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An automated predictor for identifying transition states in solids

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npj Computational Materials 2020年第1期6卷 1530-1539页

作者： Ketao Yin Pengyue Gao xuecheng shao Bo Gao Hanyu Liu Jian Lv John S.Tse Yanchao Wang Yanming Ma International Center of Computational Method and Software&State Key Lab of Superhard Materials College of PhysicsJilin University130012 ChangchunChina School of Physics and Electronic Engineering Linyi University276005 LinyiChina Department of Physics and Engineering Physics University of SaskatchewanSaskatoonSK S7N 5E2Canada International Center of Future Science Jilin University130012 ChangchunChina

The minimum energy path(MEP)and transition state are two key parameters in the investigation of the mechanisms of chemical reactions and structural phase ***,determination of transition paths in solids is ***,we present an evolutionary method to search for the lowest energy path and the transition state for pressure-induced structural transformations in solids without any user input or prior knowledge of possible ***,the initial paths are chosen stochastically by connecting randomly selected atoms from the initial to final *** MEP of these trials paths were computed and ranked in order of their *** matrix particle swarm optimization algorithm is then used to generate improved transition *** procedure is repeated until the lowest energy MEP is *** method is validated by reproducing results of several known *** new method also successfully located the MEP for the direct low-temperature pressure induced transformation of face centered-cubic(FCC)silicon to the simple hexagonal(sh)phase and FCC lithium to a complex body centered-cubic cI16 high-pressure *** proposed method provides a convenient,robust,and reliable approach to identify the MEP of phase *** method is general and applicable to a variety of problems requiring the location of the transition state.

关键词： solids transition cubic

Mysterious Treasures in Begram (Ⅱ )

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China & The World Cultural Exchange 2019年第1期85卷 41-44页

作者： Zhu Chongyang shao xuecheng 不详

These extraordinary findings in archaeological excavation make Begram one of the most spectacular warehouses for commoditT trading along the Silk Road in the 1^st century.

关键词： extraordinary warehouses in the 1^st century

Mysterious Treasures in Begram (Ⅰ)

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China & The World Cultural Exchange 2018年第12期84卷 32-36页

作者： Zhu Chong yang shao xuecheng 不详

These extraordinary findings in archaeological excavation make Begram one of the most spectacular warehouses for commodity trading along the Silk Road in the 1st century.

关键词： Begram trading commodity extraordinary warehouses

Efficient potential-tuning strategy through p-type doping for designing cathodes with ultrahigh energy density

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National Science Review 2020年第11期7卷 1768-1775页

作者： Zhiqiang Wang Da Wang Zheyi Zou Tao Song Dixing Ni Zhenzhu Li xuecheng shao Wanjian Yin Yanchao Wang Wenwei Luo Musheng Wu Maxim Avdeev Bo Xu Siqi Shi Chuying Ouyang Liquan Chen Department of Physics Laboratory for Computational Materials PhysicsJiangxi Normal University State Key Laboratory of Advanced Special Steel School of Materials Science and Engineering Shanghai University Soochow Institute for Energy and Materials Innovations (SIEMIS) College of PhysicsOptoelectronics and Energy & Collaborative Innovation Center of Suzhou Nano Science and TechnologySoochow University State Key Lab of Superhard Materials College of Physics Jilin University Australian Nuclear Science and Technology Organisation School of Chemistry University of Sydney Materials Genome Institute Shanghai University Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences

Designing new cathodes with high capacity and moderate potential is the key to breaking the energy density ceiling imposed by current intercalation chemistry on rechargeable batteries. The carbonaceous materials provide high capacities but their low potentials limit their application to anodes. Here, we show that Fermi level tuning by p-type doping can be an effective way of dramatically raising electrode potential. We demonstrate that Li（Na）BCF;/Li（Na）B;C;F;exhibit such change in Fermi level, enabling them to accommodate Li;（Na;） with capacities of 290–400（250–320） m Ah g;at potentials of 3.4–3.7（2.7–2.9） V, delivering ultrahigh energy densities of 1000–1500 Wh kg;. This work presents a new strategy in tuning electrode potential through electronic band structure engineering.

关键词： p-type doping strategy electrochemical potential tuning Li(Na)BCF2/B2C2F2 cathodes ultrahigh energy densities

Topologically Correct Intersection Curves of Two Trimmed Quadrics with Tolerance Control

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Journal of Systems Science & Complexity 2024年第5期37卷 2207-2239页

作者： shao Wenbing CHEN Falai Department of Mathematics University of Science and Technology of China

Surface/surface intersection is a fundamental problem in Compute Aided Design and Geometric Modeling since it is essential to solid modeling, numerically controlled machining, feature recognition, computer animation, etc. In practical applications, quadric surfaces, which are the most basic type of surfaces, are typically bounded surfaces trimmed by a sequence of planes. In this paper,a robust algorithm is proposed for computing the intersection curve segments of two trimmed quadrics based on the parametric representation of the intersection curves of two quadrics. The proposed algorithm guarantees correct topology and ensures that the approximation errors of the end points of the intersection curve segments are less than a given tolerance. The error control is based on an effective solution to a set of polynomial inequality system using the root isolation technique. Some examples are presented to validate the robustness and effectiveness of the proposed algorithm.

关键词： Polynomial inequality system root isolation surface/surface intersection tolerance control trimmed quadrics

Pseudoeffective thresholds and cohomology of twisted symmetric tensor fields on irreducible Hermitian symmetric spaces

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Science China Mathematics 2024年第11期67卷 2433-2452页

作者： Feng shao Institute of Mathematics Academy of Mathematics and Systems ScienceChinese Academy of Sciences School of Mathematical Sciences University of Chinese Academy of Sciences

Let X be an irreducible Hermitian symmetric space of compact type(IHSS for short).In this paper,we give the irreducible decomposition of *** a by-product,we give a cohomological characterization of the rank of ***,we introduce pseudoeffective thresholds to measure the bigness of tangent bundles of smooth complex projective varieties precisely and calculate them for irreducible Hermitian symmetric spaces of compact type.

关键词： tangent bundle pseudoeffective threshold irreducible Hermitian symmetric space of compact type (IHSS) multiplicity free action

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Interview with optical scientist and engineer Joseph Braat

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Advanced Photonics 2024年第3期6卷 7-12页

作者： Yifeng shao Delft University of Technology

Joseph Braat(professor emeritus TU Delft and former research fellow at Philips Research) received the 2019 Holst Memorial Lecture Award for his important contributions in to diffractionlimited optical imaging and scan...

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Analysis of spatial distribution characteristics and driving factors of ethnicminority villages in China using geospatial technology and statistical models

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Journal of Mountain Science 2024年第8期21卷 2770-2789页

作者： shao Dandan ZOH Kyungjin Interdisciplinary Program in Landscape Architecture Graduate School of Environmental StudiesSeoul National UniversitySeoul 08826Korea Graduate School of Environmental Studies Seoul National UniversitySeoul 08826Korea

This study aims to reveal the spatial structural characteristics of 1,652 Ethnic-Minority Villages(EMV)in China and to analyze the mechanisms driving their spatial *** are a special type of settlement space that preserve a large number of historical traces of the ethnic culture of ancient *** are important carriers of China’s excellent traditional culture and are key to the implementation of rural revitalization *** this study,1652 EMV in China were selected as the research *** Nearest Neighbor Index,kernel density,and spatial autocorrelation index were employed to reveal the spatial structural characteristics of minority *** network models,spatial lag models,and geographical detectors were used to analyze the formation mechanism of spatial heterogeneity in *** results indicate that:(1)EMV exhibit significant spatial differentiation characterized by“single-core with multiple surrounding sub-centers,”“polarization between east and west,”“decreasing quantity from southwest to east coast to northeast to northwest,”and“large dispersion with small agglomeration.”(2)EMV are mainly distributed in areas rich in intangible cultural heritage,with high vegetation coverage and low altitude,far from central cities,and having limited arable land and an underdeveloped economy and transportation,particularly in shaded or riverbank areas.(3)Distance from the nearest river(X3),distance from central cities(X8),national intangible cultural heritage(X9),and NDVI(X10)were the main driving factors affecting the spatial distribution of EMV,whereas elevation(X1)and GDP(X5)had the weakest *** EMV are a relatively unique territorial spatial unit,the identification of their spatial heterogeneity characteristics not only deepens the research content of settlement geography,but also involves the assessment,protection,and development of Minority Villages,which is of great significance for the inheritance and utilization of excellent

关键词： Ethnic-Minority Villages Spatial structure Settlement geography Neural network model Spatial econometric model GeoDetector

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Fear and delay effects on a food chain system with two kinds of different functional responses

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International Journal of Biomathematics 2024年第3期17卷 89-122页

作者： Yuanfu shao College of Science Guilin University of Technology GuilinGuangci 541004P.R.China

For food chain system with three populations,direct predation is the basic interaction between *** species often have different predation functional responses,so a food chain system with Holling-II response for middle predator and Beddinton-DeAngelis response for top predator is *** from direct predation,predator population can significantly impact the survival of prey population by inducing the prey's fear,but the impact often possesses a time *** paper is concentrated to explore how the fear and time delay affect the system stability and the species *** use of Lyapunov functional method and bifurcation theory,the positiveness and boundedness of solutions,local and global behavior of species,the system stability around the equilibrium states and various kinds of bifurcation are ***,some simulations are carried out to validate the main findings and the critical values of the bifurcation parameters of fear and conversion rate are *** is observed that fear and delay can not only stabilize,but also destabilize the system,which depends on the magnitude of the fear and *** system varies from unstable to stable due to the continuous increase of the prey's fear by middle *** fear induced by top predator or small delay of the prey's fear can stabilize the system,while they are sufficiently large,the system stability is to be ***,the conversion rate can also change the stability and even make the species to be *** rich dynamics like multiple stabilities and various types of bistability behaviors are also exhibited,which results in the convergence of the species from one stable equilibrium to another.

关键词： Fear functional response equilibrium bifurcation analysis bi-stability