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Homogeneous void nucleation in the presence of supersaturated vacancies and interstitials

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Journal of materiomics 2024年第5期10卷 1147-1159页

作者： Lin shao Accelerator Laboratory Department of Nuclear EngineeringTexas A&M UniversityCollege StationTX77843USA

Homogeneous void nucleation in metals containing arbitrary vacancies and interstitials has been reexamined,with corrections made to the original work by Katz and *** void size distributions derived previously missed an exponential modification function with void size as the *** a result,void nucleation under a given vacancy supersaturation ratio is underestimated by orders of *** second improvement arises from the accuracy in calculating the vacancy arrival rate to a *** present work proposes establishing a direct relationship between the vacancy arrival rate and the available self-diffusion *** these corrections and improvements,void nucleation in pure Fe is calculated as an example,and an analytic fitting formula is *** required vacancy supersaturation ratio and interstitial-to-vacancy flux ratio for void nucleation calculations can be easily obtained from an analytical solution of rate theory calculations,in which dislocation density and displacements per atom(dpa)rate are adjustable ***,the nucleation rate calculation can be incorporated into rate theory calculations considering evolving dislocation densities,which leads to time-dependent void nucleation.

关键词： Void nucleation Voids Irradiation Swelling Defects

An m-VCUT level set-based data-driven model of microstructures and optimization of two-scale structures

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Frontiers of mechanical Engineering 2024年第4期19卷 73-86页

作者： minjie shao Tielin SHI Qi XIA State Key Laboratory of Intelligent manufacturing Equipment and Technology Huazhong University of Science and TechnologyWuhan 430074China

The optimization of two-scale structures can adapt to the different needs of materials in various regions by reasonably arranging different microstructures at the macro scale,thereby considerably improving structural ***,a multiple variable cutting(m-VCUT)level set-based data-driven model of microstructures is presented,and a method based on this model is proposed for the optimal design of two-scale *** geometry of the microstructure is described using the m-VCUT level set method,and the effective mechanical properties of microstructures are computed by the homogenization ***,a database of microstructures containing their geometric and mechanical parameters is *** two sets of parameters are adopted as input and output datasets,and a mapping relationship between the two datasets is established to build the data-driven model of *** the optimization of two-scale structures,the data-driven model is used for macroscale finite element and sensitivity *** efficiency of the analysis and optimization of two-scale structures is improved because the computational costs of invoking such a data-driven model are much smaller than those of homogenization.

关键词： two-scale structure structural optimization m-VCUT level set homogenization radial basis function data-driven

Strain Gradient Finite Element Formulation of Flexoelectricity in Ferroelectric material Based on Phase-Field method

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Acta mechanica Solida Sinica 2024年第4期37卷 570-579页

作者： Shuai Wang Hengchang Su min Yi Li-Hua shao National Key Laboratory of Strength and Structural Integrity Institute of Solid MechanicsSchool of Aeronautic Science and EngineeringBeihang UniversityBeijing100191People’s Republic of China State Key Laboratory of mechanics and Control for Aerospace Structures and Institute for Frontier Science and Key Laboratory for Intelligent Nano materials and Devices of ministry of Education and College of Aerospace Engineering Nanjing University of Aeronautics and AstronauticsNanjing210016People’s Republic of China

Flexoelectricity is a two-way coupling effect between the strain gradient and electric field that exists in all dielectrics,regardless of point group ***,the high-order derivatives of displacements involved in the strain gradient pose challenges in solving electromechanical coupling problems incorporating the flexoelectric *** this study,we formulate a phase-field model for ferroelectric materials considering the flexoelectric effect.A four-node quadrilateral element with 20 degrees of freedom is constructed without introducing high-order shape *** microstructure evolution of domains is described by an independent order parameter,namely the spontaneous polarization governed by the time-dependent Ginzburg–Landau *** model is developed based on a thermodynamic framework,in which a set of microforces is introduced to construct the constitutive relation and evolution *** the flexoelectric part of electric enthalpy,the strain gradient is determined by interpolating the mechanical strain at the node via the values of Gaussian integration points in the isoparametric *** model is shown to be capable of reproducing the classic analytical solution of dielectric materials incorporating the flexoelectric *** model is verified by duplicating some typical phenomena in flexoelectricity in cylindrical tubes and truncated pyramids.A comparison is made between the polarization distribution in dielectrics and *** model can reproduce the solution to the boundary value problem of the cylindrical flexoelectric tube,and demonstrate domain twisting at domain walls in ferroelectrics considering the flexoelectric effect.

关键词： Flexoelectricity Phase-field method Ferroelectrics Domain configuration

Deposition of thin TiO_(2)films on fluorophlogopite particle surface by CVD in fluidized bed reactor to prepare silver pearlescent pigments

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Particuology 2024年第6期89卷 88-98页

作者： ming Liu Guoqiang shao Pengpeng Lv Jun Li Qingshan Zhu State Key Laboratory of multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China

Two critical parameters:Glossiness and chromaticity space of pearlescent pigments were evaluated based on crystallinity and grain *** the roughness and the vertical distance evolution along the surface of deposited TiO_(2)film are affected by the *** optimal crystallinity of TiO_(2)was deposited at the temperature of 350℃.The TiCl4 concentration effectively changed the grain ***,the high flow rate of fluidizing gas and optimal gas–solid ratio(m^(3)/(kg h))restricted the change of TiCl_(4)concentrations in fluidized bed *** this case,the grain size of the deposited TiO_(2)film was about 55 *** on the grain size,the color of pearlescent pigments was adjusted by controlling the film thickness based on TiO_(2)***,the silver pearlescent pigment with high glossiness was prepared by chemical vapor deposition method in a fluidized bed reactor.

关键词： Fluidized bed chemical vapor deposition TiO_(2)film deposition Pearlescent pigment Free powder restrain Crystal growth

Viscoelastic stress change from the 1931 m_(w)7.8 Fuyun earthquake and its impacts on seismic activity around the Altai mountains

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Geodesy and Geodynamics 2024年第4期15卷 326-337页

作者： Yali shao jiankun He Xinguo Wang Youjia Zhao Key Laboratory of Tibetan Plateau Earth System Environment and ResourcesInstitute of Tibetan Plateau ResearchChinese Academy of SciencesBeijing 100101China University of Chinese Academy of Sciences Beijing 100049China

The 1931 m_(w)7.8 Fuyun earthquake occurred around the Altai mountains, an intracontinental deformation belt with limited active strain-rate accumulation. To explore whether seismic activity in this deformation belt was affected by stress interaction among different active faults, we calculate the Coulomb failure stress change(ΔCFS) induced by the Fuyun earthquake due to coseismic deformation of the elastic crust and postseismic viscoelastic relaxation of the lower crust and upper mantle. Numerical results show that the total ΔCFS at a 10-km depth produced by the Fuyun earthquake attains approximately 0.015-0.134 bar near the epicenter, and just before the occurrence of the 2003 m_(w)7.2 Chuya earthquake, which distances about 400 km away from the Fuyun earthquake. Among the increased ΔCFS,viscoelastic relaxation from 1931 to 2003 contributes to approximately 0.014-0.131 bar, accounting for>90% of the total ΔCFS. more importantly, we find that for the recorded seismicity in the region with a radius of about 270 km to the Fuyun earthquake from 1970 to 2018, the percentage of earthquakes that fall in positive lobes of ΔCFS resolved on the NNW-SSE Fuyun strike-slip fault, on the NWW-SEE Irtysh strike-slip fault, and on the NW-SE Kurti reverse fault is up to 67.22%-91.36%. Therefore, the predictedΔCFS suggests that the impact of the 1931 m_(w)7.8 Fuyun earthquake on seismic activity around the Altai mountains is still significant as to hasten occurrence of the 2003 m_(w)7.2 Chuya earthquake at a relatively far distance and to trigger its aftershocks in the near-field even after several decades of the mainshock.

关键词： Altai mountains Fuyunearthquake Coulomb failure stress change Viscoelasticrelaxation Seismic activity

Co-electrolysis of ethylene glycol and carbon dioxide for formate synthesis

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Science China Chemistry 2024年第5期67卷 1539-1544页

作者： Dongfeng Du Fusong Kang Shiru Yang Bin shao Jingshan Luo Institute of Photoelectronic Thin Film Devices and Technology State Key Laboratory of Photovoltaic Materials and CellsKey Laboratory of Photoelectronic Thin Film Devices and Technology of TianjinMinistry of Education Engineering Research Center of Thin Film Photoelectronic TechnologyNankai UniversityTianjin 300350China Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China Frontiers Science Center for New Organic matter Nankai UniversityTianjin 300071China College of Electronic Information and Optical Engineering Tianjin Key Laboratory of Optoelectronic Sensor and Sensing Network TechnologyNankai UniversityTianjin 300350China

Co-electrolysis of waste plastics and carbon dioxide(CO_(2)) into value-added chemicals or fuels is a promising pathway for a sustainable society, but efficient and selective conversion remains a challenge. Herein, a gold-mediated nickel hydroxide(Au/Ni(OH)_(2)) is developed to oxidize waste plastic-derived ethylene glycol(EG) into formate. In-situ electrochemical experiments and theoretical results reveal that the introduction of Au favors the redox properties and EG adsorption behavior of Ni(OH)_(2). The Au/Ni(OH)_(2) catalyst shows an excellent formate selectivity of >90% at high current densities of above 100 m A cm^(-2). When coupled with sputtered bismuth(Bi) cathode for CO_(2) reduction, a high formate Faradic efficiency(FE) of 188.2% at 200 m A cm^(-2)and a good formate productivity of 7.33 mmol m^(-2)s^(-1)at 10 A are obtained in a flow cell and a zero-gap membrane electrode assembly(mEA) cell, respectively. This work demonstrates a promising strategy to convert waste plastics and CO_(2) into valuable products.

关键词： waste plastic upcycling ethylene glycol oxidation carbon dioxide reduction electrocatalysis formate synthesis

Oral delivery of ferroptosis inducers for effective treatment of hepatic fibrosis

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Nano Research 2024年第8期17卷 7621-7630页

作者： Yinglan Yu Shunlong Zhang Yongfeng Xu Hao shao Lei Luo College of Pharmaceutical Sciences Southwest UniversityChongqing 400715China

Liver fibrosis is characterized by the excessive accumulation of extracellular matrix(ECm),which is primarily produced by activated hepatic stellate cells(HSCs).However,effective therapies for hepatic fibrosis are currently *** is a promising anti-fibrotic drug candidate,but its clinical application is hindered by limited ***,we present a novel oral delivery platform that enhances the HSCs uptake of artesunate and induces potent *** platform is vitamin Adecorated nanoparticles encapsulated with *** multifunctional ligand vitamin A interacts with retinol-binding proteins that are highly expressed on the intestinal epithelium to promote transcytosis,highly expressed on the surface of HSCs but lowly expressed in normal *** oral administration,this oral delivery platform enhances transepithelial transport in the intestine,improves drug accumulation in the liver,and continuously increases HSCs uptake of *** drug release in HSCs,artesunate depletes glutathione peroxidase 4 and glutathione,effectively initiating *** vivo experiments demonstrate that this strategy induces pronounced ferroptosis,efficiently relieving liver *** work provides a proof-ofconcept demonstration that an oral delivery strategy for ferroptosis inducers may be beneficial for liver fibrosis treatment.

关键词： liver fibrosis hepatic stellate cells oral delivery intestinal epithelium ferroptosis

Crystalline-amorphous m@mN_x(m=Co,Fe,Ni)encapsulated in nitrogen-doped carbon for enhanced efficient and durable hydrogen evolution reaction

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Rare metals 2024年第4期43卷 1547-1556页

作者： Yang Yang Xiao-Chuan Duan shao-Hui Guo Xian-ming Zhang College of materials Science and Engineering College of ChemistryKey Laboratory of Interface Science and Engineering in Advanced MaterialsTaiyuan University of TechnologyYuci030600China

Developing earth-abundant electrocatalysts for hydrogen evolution reaction(HER)is important for the sustainable energy ***,efficient and stable heterocatalysts consisting of crystalline-amorphous m@mN_(x)(m=Co,Fe,Ni)encapsulated in N-doped carbon layers supported with N-doped graphene sheets(denoted as m@mN_(x)@NC-NG)are synthesized by facile hydrothermal reaction and nitridation *** the nitriding process,metal ions in m(tzbc)_2(H_(2)O)_4(tzbc=4-(1H-1,2,4-triazol-1-yl)benzoic acid)complexes are reduced to crystalline m cores,accompanied by the formation of amorphous mN_(x)shells;the tzbc ligands are insitu carbonized to form outermost N-doped carbon(NC)layers that connect with inner mN_(x)via m-N-C motifs inherited from the complex precursors and inhibit the transition of mN_(x)from amorphous to crystalline *** Co@CoN_(x)@NC-NG catalyst exhibits excellent HER activity with small overpotentials of 45 and 64 mV at a cathode current density of 10 mA·cm^(-2)and low Tafel slopes of 40 and 85 mV·dec^(-1)in 0.5 mol·L^(-1)H_(2)SO_4 and1.0 mol·L^(-1)KOH electrolytes,*** Co@CoN_(x)@NC-NG retains 97%of the initial overpotential after 100,000 s in both acidic and alkaline *** outstanding HER performance originates from the crystalline-amorphous Co@CoN_(x)that redistributes electrons around the heterointerfaces,facilitating the conversion process of H^(+)/H_(2)O to hydrogen and thereby promoting HER *** outermost NC layers serve as the armor of Co@CoN_(x),and graphene nanosheets act as carriers of egg-like Co@CoN_(x)@NC and conduction paths for electron shuttles,ensuring stable and continuous electrocatalytic hydrogen production.

关键词： Hydrogen evolution reaction Electrocatalysts Iron group metals Heterojunction Crystalline-amorphous structure

Study on the performance of lightweight roadway wall thermal insulation coating containing EP-GHB mixed ceramsite

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Building Simulation 2024年第5期17卷 785-798页

作者： Yongliang Zhang Shili Yin Hongwei mu Xilong Zhang Qinglei Tan Bing shao Key Lab of Industrial Fluid Energy Conservation and Pollution Control Ministry of EducationQingdao University of TechnologyQingdaoShandong266520China College of mechanical and Automotive Engineering Qingdao University of TechnologyQingdaoShandong266520China

As the mining depth increases,the problem of high-temperature thermal damage mainly caused by heat dissipation of surrounding rock is becoming more and more *** is very important to solve the environmental problem of mine heat damage to improve the efficiency of mineral resource exploitation and protect the physical and mental health of *** can apply thermal insulation coating on the walls of mine roadways as a means of implementing active heat *** this paper,expanded perlite(EP)and glazed hollow bead(GHB)are used as the main thermal insulation materials,ceramsite and sand as aggregate,plus glass fiber and sodium dodecyl sulfate to develop a new lightweight composite thermal insulation coating through orthogonal experiment *** to the plate heat flow meter method and mechanical test method,the thermal insulation and mechanical properties of EP-GHB mixed ceramsite coating were studied by making specimens with different parameter ratios,and according to the analysis of the experimental results,the optimal mix ratio of the coating was *** addition,Fluent numerical simulation software was used to establish the roadway model,and the thermal insulation effect of the coating in the roadway under different working conditions was *** results show that the thermal conductivity of the prepared composite thermal insulation coating material is only 8.5% of that of ordinary cement mortar,and the optimal thickness of adding thermal insulation coating is 0.2 m,which can reduce the outlet air temperature of the roadway with a length of 1000 m by 4.87 K at this *** thermal insulation coating developed in this study has the advantages of simple technology and strong practicability,and has certain popularization and application value in mine heat damage control.

关键词： high-temperature mine thermal insulation coating orthogonal experimental optimal fit ratio numerical simulation