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Structure stability, electronic property and voltage profile of LiFe_(1-n)NnP_(1-m)M_(m)O_(4) olivine cathode material

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Rare Metals 2021年第12期40卷 3512-3519页

作者： Zhi-Hong Cui Xue-Feng Lu jian-hua luo Xin Guo Hong-Tao Xue Fu-Ling Tang State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal Department of Materials Science and EngineeringLanzhou University of TechnologyLanzhou 730050China

First-principles computational studies under density functional theory(DFT) framework were used to investigate the structural stability, conductivity and voltage profile of LiFe_(1-n)NnP_(1-m)M_(m)O_(4)(N, M = Si or S) electrode materials. It is found that the Li FeP_(7/8)Si_(1/8)O_(4) system has the most stable structure. After doping, the band gap values of the systems decrease gradually, and LiFe_(7/8)S_(1/8)PO_(4) system has a minimum band gap of 1.553 e V, attributed to the hybridization of the Fe-d and S-p orbital electrons. The Li Fe P7/8 S1/8 O4 system demonstrates the characteristic of n-type semiconductor, and other doping systems have the feature of p-type semiconductor. Charge density difference maps show that the covalent property of Si-O bond is enhanced in the Li FeP_(7/8)Si_(1/8)O_(4) system. The average distance of Li and O atoms in the S doping systems increases from 0.21026 to 0.21486 and 0.21129 nm, respectively,indicating that doping broadens significantly the channel of Li ion de-intercalation in LiFe_(7/8)S_(1/8)PO_(4) and LiFeP_(7/8)S_(1/8)O_(4). Additionally, the results of lithium intercalation potential imply that the voltages of the doping systems fallinto the range of 2.23-2.86 V.

关键词： Energy storage materials First principles Battery cathode LiFePO_(4) Doping Electronic properties

A Novel 3D Gait Model for Subject Identification Robust against Carrying and Dressing Variations

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Computers, Materials & Continua 2024年第7期80卷 235-261页

作者： jian luo Bo Xu Tardi Tjahjadi jian Yi College of Information Science and Engineering Hunan Normal UniversityChangsha410000China School of Engineering University of WarwickCoventryCV47ALUK

Subject identification via the subject’s gait is challenging due to variations in the subject’s carrying and dressing conditions in real-life *** paper proposes a novel targeted 3-dimensional(3D)gait model(3DGait)represented by a set of interpretable 3DGait descriptors based on a 3D parametric body *** 3DGait descriptors are utilised as invariant gait features in the 3DGait recognition method to address object carrying and *** 3DGait recognitionmethod involves 2-dimensional(2D)to 3DGaitdata learningbasedon3Dvirtual samples,a semantic gait parameter estimation Long Short Time Memory(LSTM)network(3D-SGPE-LSTM),a feature fusion deep model based on a multi-set canonical correlation analysis,and SoftMax recognition ***,a sensory experiment based on 3D body shape and pose deformation with 3D virtual dressing is used to fit 3DGait onto the given 2D gait images.3Dinterpretable semantic parameters control the 3D morphing and dressing *** degree measurement determines the semantic descriptors of 2D gait images of subjects with various shapes,poses and ***,using the 2D gait images as input and the subjects’corresponding 3D semantic descriptors as output,an end-to-end 3D-SGPE-LSTM is constructed and ***,body shape,pose and external gait factors(3D-eFactors)are estimated using the 3D-SGPE-LSTM model to create a set of interpretable gait descriptors to represent the 3DGait Model,i.e.,3D intrinsic semantic shape descriptor(3DShape);3D skeleton-based gait pose descriptor(3D-Pose)and 3D dressing with other ***,the 3D-Shape and 3D-Pose descriptors are coupled to a unified pattern space by learning prior knowledge from the *** research on CASIA B,CMU MoBo,TUM GAID and GPJATK databases shows that 3DGait is robust against object carrying and dressing variations,especially under multi-cross variations.

关键词： Gait recognition human identification three-dimensional gait canonical correlation analysis

AWells-Riley/based COVID-19 infectiousrisk assessment model combining both short rangeandroom scale effects

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Building Simulation 2024年第1期17卷 93-111页

作者： Yinshuai Feng Yifan Fan Xiaoyu luo jian Ge College of Civil Engineering and Architecture Zhejiang UniversityHangzhouChina Center for Balance Architecture Zhejiang UniversityHangzhouChina International Research Center for Green Building and Low-Carbon City International CampusZhejiang UniversityHainingChina

There is growing evidence of the high transmission potential of COVID-19 through virus-laden *** aerosols are inhaled in various concentrations,an overall assessment of transmission risks at different indoor scales is ***,a comprehensive risk assessment method that evaluates the direct link between short-range and room-scale zones is stl *** this paper,a risk assessment model combining both short-range and room-scale effects is developed to obtain effective reproduction number in confined indoor environments,called Turbulent Jet Wells Riley(TJWR)*** with the viral load data and aerosol generation data of different human respiratory activities,the Monte Carlo simulation method is applied to calculate the quanta emission rate,which further provides the input parameters of the TJWR *** known outbreaks(Hangzhou banquet hall X,Guangzhou restaurant Y,and Hong Kong restaurant Z,China)are chosen to validate the TJWR *** show that the TJWR model is more efficient than the original Wells-Riley *** average relative error of the TJWR model ranges between 9%and 44%,while for the Wells-Riley model,it ranges between 57%and 78%.The TJWR model also proves that infection risk assessments using the well-mixed assumption can systematically underestimate the transmission risk for those close to the ***,there is a significant positive linear correlation between the total number of exposed individuals at the short-range and the effective reproduction *** newly developed TJWR model has great potential for rapid and real-time overall airborne transmission risk assessment in buildings and cities.

关键词： COVID-19 airborne transmission infection risk Wells-Riley model Monte Carlo simulation

A new liquid membrane diffusion model for characterizing the adsorption kinetics of europium by using a continuous measurement of adsorption platform

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Nuclear Science and Techniques 2024年第1期35卷 59-72页

作者： Hao-Qi Yu Tao Yu jian-hua Ye State Key Laboratory of Nuclear Resources and Environment East China University of TechnologyNanchang 330013China CGN Cangnan Nuclear Power Co. Ltd.Cangnan 325800China jiangxi Province Key Laboratory of Polymer Micro/Nano Manufacturing and Devices East China University of TechnologyNanchang 330013China School of Nuclear Science and Engineering East China University of TechnologyNanchang 330013China

To explore the kinetic adsorption under continuous and nonequilibrium states, an integration of continuous measurement and adsorption platform kinetics method was proposed, which was initially called the ICM-AP kinetics method, and a corresponding kinetic adsorption experimental method was developed. Adsorption experiments of europium(Eu) on Ca-bentonite,Na-bentonite, and the D231 cation exchange resin were performed using the ICM-AP kinetics method and continuous measurements. Because the kinetic experimental results observed in this study were different from those of traditional batch adsorption data, pseudo-first-order or pseudo-second-order kinetic models were unsuitable for fitting the experimental ***, a liquid membrane diffusion(LMD) model was developed based on the assumption of simultaneous adsorption/desorption to discuss the mechanism of kinetic adsorption. The kinetic adsorption mechanism was also studied by using *** results indicated that the proposed adsorption model can fit the experimental data more suitably, and the adsorption/desorption behaviors of Eu on bentonite and the D231 resin were simultaneously observed, suggesting that the adsorption kinetics of Eu(Ⅲ) was mainly dominated by hydrated Eu(Ⅲ) ions on the liquid membrane.

关键词： ICM-AP method LMD model Adsorption mechanism Eu(Ⅲ)

Hydrophobic tag tethering degrader as a promising paradigm of protein degradation:Past,present and future perspectives

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Chinese Chemical Letters 2024年第8期35卷 187-200页

作者： Si Ha Jiacheng Zhu hua Xiang Guoshun luo State Key Laboratory of Natural Medicines and Department of Medicinal Chemistry China Pharmaceutical UniversityNanjing 211198China

Small molecule inhibitors have dominated the pharmaceutical landscape for a long time as the primary therapeutic paradigm targeting pathogenic ***,their efficacy heavily relies on the amino acid composition and spatial constitution of proteins,rendering them susceptible to drug resistance and failing to target undruggable *** recent years,the advent of targeted protein degradation(TPD)technology has captured substantial attention from both industry and *** an event-driven mode,TPD offers a novel approach to eliminate pathogenic proteins by promoting their degrada-tion,thus circumventing the limitations associated with traditional small molecule ***-bic tag tethering degrader(HyTTD)technology represents one such TPD approach that is currently in the burgeoning *** employ endogenous protein degradation systems to induce the degrada-tion of target proteins through the proteasome pathway,which displays significant potential for medical *** this review,we provide a comprehensive overview of the development history and the reported mechanism of action of ***,we delve into the physiological roles,structure-activity re-lationships,and medical implications of HyTTDs targeting various disease-associated ***,we propose insights into the challenges that necessitate resolution for the successful development of HyTTDs,with the ultimate goal of initiating a new age of clinical treatment leveraging the immense po-tential of HyTTDs.

关键词： Targeted protein degradation(TPD) Hydrophobic tag Degrader Hydrophobic tag tethering degrader(HyTTD) Targeted therapy

Electrolyte effect on electrochemical behaviors of manganese fluoride material for aqueous asymmetric and symmetric supercapacitors

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Rare Metals 2024年第3期43卷 1048-1061页

作者： Zheng-hua He jian-Fei Gao Ling-Bin Kong State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals Lanzhou University of TechnologyLanzhou730050China School of Materials Science and Engineering Lanzhou University of TechnologyLanzhou730050China

Exploring wide voltage window materials is not only an available measure to enhance the energy density of hybrid supercapacitor(HSCs),but also avoids the dynamic mismatch caused by different energy storage mechanisms of two electrodes in assembled symmetrical ***,there are few reports about the wide potential window materials except Bi_(2)O_(3)and VO_(2).Therefore,the MnF_(2)synthesized by solvothermal reaction was served as the electrode for *** MnF_(2)exhibited electrochemical activity in alkaline solution in three-electrode system,especially with a wide potential window from-0.8 to+0.5 V in 2 mol·L^(-1)***,the assembled MnF_(2)//MnF_(2)symmetrical HSC had a potential window of 1.5 V,and it exhibited outstanding long-cycle ***,when MnF_(2)was taken as the negative and positive respectively,the potential windows of asymmetric devices CoMoO_(4)//MnF_(2)and MnF_(2)//Activated Carbon(AC)could reach 1.3 and 1.45 V,respectively,showing excellent cycle *** work shows that MnF_(2)material has great research value in HSC,and provides a new research direction for developing high-performance devices.

关键词： Manganese fluoride Potential window Hybrid supercapacitors Electrochemical performance

Preparation of PVA/GO/h-BN Janus Film with High Thermal Conductivity and Excellent Flexibility via a Density Deposition Self-assembly Method

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Chinese Journal of Polymer Science 2024年第8期42卷 1217-1226页

作者： Fang-hua luo Zhi-Tao Dong Guo-hua Chen Chen Ma huai-Yuan Wang College of Chemistry and Chemical Engineering Northeast Petroleum UniversityDaqing 163318China College of Materials Science and Engineering Huaqiao UniversityXiamen 361000China School of Chemical Engineering and Technology and State Key Laboratory for Chemical Engineering Tianjin UniversityTianjin 300350China

Janus films with asymmetric physical/chemical properties have attracted con siderable attention due to their promising applications in personal thermal management,electronic skin s,sensors,actuators,***,traditional methods for fabricating Janus films conventionally need the assistance of an interface or auxiliary equipment,which are usually complex and ***,flexible poly(vinyl alcohol)(PVA)/graphene oxide(GO)/h-BN(recorded as PVA/GO/h-BN)Janus films with thermally,optically,and electrically anisotropic properties are fabricated by a simple density deposition self-assem bly method,which just utilizes the density difference between GO and h-BN during water *** results show that the two sides of the acquired Janus films have obvious asymmetric *** the original state of the PVA/GO/h-BN Janus films,the thermal conductivity of the GO side(10.06 W·m^(-1)·K^(-1))is generally lower than that of the h-BN side(10.48W·m^(-1)·K^(-1)).But after GO is reduced,the thermal conductivity of the rGO side reaches 12.17 W·m^(-1)·K^(-1),surpassing that of the h-BN *** addition,the relative reflectance of the h-BN side of Janus film is also significantly higher than that of the rGO side,and the su rface resistance difference between the two sides is about 4 orders of *** prepared PVA/GO/h-BN Janus films show great application potential in human thermal management,light conversion switches,and electronic *** study provides a simple and versatile strategy for fabricating Janus films with multifunctional(such as thermal,optical,and electrical)anisotropies.

关键词： Janus films PVA/GO/h-BN Density deposition self-assembly method

Regulation of Ti(C,N)deposition on hot surface of refractory in blast furnace hearth

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Journal of Iron and Steel Research International 2024年第6期31卷 1423-1435页

作者： jian Cao Cui Wang Jjan-liang Zhang Ke-xin Jiao Guo-hua Zhang State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China

Ti(C,N)concentration was found to be lower on the hearth sidewall of a blast furnace and increased gradually toward the bottom of the blast *** Ti(C,N)protective layer in a blast furnace is ***,the formation of a Ti(C,N)protective layer was promoted by studying the heterogeneous nucleation principle of titanium compounds on different substances and regulation measures for the deposition process of titanium compounds on refractories or *** lattice disregistry between the titanium compounds and the main components in the refractory or the main impurities in the protective layer was calculated using a two-dimensional disregistry equation to study the heterogeneous nucleation principle of titanium *** results revealed that in refractory materials,the heterogeneous nucleation of carbonitride is weak when C,SiO_(2),and Al_(2)O_(3) are used as heterogeneous nucleation substrates,and the heterogeneous nucleation of carbonitride is strong when TiO_(2) and SiC are used as heterogeneous nucleation *** nucleation phases,TiC,TiN,Ti(C_(0.3),N_(0.7)),and Ti(C_(0.5),N_(0.5))have similar heterogeneous nucleation ability in single component refractory,and the type of carbonitride has little effect on the lattice *** impurities in the protective layer as the substrate phases are not conducive to the heterogeneous nucleation of *** CaS was used as the substrate phase,the heterogeneous nucleation ability of carbonitride was the *** carbon and alumina were not conducive to the heterogeneous nucleation of carbonitride,but carbon was more unfavourable than alumina.

关键词： Ti(C,N) Lattice disregistry Lattice constant Heterogeneous nucleation Regulation measure

Impact of Local Climate Zones on the Urban Heat and Dry Islands in Beijing:Spatial Heterogeneity and Relative Contributions

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Journal of Meteorological Research 2024年第1期38卷 126-137页

作者： Zuofang ZHENG Fu luo Nana LI hua GAO Yuanjian YANG Institute of Urban Meteorology China Meteorological AdministrationBeijing 100089 School of Atmospheric Physics Nanjing University of Information Science&TechnologyNanjing 210044 Key Laboratory of Urban Meteorology China Meteorological AdministrationBeijing 100089

Based on the building height and density data on a 100-m resolution,hourly 2-m temperature and humidity data at83 automatic weather stations,and gridded local climate zone(LCZ)data on a 120-m resolution in urban Beijing in2020,this study first employs the semivariogram combined with building parameters to calculate spatial correlations and has identified an LCZ grid resolution of 500 m suitable for best usage of the available observation ***,how the spatially heterogeneous LCZs affect and contribute to the canopy urban heat island intensity(UHII)and urban dry island intensity(UDII)are quantitatively *** is found that UHII is high in winter and low in summer with a unimodal diurnal variation while UDI is low in winter but high in summer with a bimodal diurnal *** LCZ with compact mid-rise(open high-rise)buildings exhibits the highest UHII(UDII),followed by the compact high-rise(compact low-rise),while the LCZ of scattered trees presents both the lowest UHII and the lowest *** most significant difference in the UHII(UDII)among the nine LCZ types in the urban area of Beijing is2.62℃(1.1 g kg^(-1)).Area-weighted averaging analysis reveals that the open mid-rise LCZ is the most significant contributor to the UHII(UDII),immediately followed by compact mid-rise(open low-rise),with the least contribution from bare rock or paved(scattered trees).The results also indicate that beyond the intrinsic physical properties of the LCZs of a city,their area proportions cannot be overlooked in evaluating their impact on the UHI and *** quantitatively findings could help urban planners to create a livable urban climate and environment by adjusting the relevant land use.

关键词： local climate zone(LCZ) urban heat island(UHI) urban dry island(UDI) distribution pattern contribution rate Beijing