopography resulted in a slight increase in the hydrophobicity of the PLA implants, but no significant differences were observed. Cells cultured on the implant surface with microtopography exhibited varying proliferation and morphological responses, and significantly increased osteogenic activity was observed relative to a PLA flat film. This study demonstrated that the surface microtopography derived from PLA microspheres could regulate cellular response and activate osteogenic properties of PLA implants. © 2023, The Authors. All rights reserved.

关键词： Microspheres

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Crystal Structure, Cation Distribution and Electrical Properties in NixAlyMn3-x-yO4 (0 < X < 0.6;0 < Y < 0.3) Spinel-Based Ntc Chip Thermistors

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SSRN 2023年

作者： Shao, Gang-Qin Cen, Quan-Jin Chen, Zhi-Hua Zhang, Ji-Wei Xie, Meng-Xiang Li, Qiang Cao, Xiu-Hua Wang, Wen-Hao Wang, Yan-Pei Wu, Hou-Ran Hu, Chun-Yuan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Hubei Wuhan430070 China State Key Laboratory of Advanced Materials and Electronic Components Guangdong Fenghua Advanced Technology Holding Co. Ltd. 18 Fenghua Road Guangdong Zhaoqing526060 China

关键词： Manganites

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Photothermal Antibacterial Mos2 Composited Chitosan Hydrogel for Infectious Wound Healing

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SSRN 2023年

作者： Wang, Yue Liu, Kun Huang, Kai Huang, Ye Dai, Honglian State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Biomedical Materials and Engineering Research Center of Hubei Province Wuhan University of Technology Wuhan430070 China Foshan Xianhu Laboratory The Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valley Foshan528200 China

Pathological bacterial infection poses a serious threat to public health security. The excessive use of antibiotics has resulted in a serious decline in treatment effect and bacterial resistance. For the treatment of infected wounds, we compounded dopamine-assisted exfoliated molybdenum disulfide (MoS2@PDA) into lipoic acid modified chitosan (LAMC) to obtain a composite hydrogel dressing (LAMC-MoS2@PDA). LAMC-MoS2@PDA hydrogels exhibited excellent photothermal conversion ability and the LAMC-MoS2@PDA2 group has a photothermal conversion efficiency of 26.29%. Meanwhile, they showed good biocompatibility and ROS scavenging activity in vitro. Photothermal therapy usually utilizes photothermal agents to convert near-infrared light into heat energy, which is conducive to destroying bacterial cell membranes, leading to the inactivation of bacterial proteins. After simulated by the near-infrared light, the antibacterial ratio of LAMC-MoS2@PDA hydrogels against Escherichia coli and Staphylococcus aureus reached nearly 100%, and the morphology of the bacteria showed obvious contraction and cleavage. The hydrogels also showed an excellent antibacterial effect and wound healing promotion in the infected wound of rats. In particular, the LAMC-MoS2@PDA2 (+) group showed an almost complete wound closure after 14 days, indicating that the LAMC-MoS2@PDA hydrogels have great potential in clinic anti-infected treatment. © 2023, The Authors. All rights reserved.

关键词： Chitosan

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Ferroelectric engineering:Enhanced thermoelectric performance by local structural heterogeneity

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Science China materials 2022年第6期65卷 1615-1622页

作者： Xiangyu Meng Shuo Chen Haoyang Peng Hui Bai Shujun Zhang Xianli Su Gangjian Tan Gustaaf Van Tendeloo Zhigang Sun Qingjie Zhang Xinfeng Tang Jinsong Wu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Nanostructure Research Center Wuhan University of TechnologyWuhan 430070China Institute for Superconducting and Electronic Materials Australian Institute for Innovative MaterialsUniversity of WollongongWollongongNSW 2500Australia EMAT(Electron Microscopy for Materials Science) University of AntwerpBelgium

Although traditional ferroelectric materials are usually dielectric and nonconductive,GeTe is a typical ferroelectric semiconductor,possessing both ferroelectric and semiconducting *** is also a widely studied thermoelectric material,whose performance has been optimized by doping with various ***,the impact of the ferroelectric domains on the thermoelectric properties remains unclear due to the difficulty to directly observe the ferroelectric domains and their evolutions under actual working conditions where the material is exposed to high temperatures and electric ***,based on in-situ investigations of the ferroelectric domains and domain walls in both pure and Sb-doped GeTe crystals,we have been able to analyze the dynamic evolution of the ferroelectric domains and domain walls,exposed to an electric field and *** structural heterogeneities and nano-sized ferroelectric domains are generated due to the interplay of the Sb^(3+)dopant and the Ge-vacancies,leading to the increased number of charged domain walls and a much improved thermoelectric *** work reveals the fundamental mechanism of ferroelectric thermoelectrics and provides insights into the decoupling of previously interdependent properties such as thermo-power and electrical conductivity.

关键词： charged domain walls bound charge local structural heterogeneity high-performance thermoelectric

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Directing Ni/Al Layered Double Hydroxides Nanosheets on Tubular Graphite Carbon Nitride for Promoted Photocatalytic Hydrogen Production

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SSRN 2024年

作者： Jiang, Ze-Yu Ran, Mao-Jin Liu, Kai Huang, Yi-Fu Li, Zhi-Rong Shen, Ting-Ting Li, Wan-Ying Khojiev, Shokir Hu, Zhi-Yi Liu, Jing Chen, Li-Hua Li, Yu Su, Bao-Lian State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Hubei Wuhan430070 China Wuhan University of Technology 122 Luoshi Road Hubei 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 University of Namur 61 rue de Bruxelles NamurB-5000 Belgium State Key Laboratory of Advanced Technology for Materials Synthesis and Processing China

Constructing heterojunctions via in-situ growth or mechanical mixing have been widely used for improving the photogenerated carrier separation and photocatalytic activity. However, interface transfer impedance and the charge transfer channels of heterojunction prepared by in-situ method are rarely discussed. In this work, we use tubular g-C3N4 (TCN) as the basic photocatalyst and in-situ growth of nickel/aluminum layered double hydroxide (LDH) nanosheets as co-catalyst on the surface of TCN (TCN@Ni/Al-LDH) to show the advantage of the in-situ constructing heterojunction for highly enhanced photocatalytic hydrogen production. The results show that the TCN@Ni/Al-LDH-60 exhibits the best hydrogen production performance of 1428 μmol h-1 g-1, which is 53.3 and 21.33 times higher than that of TCN and mechanical prepared TCN/Ni/Al-LDH-60. For the first time, we propose a statistics model to reveal that the contact area of the heterojunction TCN@Ni/Al-LDH-60 is 2.88 times that of TCN/Ni/Al-LDH-60. This largely increases the charge transfer channels for the photogenerated carrier transport. In addition, the in-situ growth of TCN@Ni/Al-LDH composites increases the active sites, which improves the utilization efficiency of the photogenerated electrons. This study would shed some light on analyzing the in-situ constructing heterojunction photocatalysts for efficient photocatalytic hydrogen production through photocatalytic water splitting. © 2024, The Authors. All rights reserved.

关键词： Heterojunctions

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Tuning the Oxygen Vacancies and Mass Transfer of Porous Conductive Ceramic Supported Irox Catalyst Via Polyether Derived Composite Oxide Pyrolysis: Toward a Highly Efficient Oxygen Evolution Reaction Catalyst for Water Electrolysis

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SSRN 2023年

作者： Zhang, Hao Zhu, Liyan Shen, Yuhan Wu, Mingjuan Tian, Tian Tang, Haolin State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valley Foshan528200 China Hubei Key Laboratory of Fuel Cell Wuhan430070 China

Slow oxygen evolution reaction (OER) and material transport impedance in catalyst coated membrane (CCM) are major challenges for the practical proton exchange membrane water electrolyzer (PEMWE). Herein, we present a novel OER catalyst with a multilevel porous support and abundant oxygen vacancies to boost efficiency and durability in water electrolysis. The formation of a heterointerface with abundant oxygen vacancies in IrOx improves the catalytic activity and prevents IrOx from peroxidation. Furthermore, the unique pore structure of the support facilitates the mass transport of the anode catalyst layer during water electrolysis at high current density, and the material transport resistance of the water electrolyzer is only 0.0154 Ω cm2 at 1.5 A cm-2. When used in a PEMWE, the prepared electrocatalysts have an impressive electrochemical performance of 1.87 V at 3·A cm-2 with an Ir loading of only 0.91 mg cm-2. This approach highlights the importance of oxygen vacancies and transportation in the catalyst-support interface, providing a promising solution for high-rate practical water electrolysis. © 2023, The Authors. All rights reserved.

关键词： Mass transfer

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Effect of Additive Content on Texture Evolution and Mechanical Properties of Si3N4 Ceramics Prepared by Hot Pressing

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SSRN 2023年

作者： Shi, Yunwei He, Qianglong Wang, Aiyang Ren, Yichao Wang, Jinghan Wang, Hao Wang, Weimin Fu, Zhengyi State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China Hubei Longzhong Laboratory Hubei Xiangyang441000 China

The purpose of this research is to investigate influence of additive content on sintering behavior, texture evolution and mechanical properties of Si3N4 ceramics systematically. Si3N4 ceramics with different additive contents are prepared by hot pressing at 1750 °C for 1h. XRD analysis confirms that the densification process is dominated by particle rearrangement instead of phase transformation. Grain morphology characterization demonstrates that additive content affects relative amount between textured [[EQUATION]]-Si3N4 grains and [[EQUATION]]-Si3N4 nuclei during initial sintering. During subsequent sintering, [[EQUATION]]-Si3N4 nuclei surrounded by residual liquid phase elongated randomly, and then weaken texture degree of Si3N4 ceramics. The texture degree of Si3N4 ceramics decreases first and then increases as additives increase steadily. Based on the CTE misfit model and the stochastic model of crack propagation, texture degree, residual stress and grain size have a synergistic effect on crack propagation behavior of [[EQUATION]]-Si3N4 ceramics. The outstanding flexural strength (1096 MPa) and fracture toughness (10.61 MPa[[EQUATION]]m1/2) is achieved in hot pressed SN21 with a relatively high texture degree (fL=0.213). © 2023, The Authors. All rights reserved.

关键词： Ductile fracture

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