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Simulation of casting filling process using the lattice Boltzmann method

IOP Conference Series: materials Science and Engineering 2019年第1期529卷

作者： Y J Zhang X W Qian J X Zhou Y J Yin X Shen X Y Ji J L Huang State Key Laboratory of Material Processing and Die & Mould Technology Huazhong University of Science and Technology Wuhan 430074 China Advanced Forming Research Centre University of Strathclyde 85 Inchinnan Drive Renfrew PA4 9LJ United Kingdom

Numerical simulation of casting filling process with complex shape is time-consuming. Compared with the traditional SOLA-VOF method, the lattice Boltzmann method (LBM) calculates the pressure field by particle distribution functions instead of the correction of the velocity and pressure fields, which greatly simplifies the calculation process. In addition, the LBM provides a flexible approach which can be easily parallelized. In this study, the LBM is employed to simulate casting filling process. An implementation of a volume-of-fluid (VOF) method within the lattice Boltzmann framework is proposed to capture the free surface of the casting filling process. A Smagorinsky large eddy simulation (LES) model is adopted to improve the numerical stability of the LBM. An adaptive time stepping technique is implemented to ensure an efficient and stable simulation. The model is validated by the experimental and simulation results of Campbell box filling process. The filling process of complex casting is simulated, and the result is compared with the filling process obtained by the SOLA-VOF method. The prediction accuracy and reliability of free surface profile is analysed.

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Exploring the potential of one-dimensional van der Waals material V₂PS₁₀/carbon composite: An anode design paradigm for lithium-ion batteries

Next Materials

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Next materials 2023年第4期1卷

作者： Sun, Jichang Liu, Chuanbang Zheng, Penglun Chaturvedi, Apoorva Nam, Ki-Hun Li, Zhifa Liang, Qinghua Huang, Shaozhuan Fang, De Chai, Jingchao Liu, Quanyi Liu, Zhihong Teo, Edwin Hang Tong Jian, Zelang Shu, Wei Zheng, Yun Park, Cheol-Min Key Laboratory of Optoelectronic Chemical Materials and Devices Ministry of Education Jianghan University Wuhan 430056 China College of Civil Aviation Safety Engineering Civil Aviation Flight University of China Guanghan 618307 China School of Materials Science and Engineering Nanyang Technological University 50 Nanyang Avenue 639798 Singapore Department of Chemical Engineering The University of Melbourne Melbourne 3010 VIC Australia Key Laboratory of Catalysis and Energy Materials Chemistry of Ministry of Education & Hubei Key Laboratory of Catalysis and Materials Science South-Central Minzu University Wuhan 430074 China School of Electrical and Electronic Engineering Nanyang Technological University 50 Nanyang Avenue Singapore 639798 Singapore State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan 430070 China School of Materials Science and Engineering and Department of Energy Engineering Convergence Kumoh National Institute of Technology Gyeongbuk Gumi 39177 South Korea

One-dimensional (1D) van der Waals (vdW) materials have garnered significant attention for their unique structures and properties, making them promising candidates for various applications in optoelectronics, catalysis, energy storage, and sensors. However, further advancements are required to fully exploit their potential as energy storage devices. This study presents an anode design paradigm utilizing 1D vdW-based V₂PS₁₀ crystals characterized by large vdW gaps, a small bandgap, and distinctive chemical compositions that favor lithium storage. To enhance their performance, we employ surface modification techniques to create V₂PS₁₀ @C composites, where conductive carbon is integrated with V₂PS₁₀ crystals. This modification significantly improves electron transport and Li-ion diffusion within the composite anodes. The resulting composite anodes exhibit exceptional electrochemical properties, including a high discharge capacity of 1154 mAh g⁻¹ after the 50th cycle at 0.1 A g⁻¹, superior rate performance with a current density of 561 mAh g⁻¹ at 10 A g⁻¹, and prolonged cycling stability, maintaining a capacity of 605 mAh g⁻¹ for up to 800 cycles at 5 A g⁻¹. These remarkable electrochemical performances underscore the immense potential of 1D vdW-based materials as next-generation anodes for lithium-ion batteries. © 2023 The Authors

关键词： Cycling stability Lithium-ion battery One-dimensional material V2PS10 Van der Waals material

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Nanotube Arrays: In Situ Generated Gas Bubble‐Directed Self‐Assembly: synthesis, and Peculiar Magnetic and Electrochemical Properties of Vertically Aligned Arrays of High‐Density Co3O4Nanotubes (Adv. Funct. Mater. 19/2013)

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advanced Functional materials 2013年第19期23卷

作者： Guoxiu Tong Jianguo Guan Qingjie Zhang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology No.122 Luoshi Road Wuhan 430070 P. R. China College of Chemistry and Life Sciences Zhejiang Normal University Jinhua 321004 P. R. China

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Microdevices: Carbon-MEMS-Based Alternating Stacked MoS2@rGO-CNT Micro-Supercapacitor with High Capacitance and Energy Density (Small 26/2017)

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Small 2017年第26期13卷

作者： Wei Yang Liang He Xiaocong Tian Mengyu Yan Hui Yuan Xiaobin Liao Jiashen Meng Zhimeng Hao Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 P. R. China Department of Materials Science and NanoEngineering Rice University Houston TX 77005 USA Department of Chemistry University of California Berkeley CA 94720 USA

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Electric-field-assisted Proton Coupling Enhanced Oxygen Evolution Reaction

Research Square

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Research Square 2024年

作者： Pan, Xuelei Yan, Mengyu Liu, Qian Zhou, Xunbiao Liao, Xiaobin Sun, Congli Zhu, Jiexin McAleese, Callum Couture, Pierre Sharpe, Matthew K. Smith, Richard Peng, Nianhua England, Jonathan Tsang, Shik Chi Edman Zhao, Yunlong Mai, Liqiang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China Wolfson Catalysis Centre Department of Chemistry University of Oxford OX1 3QR United Kingdom School of Materials Science and Engineering Zhejiang University Hangzhou310027 China UK National Ion Beam Centre University of Surrey Guildford SurreyGU2 7XH United Kingdom Dyson School of Design Engineering Imperial College London LondonSW7 2BX United Kingdom National Physical Laboratory Teddington MiddlesexTW11 0LW United Kingdom

The discovery of Mn-Ca complex in photosystem II stimulates research of manganese-based catalysts for oxygen evolution reaction (OER). However, conventional chemical strategies face challenges in regulating the four electron-proton processes of OER. Herein, we investigate alpha-manganese dioxide (α-MnO2) with typical MnIV-O-MnIII-HxO motifs as a model for adjusting proton coupling. We reveal that pre-equilibrium proton-coupled redox transition provides an adjustable energy profile for OER, paving the way for in-situ enhancing proton coupling through a new "reagent"— external electric field. Based on the α-MnO2 single-nanowire device, gate voltage induces a 6-fold increase in OER current density at 1.7 V versus reversible hydrogen electrode. Moreover, the proof-of-principle external electric field-assisted flow cell for water splitting demonstrates a 34% increase in current density and a 44.7 mW/cm2 increase in net output power. These findings indicate an in-depth understanding of the role of proton-incorporated redox transition and develop practical approach for high-efficiency electrocatalysis. © 2024, CC BY.

关键词： Oxygen

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Effects of crystallinity and surface modification of calcium phosphate nanoparticles on the loading and release of tetracycline hydro-chloride

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IOP Conference Series: materials Science and Engineering 2017年第1期182卷

作者： Huaizhi Zhang Dong Yan Sriyani Menike Korale Gedara Sajith Sudeepa Fernando Dingiri Marakkalage Jothirathna Gamage Kasun Methlal YingChao Han HongLian Dai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China Biomedical Materials and Engineering Research Center of Hubei Province Wuhan University of Technology Wuhan 430070 China Faculty of Applied Sciences Sabaragamuwa University of Sri Lanka Belihuloya 70140 Sri Lanka

The influences of crystallinity and surface modification of calcium phosphate nanoparticles (nCaP) on their drug loading capacity and drug release profile were studied in the present investigation. The CaP nanoparticles with different crystallinity were prepared by precipitation method under different temperatures. CaP nanoparticles with lower crystallinity exhibited higher drug loading capacity. The samples were characterized by XRD, FT-IR, SEM, TEM and BET surface area analyzer respectively. The drug loading capacity of nCaP was evaluated to tetracycline hydro-chloride (TCH). The internalization of TCH loaded nCaP in cancer cell was observed by florescence microscope. nCaP could be stabilized and dispersed in aqueous solution by poly(acrylic acid) surface modification agent, leading to enhanced drug loading capacity. The drug release was conducted in different pH environment and the experimental data proved that nCaP were pH sensitive drug carrier, suggesting that nCaP could achieve the controlled drug release in intracellular acidic environment. Furthermore, nCaP with higher crystallinity showed lower drug release rate than that of lower crystallinity, indicating that the drug release profile could be adjusted by crystallinity of nCaP. nCaP with adjustable drug loading and release properties are promising candidate as drug carrier for disease treatment.

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Eutectic Electrolyte with Unique Solvation Structure for High-Performance Zinc-Ion Batteries

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Angewandte Chemie 2022年第31期134卷

作者： Lishan Geng Dr. Jiashen Meng Dr. Xuanpeng Wang Dr. Chunhua Han Kang Han Zhitong Xiao Meng Huang Peng Xu Dr. Lei Zhang Prof. Liang Zhou Prof. Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 P. R. China Department of Physical Science & Technology School of Science Wuhan University of Technology Wuhan 430070 P. R. China Hubei Longzhong Laboratory Xiangyang 441000 P. R. Hubei China

Zinc-ion batteries (ZIB) present great potential in energy storage due to low cost and high safety. However, the poor stability, dendrite growth, and narrow electrochemical window limit their practical application. Herein, we develop a new eutectic electrolyte consisting of ethylene glycol (EG) and ZnCl 2 for dendrite-free and long-lifespan ZIBs. The EG molecules participate in the Zn 2+ solvation via coordination and hydrogen-bond interactions. Optimizing the ZnCl 2 /EG molar ratio (1 : 4) can strengthen intermolecular interactions to form [ZnCl(EG)] + and [ZnCl(EG) 2 ] + cations. The dissociation–reduction of these complex cations enables the formation of a Cl-rich organic–inorganic hybrid solid electrolyte interphase film on a Zn anode, realizing highly reversible Zn plating/stripping with long-term stability of ≈3200 h. Furthermore, the polyaniline||Zn cell manifests decent cycling performance with ≈78 % capacity retention after 10 000 cycles, and the assembled pouch cell demonstrates high safety and stable capacity. This work opens an avenue for developing eutectic electrolytes for high-safety and practical ZIBs.

关键词： Deep Eutectic Solvents Dendrite-Free Zn Anodes Eutectic Electrolytes Solvation Structure Zinc-Ion Batteries

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Effect of SiC Content on the Microstructure and Properties of Zr2Al4C5/SiC Composites in situ Fabricated by Spark Plasma Sintering

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IOP Conference Series: materials Science and Engineering 2019年第1期678卷

作者： Qilong Guo Jing Wang Junjun Pei Junguo Li Lianmeng Zhang Key Laboratory of New Building Materials and Building Energy Efficiency of Gansu Province School of Civil Engineering Northwest Minzu University Lanzhou 730124 P. R. China State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 P. R. China

Zr2Al4C5/SiC composite ceramics were successfully fabricated from the powder mixture of Zr, Al, C and SiC by spark plasma sintering method. The composition-dependent densification, phase evolution, microstructure and mechanical properties of the composite ceramics were studied. With increasing the SiC content in the starting powder mixture, the densification behavior of sintered samples was promoted. It is found that the as-sintered products are mainly composed of Zr2Al4C5 matrix and SiC reinforcement, and the fine SiC particles tend to disperse on the matrix grain boundaries. Besides, the addition of SiC particles can evidently hinder the coarsening of Zr2Al4C5 grains. Both the Vickers hardness and Young's modulus of composites ceramics gradually increase as increasing the SiC content. The fracture toughness of the composites decreases first then increases with the increase in the SiC and the Zr2Al4C5/30vol%SiC sample possesses the maximum value of 4.4MPam1/2.

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Influence of the content of ZrxAlyCz on properties of ZrB2-ZrxAlyCz Composite Ceramics Fabricated by Spark Plasma Sintering

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IOP Conference Series: materials Science and Engineering 2019年第1期678卷

作者： Qilong Guo Jianli Pang Jizhong Gan LI Junguo Lianmeng Zhang Key Laboratory of New Building Materials and Building Energy Efficiency of Gansu Province School of Civil Engineering Northwest Minzu University Lanzhou 730124 P. R. China State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 P. R. China

ZrB2/ZrxAlyCz composite ceramics with different volume contents of ZrxAlyCz were fabricated by the spark plasma sintering. The sintering behavior, microstructure, mechanical properties and oxidation resistance were studied. The results indicated that sinterability of the composites was remarkably improved by addition of ZrxAlyCz compared to the single-phase ZrB2 ceramic. As the content of ZrxAlyCz increased, both the Vickers hardness and Young's modulus of the composites first increased and then decreased. The fracture toughness of the ZrB2-40vol% ZrxAlyCz composite was 3.56 MPam1/2, which increased by approximately 70% compared to the monolithic ZrB2 ceramic. As increasing the content of ZrxAlyCz, the oxidation resistance of composite ceramics was obviously enhanced. The oxidation-resulted increase in weight of composite ceramic with 20vol% ZrxAlyCz was the best performance in oxidation resistance at 1500 °C. The high-temperature oxidation resulted in dense and stable Al-B-O glass due to adding ZrxAlyCz into the composite ceramics, those resulting products effectively blocked the oxygen atoms entering into the ceramic matrix.

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Ammonium Ion Batteries: material, Electrochemistry and Strategy

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Angewandte Chemie 2023年第23期135卷

作者： Runtian Zheng Yuhang Li Dr. Haoxiang Yu Xikun Zhang Dr. Ding Yang Dr. Lei Yan Prof. Yu Li Prof. Jie Shu Prof. Bao-Lian Su School of Materials Science and Chemical Engineering Ningbo University Ningbo 315211 Zhejiang China Laboratory of Inorganic Materials Chemistry (CMI) University of Namur 61 rue de Bruxelles 5000 Namur Belgium State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China

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