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High-throughput computational screening of oxide double perovskites for optoelectronic and photocatalysis applications

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Journal of Energy Chemistry 2021年第6期30卷 351-358,I0009页

作者： Xiaowei jiang Wan-jian yin College of Energy Soochow Institute for Energy and Materials InnovationS(SIEMIS)Soochow UniversitySuzhou 215006JiangsuChina Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of jiangsu Province Soochow UniversitySuzhou 215006JiangsuChina Key Lab of Advanced Optical Manufacturing Technologies of jiangsu Province&Key Lab of Modern Optical Technologies of Education Ministry of China Soochow UniversitySuzhou 215006JiangsuChina

Oxide double perovskites A2 B’B"O6 are a class of emerging materials in the fields of optoelectronics and *** to the chemical flexibilities of perovskite structures,there are multiple elemental combinations of cations A,B’,and B",which leading to tremendous *** this study,we comprehensively screened stable oxide double perovskite A2 B’B"O6 from a pool of 2,018 perovskite candidates using a high-throughput computational *** considering a tolerance factor(t)-octahedral factor(μ) phase diagram,138 candidates with Fm 3 m, P21/c,and R3 c phases were selected and systematically studied via first-principles calculations based on density functional *** screening procedure finally predicted the existence of 21 stable perovskites,and 14 among them have never been *** with existing experimental results demonstrates that the prediction accuracy for perovskite formability is approximately 90%.The predicted oxide double perovskites exhibit quasi-direct bandgaps ranging from 0 to 4.4 eV with a significantly small direct-indirect bandgap difference,balanced electron and hole effective masses,and strong optical *** newly predicted oxide double perovskites may enlarge the pool of material candidates for applications in optoelectronics and *** study provides a route for computational screening of novel perovskites for functional applications.

关键词： Oxide double perovskites First-principles calculations High-throughput Optoelectronics Photocatalysis

On a Problem of Potentially Pancyclic-graphic Sequences Due to S.B. Rao

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Acta Mathematicae Applicatae Sinica 2019年第2期35卷 465-474页

作者： jian-Hua yin Department of Mathematics College of Information Science and TechnologyHainan University

A non-increasing sequenceπ=(d_1,d_2,···,d_n)of nonnegative integers is said to be potentially hamiltonian-graphic(*** pancyclic-graphic)if it is realizable by a simple graph on n vertices containing a hamiltonian cycle(*** cycles of every length from 3 to n).*** and ***(*** Ser.B,13(1972),185–191)and Kundu(Discrete Math.,6(1973),367–376)presented a characterization ofπ=(d_1,d_2,···,d_n)that is potentially ***(Lecture Notes in Math.,No.855,Springer Verlag,1981,417–440,Unsolved Problem 2)further posed the following problem:present a characterization ofπ=(d_1,d_2,···,d_n)that is potentially *** this paper,we first give solution to this problem for the case of 4≤n≤***,we also show that a near regular graphic sequenceπ=(d_1,d_2,···,d_n)with dn≥3 is potentially pancyclic-graphic.

关键词： graphic sequence potentially hamiltonian-graphic sequence potentially pancyclic-graphic sequence

A Rao-type Characterization for a Sequence to Have a Realization Containing an Arbitrary Subgraph H

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Acta Mathematica Sinica,English Series 2014年第3期30卷 389-394页

作者： jian Hua yin Department of Mathematics College of Information Science and TechnologyHainan University

Let G be an arbitrary spanning subgraph of the complete graph Kr＋1 on r＋1 vertices and Kr＋1-E（G） be the graph obtained from Kr＋1 by deleting all edges of G.A non-increasing sequence π=（d1,d2,...,dn） of nonnegative integers is said to be potentially Kr＋1-E（G）-graphic if there is a graph on n vertices that has π as its degree sequence and contains Kr＋1-E（G） as a *** this paper,a characterization of π that is potentially Kr＋1-E（G）-graphic is given,which is analogous to the Erdo s–Gallai characterization of graphic sequences using a system of *** is a solution to an open problem due to Lai and *** a corollary,a characterization of π that is potentially Ks,tgraphic can also be obtained,where Ks,t is the complete bipartite graph with partite sets of size s and *** is a solution to an open problem due to Li and yin.

关键词： Degree sequence potentially Kr+1--E(G)-graphic sequence potentially Ks,t-graphicsequence

Chemical glycobiology drives the discovery of carbohydrate-based drugs

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Chinese Journal of Natural Medicines 2020年第10期18卷 721-722页

作者： yin jian Key Laboratory of Carbohydrate Chemistry and Biotechnology Ministry of EducationSchool of BiotechnologyJiangnan UniversityWuxi 214122China

As one of the four major classes of biomolecules(carbo-hydrate,protein,nuclcotide,and lipid),carbohydrates are themost prominent features of the cell's *** their conjugates(***)play import-ant roles in various biological processes,including inflamma-tion and immune response,angiogenesis and tumor cell meta-stasis,viral and bacterial infection,and many other cell-cellcommunications[1,2].Glycoscicnce has gained significant in-tcrest in biomedical research owing to their critical physiolo-gical functions.

关键词： drugs stasis lipids

PARAMETRIC IDENTIFICATION AND SENSITIVITY ANALYSIS FOR AUTONOMOUS UNDERWATER VEHICLES IN DIVING PLANE

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Journal of Hydrodynamics 2012年第5期24卷 744-751页

作者： XU Feng ZOU Zao-jian yin jian-chuan CAO jian School of Naval Architecture Ocean and Civil Engineering Shanghai Jiao Tong University Shanghai 200240China School of Naval Architecture Ocean and Civil Engineering and State Key Laboratory of Ocean EngineeringShanghai Jiao Tong University Shanghai 200240 China College of Shipbuilding Engineering Harbin Engineering University Harbin 150001 China

The inherent strongly nonlinear and coupling performance of the Autonomous Underwater Vehicles （AUV）, maneuvering motion in the diving plane determines its difficulty in parametric identification. The motion parameters in diving plane are obtained by executing the Zigzag-like motion based on a mathematical model of maneuvering motion. A separate identification method is put forward for parametric identification by investigating the motion equations. Support vector machine is proposed to estimate the hydrodynamic derivatives by analyzing the data of surge, heave and pitch motions. Compared with the standard coefficients, the identified parameters show the validation of the proposed identification method. Sensitivity analysis based on numerical simulation demonstrates that poor sensitive derivative gives bad estimation results. Finally the motion simulation is implemented based on the dominant sensitive derivatives to verify the reconstructed model.

关键词： parametric identification Autonomous Underwater Vehicles (AUVs) support vector machine sensitivity analysis

Harnessing data using symbolic regression methods for discovering novel paradigms in physics

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Science China(Physics,Mechanics & Astronomy) 2024年第6期67卷 1-11页

作者： jianyang Guo Wan-jian yin College of Energy Soochow Institute for Energy and Materials Innovations(SIEMIS)Jiangsu Provincial Key Laboratory for Advanced Carbon Materials and Wearable Energy TechnologiesSoochow UniversitySuzhou 215006China Shanghai Qi Zhi Institute Shanghai 200232China Light Industry Institute of Electrochemical Power Sources Soochow UniversitySuzhou 215006China

In recent years,machine-learning methods have profoundly impacted research in the interdisciplinary fields of ***,most machine-learning models lack interpretability,and physicists doubt the credibility of their conclusions because they cannot be combined with prior physical ***,this review focuses on symbolic regression,which is an interpretable machine-learning ***,the relevant concepts of machine learning are introduced in conjunction with ***,we provide an overview of symbolic regression ***,the recent directions for the application of symbolic regression methods in different subfields of physics are outlined,and an overview of the ways in which the applications of symbolic regression have evolved in the realm of physics is *** major aim of this review is to introduce the basic principles of symbolic regression and explain its applications in the field of physics.

关键词： machine learning genetic programming symbolic regression

Graphic Sequences and Split Graphs

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Acta Mathematicae Applicatae Sinica 2016年第4期32卷 1005-1014页

作者： jian-hua yin Lei MENG Meng-Xiao yin College of Information Science and Technology Hainan University School of Computer Electronics and InformationGuangxi University

The split graph Kr∨Ks on r＋s vertices is denoted by Sr,s A graphic sequence π = （d1, d2, …, dn） is said to be potentially Sr,s-graphic if there is a realization of π containing Sr,s as a subgraph. In this paper, a simple sufficient condition for π to be potentially Sr,s-graphic is obtained, which extends an analogous condition for π to be potentially Kr＋1-graphic due to yin and Li （Discrete Math. 301 （2005） 218-227）. As an application of this condition, we further determine the values of δ（Sr,s, n） for n _≥3＋ 3s - 1.

关键词： graphic sequence potentially Kr+1-graphic sequence potentially St.,s-graphic sequence

On Quasi-weakly Almost Periodic Points of Continuous Flows

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Acta Mathematica Sinica,English Series 2019年第2期35卷 257-269页

作者： Qi YAN jian Dong yin Department of Mathematics Nanchang University School of Mathematical science Xiamen University

Let X be a compact metric space, F : X ×R→ X be a continuous flow and x ∈ X a proper quasi-weakly almost periodic point, that is, x is quasi-weakly almost periodic but not weakly almost periodic. The aim of this paper is to investigate whether there exists an invariant measure generated by the orbit of x such that the support of this measure coincides with the minimal center of attraction of x? In order to solve the problem, two continuous flows are constructed. In one continuous flow,there exist a proper quasi-weakly almost periodic point and an invariant measure generated by its orbit such that the support of this measure coincides with its minimal center of attraction; and in the other,there is a proper quasi-weakly almost periodic point such that the support of any invariant measure generated by its orbit is properly contained in its minimal center of attraction. So the mentioned problem is sufficiently answered in the paper.

关键词： Continuous flow weakly almost periodic point quasi-weakly almost periodic point minimal center of attraction

A Characterization for a Sequence to be Potentially K_(r+1) — e-graphic

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Acta Mathematicae Applicatae Sinica 2013年第4期29卷 787-792页

作者： jian-hua yin Ye WANG Department of Mathematics College of Information Science and TechnologyHainan University

Let n 〉 r, let lr --- （dl,d2,-,dn） be a non-increasing sequence of nonnegative integers and let Kr＋l - e be the graph obtained from Kr＋l by deleting one edge. If zr has a realization G containing Kr＋l - e as a subgraph, then r is said to be potentially Kr＋l - e-graphic. In this paper, we give a characterization for a sequence π to be potentially Kr＋l - e-graphic.

关键词： graph degree sequence potentially Kr+1 - e-graphic sequence