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Unveiling structural features and mechanical properties of amorphous Si_(2)BC_(3)N by density functional theory

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Journal of Materials Science & Technology 2023年第8期139卷 103-112页

作者： yuchen liu Yu Zhou Dechang Jia Zhihua Yang Daxin Li Bin liu Institute for Advanced Ceramics School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150080China School of Materials Science and Engineering Shanghai UniversityShanghai 200444China Zhejiang Laboratory Hangzhou 311100China

The atomic structural features and the mechanical properties of the Si_(2)BC_(3)N are investigated employ-ing ab-initio *** chemical bonding types and their proportion are *** tetrahedral and trigonal configurations,together with their nesting,are identified,which contribute to the flexibil-ity of structural *** Si-related coordination aggravates the inhomogeneous distribution of chemical bonding and weakens the tetrahedral *** accompanying polyhedral distortion is quanti-tatively reflected by the bond length and its deviation of polyhedron *** elastic moduli and the ideal strengths of Si_(2)BC_(3)N are found to be lower than SiC and Si_(3)N_(4),as a result of the weakening effect of coordination Si on tetrahedral units and the existence of easily distorted *** balance between tetrahedral and trigonal features through composition tailor is believed an effective way for the design of Si-B-C-N ceramics for structural applications.

关键词： Amorphous SiBCN Ab-initio calculations Atomic structure Electronic structure Mechanical properties

Discovery of orthorhombic perovskite oxides with low thermal conductivity by first-principles calculations

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Journal of Advanced Ceramics 2022年第10期11卷 1596-1603页

作者： yuchen liu Kaili CHU Yu ZHOU Yiran LI Wenxian LI Bin liu Institute for Advanced Ceramics School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150080China School of Materials Science and Engineering Shanghai UniversityShanghai 200444China School of Materials Science and Engineering University of New South WalesSydney 2052Australia

Orthorhombic perovskite oxides are studied by high-throughput first-principles calculations to explore new thermal barrier coating(TBC)materials with low thermal *** mechanical and thermal properties are predicted for 160 orthorhombic perovskite *** average atomic volume is identified as a possible predictor of the thermal conductivity for the perovskite oxides,as it has a good correlation with the thermal *** compounds,i.e.,LaTmO_(3),LaErO_(3),LaHoO_(3),SrCeO_(3),and SrPrO_(3),having thermal conductivities under 1 W·m^(-1)·K^(-1) and good damage tolerance,are proposed as novel TBC *** obtained data are expected to inspire the design of perovskite oxide-based TBC materials and also support their future functionality investigations.

关键词： first-principles calculations perovskite oxide thermal conductivity mechanical property

Broad temperature adaptability of vanadium redox flow battery-part4:Unraveling wide temperature promotion mechanism of bismuth for V^(2+)/V^(3+) couple

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Journal of Energy Chemistry 2018年第5期27卷 1333-1340页

作者： yuchen liu Feng Liang Yang Zhao Lihong Yu Le liu Jingyu Xi The State Key Laboratory of Refractories and Metallurgy School of Chemistry and Chemical Engineering Wuhan University of Science and Technology Institute of Green Chemistry and Energy Graduate School at Shenzhen Tsinghua University School of Applied Chemistry and Biological Technology Shenzhen Polytechnic

Vanadium flow battery （VFB） is a fast going and promising system for large-scale stationary energy stor- age. However, drawbacks such as low power density and narrow temperature window caused by poor catalytic activity of graphite felt （GF） electrodes limit its worldwide application. In this paper, bismuth, as a low-cost, no-toxic and high-activity electrocatalyst, is used to modify the thermal activated GF （TGF） via a facile hydrothermal method. Bismuth can effectively inhibit the side reaction of hydrogen evolution in wide temperature range, while promoting the V2＋/V3＋ redox reaction. As a result, the VFB assembled with Bi/TGF as negative electrode demonstrates outstanding rate performance under the current density up to 400 mAcm-2, as well as a long-term stability over 600 charging/discharging cycles at a high cur- rent density of 150mA cm-2. Moreover, it also shows excellent temperature adaptability from -10 ℃ to 50 ℃ and high durability for life test at the temperature of 50 ℃.

关键词： Vanadium flow battery Graphite felt electrode Bismuth Hydrogen evolution reaction Wide temperature

Potential role of Natural Herbal Tea as a healthy beverage in reducing the risk of liver cancer and chronic liver disease mortality

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Chinese Journal of Natural Medicines 2023年第12期21卷 884-885页

作者： HOU Xiaoying liu yuchen DU Hongzhi Wuhan Institute of Biomedical Sciences School of MedicineJianghan UniversityWuhan 430000China Cancer Institute School of MedicineJianghan UniversityWuhan 430000China School of Pharmacy Hubei University of Chinese MedicineWuhan 430000China Center of Traditional Chinese Medicine Modernization for Liver Diseases Hubei University of Chinese MedicineWuhan 430000China

Emerging epidemiological findings indicate a rising incidence of primary liver cancer,now a foremost contributor to cancer-related mortalities worldwide[1].Several factors play a pivotal role in liver cancer etiology,including infections from the Hepatitis B/C virus,a spectrum of liver diseases like alcoholic and nonalcoholic fatty liver diseases(NAFLD,ASH,and NASH),metabolic aberrations(e.g.,obesity,diabetes),exposure to hepatocarcinogens(e.g.,aflatoxin,aristolochic acid,and iron overload),and disruptions in gut *** liver diseases,encompassing conditions such as NAFLD and NASH,represent hepatic expressions of metabolic syndrome and bear the potential to culminate in liver cancer.

关键词： cancer diseases liver

Modeling the corrosion behavior of Ni-Cr-Mo-V high strength steel in the simulated deep sea environments using design of experiment and artificial neural network

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Journal of Materials Science & Technology 2019年第1期35卷 168-175页

作者： Qiangfei Hu yuchen liu Tao Zhang Shujiang Geng Fuhui Wang School of Metallurgy Northeastern University Corrosion and Protection Division Shenyang National Laboratory for Materials Science Northeastern University Laboratory for Corrosion and Protection Institute of Metal Research Chinese Academy of Sciences

Corrosion in complex coupling environments is an important issue in corrosion field, because it is difficult to take into account a large number of environment factors and their interactions. Design of Experiment(DOE) can present a methodology to deal with this difficulty, although DOE is not commonly spread in corrosion field. Thus, modeling corrosion of Ni-Cr-Mo-V steel in deep sea environment was performed in order to provide example demonstrating the advantage of DOE. In addition, an artificial neural network mapping using back-propagation method was developed for Ni-Cr-Mo-V steel such that the ANN model can be used to predict polarization curves under different complex sea environments without experimentation. Furthermore, roles of environment factors on corrosion of Ni-Cr-Mo-V steel in deep sea environment were discussed.

关键词： Ni-Cr-Mo-V steel Deep sea corrosion Design of experiment Artificial neural network

Measuring PmP travel times using teleseismic S-wave waveform data

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Earthquake Science 2020年第5期33卷 239-245页

作者： Lupei Zhu yuchen liu Department of Earth and Atmospheric Sciences Saint Louis UniversitySt.LouisMO 63108USA

Joint inversion for crustal velocity structure using only surface wave dispersion and receiver function data often suffers the non-unique solution problem due to lack of P wave velocity constraint in the *** we developed a method for measuring PmP travel time using teleseismic S wave *** major improvement by this method over the previous one-layer-crust search method is its use of a more realistic multi-layer-crust(MLC)velocity model in the study region based on available *** tests show that compared with the previous search method the MLC search method is faster and more reliable and *** limit of the MLC search method is the requirement of a multi-layer background model,thus this method might not be applicable in regions where the velocity structure is ***,our numerical tests show that the MLC search method is robust in the sense that small deviations of the background model from the true velocity model do not influence the results *** applied the MLC search method to data from a temporary linear array across the Wabash Valley Seismic Zone in the central *** obtained 157 PmP travel-time measurements that show lateral crustal structure variation in the *** measurements provide additional constraints in joint inversion for crustal velocity structure in this seismically active region.

关键词： PmP travel time teleseismic S-wave waveform crustal structure Wabash Valley Seismic Zone

Application of high-throughput first-principles calculations in ceramic innovation

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Journal of Materials Science & Technology 2021年第29期88卷 143-157页

作者： Bin liu Juanli Zhao yuchen liu Jianqi Xi Qian Li Huimin Xiang Yanchun Zhou School of Materials Science and Engineering Shanghai UniversityShanghai200444China Department of Materials Science and Engineering University of WisconsinMadisonWI53706USA Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Material&Processing TechnologyBeijing100076China

Recent technical progress in the industry has led to an urgent requirement on new materials with enhanced *** meet this multi-property requirement,the materials consisting of three and more elements have attracted increasing ***,facing to the nearly unknown huge multi-component materials system,the traditional trial and error method cannot provide sufficient data ***,an efficient material innovation strategy is *** first-principles calculation based on the density functional theory is a powerful tool for both the accurate prediction of material properties and the identification of its underlying thermodynamics and *** the same time,the advances of computational methods and computer calculation abilities that are orders of magnitude faster than before make the high throughput first-principles calculations *** present,the simulation-assisted material design has become a main branch in the material research field and a great many successes have been *** this article,the advances of the high throughput first-principles calculations are reviewed to show the achievements of the first-principles calculations and guide the future directions of its applications in ceramics.

关键词： First-principles calculations Ceramics Defect Dynamics Structure-property relationship

Low-frequency oscillation of train-network system considering traction power supply mode

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Railway Engineering Science 2024年第2期32卷 244-256页

作者： yuchen liu Xiaoqin Lyu Mingyuan Chang Qiqi Yang School of Electrical Engineering Southwest Jiaotong UniversityChengdu 610031China

The low-frequency oscillation(LFO)has occurred in the train-network system due to the introduction of the power electronics of the *** modeling and analyzing method in current researches based on electrified railway unilateral power supply system are not suitable for the LFO analysis in a bilateral power supply system,where the trains are supplied by two traction *** this work,based on the single-input and single-output impedance model of China CRH5 trains,the node admittance matrices of the train-network system both in unilateral and bilateral power supply modes are established,including three-phase power grid,traction transformers and traction *** the modal analysis is used to study the oscillation modes and propagation characteristics of the unilateral and bilateral power supply ***,the influence of the equivalent inductance of the power grid,the length of the transmission line,and the length of the traction network are analyzed on the critical oscillation mode of the bilateral power supply ***,the theoretical analysis results are verified by the time-domain simulation model in MATLAB/Simulink.

关键词： Low-frequency oscillation Train-network system Modal analysis Bilateral power supply Participation factor

The evolution of robotics:research and application progress of dental implant robotic systems

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International Journal of Oral Science 2024年第2期16卷 173-185页

作者： Chen liu yuchen liu Rui Xie Zhiwen Li Shizhu Bai Yimin Zhao State Key Laboratory of Oral&Maxillofacial Reconstruction and Regeneration Xi’anChina National Clinical Research Center for Oral Diseases Xi’anChina Shaanxi Key Laboratory of Stomatology Xi’anChina Digital Center School of StomatologyThe Fourth Military Medical UniversityXi’anChina

The use of robots to augment human capabilities and assist in work has long been an *** has been developing since the 1960s when the first industrial robot was *** technology has advanced,robotic-assisted surgery has shown numerous advantages,including more precision,efficiency,minimal invasiveness,and safety than is possible with conventional techniques,which are research hotspots and cutting-edge *** article reviewed the history of medical robot development and seminal research papers about current research *** the autonomous dental implant robotic system as an example,the advantages and prospects of medical robotic systems would be discussed which would provide a reference for future research.

关键词： robot robotic application