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Automated Identification of Ordered Phases for Simulation Studies of Block Copolymers

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Chinese Journal of Polymer Science 2024年第5期42卷 683-692,I0011页

作者： Yu-Chen Zhang Wei-ling Huang yi-Xin Liu State Key Laboratory of Molecule Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai200433China

In unit cell simulations,identification of ordered phases in block copolymers(BCPs)is a tedious and time-consuming task,impeding the advancement of more streamlined and potentially automated research *** this study,we propose a scattering-based automated identification strategy(SAIS)for characterization and identification of ordered phases of BCPs based on their computed scattering *** approach leverages the scattering theory of perfect crystals to efficiently compute the scattering patterns of periodic morphologies in a unit *** the first stage of the SAIS,phases are identified by comparing reflection conditions at a sequence of Miller *** confirm or refine the identification results of the first stage,the second stage of the SAIS introduces a tailored residual between the test phase and each of the known candidate ***,our strategy incorporates a variance-like criterion to distinguish background species,enabling its extension to multi-species BCP *** has been demonstrated that our strategy achieves exceptional accuracy and robustness while requiring minimal computational ***,the approach allows for real-time expansion and improvement to the candidate phase library,facilitating the development of automated research workflows for designing specific ordered structures and discovering new ordered phases in BCPs.

关键词： Block copolymer Phase identification Scattering function

Mathematical Model,Numerical Simulation and Convergence Analysis of a Semiconductor Device Problem with Heat and Magnetic Influences

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Acta Mathematicae Applicatae Sinica 2024年第2期40卷 302-319页

作者： Chang-feng LI yi-rang YUAN Huai-ling SONG School of Economics Shandong UniversityJinan 250100China Institute of Mathematics Shandong UniversityJinan 250100China College of Mathematics and Econometrics Hunan UniversityChangsha 410082China

In this paper,the authors discuss a three-dimensional problem of the semiconductor device type involved its mathematical description,numerical simulation and theoretical *** important factors,heat and magnetic influences are *** mathematical model is formulated by four nonlinear partial differential equations(PDEs),determining four major physical *** influences of magnetic fields are supposed to be weak,and the strength is parallel to the *** elliptic equation is treated by a block-centered method,and the law of conservation is *** computational accuracy is improved one *** equations are convection-dominated,thus are approximated by upwind block-centered *** difference can eliminate numerical dispersion and nonphysical *** diffusion is approximated by the block-centered difference,while the convection term is treated by upwind ***,the unknowns and adjoint functions are computed at the same *** characters play important roles in numerical computations of conductor device *** the theories of priori analysis such as energy estimates,the principle of duality and mathematical inductions,an optimal estimates result is *** a composite numerical method is shown for solving this problem.

关键词： three-dimensional conductor device problem with heat and magnetic influences upwind blockcentered differences elemental conservation of mass numerical analysis

Application of total keratometry in ten intraocular lens power calculation formulas in highly myopic eyes

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Eye and Vision 2024年第2期10卷 22-30页

作者： ling Wei Kaiwen Cheng Wenwen He Xiangjia Zhu yi Lu Department of Ophthalmology and Eye Institute Eye and ENT Hospital of Fudan UniversityShanghai 200031China Key Laboratory of Myopia(Fudan University)Key Laboratory of MyopiaShanghai Key Laboratory of Visual Impairment and Restoration National Health CommissionChinese Academy of Medical ScienceShanghai 200031China State Key Laboratory of Medical Neurobiology Fudan UniversityShanghai 200031China

Background:The accuracy of using total keratometry(TK)value in recent IOL power calculation formulas in highly myopic eyes remained ***:Highly myopic patients who underwent uneventful cataract surgery were prospectively enrolled in this prospective comparative *** one month postoperatively,standard deviation(SD)of the prediction errors(PEs),mean and median absolute error(MedAE)of 103 highly myopic eyes were back-calculated and compared among ten formulas,including XGboost,RBF 3.0,Kane,Barrett Universal II,Emmetropia Verifying Optical 2.0,Cooke K6,Haigis,SRK/T,and Wang-Koch modifications of Haigis and SRK/T formulas,using either TK or standard keratometry(K)***:In highly myopic eyes,despite good agreement between TK and K(P>0.05),larger differences between the two were associated with smaller central corneal thickness(P0.05),which both presented smaller MedAEs than others(all P2.%vs.87.38%,P>0.05),and statistically larger percentages than the other eight formulas(P<0.05).Conclusions:Highly myopic eyes with thinner corneas tend to have larger differences between TK and *** XGboost enhancement calculator and RBF 3.0 formula using TK showed the most promising outcomes in highly myopic eyes.

关键词： High myopia Total keratometry Cataract surgery IOL power calculation

Characteristics of the crack tip field in high-speed railway tunnel linings under train-induced aerodynamic shockwaves

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Underground Space 2024年第5期18卷 199-217页

作者： yi-Kang Liu Yu-ling Wang E Deng yi-Qing Ni Wei-Chao Yang Wai-Kei Ao School of Civil Engineering Central South UniversityChangsha 410075China National Rail Transit Electrification and Automation Engineering Technology Research Center(Hong Kong Branch) The Hong Kong Polytechnic UniversityHong Kong 999077China Department of Civil and Environmental Engineering The Hong Kong Polytechnic UniversityHong Kong 999077China The Hong Kong Polytechnic University Shenzhen Research Institute Shenzhen 518057China National Engineering Research Center of High-speed Railway Construction Technology Changsha 410075China

High-speed railway tunnels in various countries have continuously reported accidents of vault falling concrete *** the concrete block falling occurs,serious consequences follow,and traffic safety may be *** aerodynamic shockwave evolves from the initial compression wave may be an important inducement causing the tunnel lining cracks to grow and form falling concrete blocks.A joint calculation framework is established based on ANSYS Fluent,ABAQUS,and FRANC3D for calculating the crack tip field under the aerodynamic *** intensification effect of aerodynamic shockwaves in the crack is revealed,and the evolution characteristics of the crack tip field and the influence factors of stress intensity factor(SIF)are *** show that(1)the aerodynamic shockwave intensifies after entering the crack,resulting in more significant pressure in the crack than the input *** maximum pressure of the inclined and longitudinal cracks is higher than the corresponding values of the circumferential crack,respectively.(2.The maximum SIF of the circumferential,inclined,and longitudinal crack appears at 0.5,0.68,and 0.78 times the crack front *** maximum SIF of the circumferential crack is higher than that of the inclined and longitudinal *** possibility of crack growth of the circumferential crack is the highest under aerodynamic shockwaves.(3)The influence of train speed on the SIF of the circumferential crack is more than 40%.When the train speed,crack depth,and crack length change,the change of pressure in the crack is the direct cause of the change of SIF.

关键词： Falling concrete blocks Tunnel lining cracks Aerodynamic shockwave Intensification effect Crack tip field Stress intensity factor

Effectiveness of urban distributed runoff model for discharge and water depth calculation in urban drainage pipe networks

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Journal of Hydrodynamics 2024年第3期36卷 582-591页

作者： Yang Zhou yi-ling Leng Peng-yu Wang Shang-hong Zhang Yu-long Zhu Yu-jun yi School of Water Resources and Hydropower Engineering North China Electric Power UniversityBeijing102206China State Key Laboratory of Water Environment Simulation School of EnvironmentBeijing Normal UniversityBeijing100875China

Effective urban land-use re-planning and the strategic arrangement of drainage pipe networks can significantly enhance urban flood defense *** at reducing the potential risks of urban flooding,this paper presents a straightforward and efficient approach to an urban distributed runoff model(UDRM).The model is developed to quantify the discharge and water depth within urban drainage pipe networks under varying rainfall intensities and land-use *** Nash efficiency coefficient of UDRM exceeds 0.9,which indicates its high computational efficiency and potential benefit in predicting urban *** prediction of drainage conditions under both current and re-planned land-use types is achieved by adopting different flood recurrence *** findings reveal that the re-planned land-use strategies could effectively diminish flood risk upstream of the drainage pipe network across 2.-year and 50-year flood recurrence ***,in the case of extreme rainfall events(a 100-year flood recurrence),the re-planned land-use approach fell short of fulfilling the requirements necessary for flood disaster *** these instances,the adoption of larger-diameter drainage pipes becomes an essential requisite to satisfy drainage ***,the proposed UDRM effectively combines land-use information with pipeline data to give practical suggestions for pipeline modification and land-use optimization to combat urban ***,this methodology warrants further promotion in the field of urban re-planning.

关键词： Stormwater runoff water depth urban distributed runoff model urban drainage pipe networks urban land-use re-planning

Sustainable development of electroencephalography materials and technology

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SusMat 2024年第2期4卷 125-144页

作者： ling Xiong Nannan Li yi Luo Lei Chen Institutes for Breast Health Medicine West China HospitalSichuan UniversityChengduChina Micro/Nano Fabrication Laboratory Microsystem and Terahertz Research CenterChina Academy of Engineering PhysicsChengduChina Institute of Electronic Engineering China Academy of Engineering PhysicsMianyangChina Department of Neurology Joint Research Institution of Altitude HealthWest China HospitalSichuan UniversityChengduChina

Electroencephalogram(EEG)is one of the most important bioelectrical signals related to brain activity and plays a crucial role in clinical *** by continuously expanding applications,the development of EEG materials and technology has attracted considerable ***,systematic analysis of the sustainable development of EEG materials and technology is still *** review discusses the sustainable development of EEG materials and ***,the developing course of EEG is introduced to reveal its significance,particularly in clinical ***,the sustainability of the EEG materials and technology is discussed from two main aspects:integrated systems and EEG *** integrated systems,sustainability has been focused on the developing trend toward mobile EEG systems and big-data monitoring/analyzing of EEG *** is related to miniaturized,wireless,portable,and wearable systems that are integrated with big-data modeling *** EEG electrodes and materials,sustainability has been comprehensively analyzed from three perspectives:performance of different material/structural categories,sustainablematerials for EEGelectrodes,and sustainable manufacturing *** addition,sustainable applications of EEG have been ***,the sustainable development of EEG materials and technology in recent decades is summarized,revealing future possible research directions as well as urgent challenges.

关键词： clinical medicine electroencephalography technology limitations and future directions materials and electrodes sustainable development

Optimal control of differential quasivariational-hemivariational inequalities with applications

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Science China Mathematics 2024年第11期67卷 2587-2606页

作者： Dong-ling Cai Stanis?aw Migórski yi-bin Xiao School of Mathematical Sciences University of Electronic Science and Technology of China College of Applied Mathematics Chengdu University of Information Technology Chair of Optimization and Control Jagiellonian University in Krakow

In this paper,we study a new class of differential quasivariational-hemivariational inequalities of the elliptic *** problem consists of a system coupling the Cauchy problem for an ordinary differential equation with the variational-hemivariational inequalities,unilateral constraints,and history-dependent ***,based on the Minty formulation and the continuity of the solution map of a parametrized quasivariational-hemivariational inequality,and a fixed point theorem for a history-dependent operator,we prove a result on the ***,we examine optimal control problems for differential quasivariational-hemivariational inequalities,including a time-optimal control problem and a maximum stay control problem,for which we show the existence of *** all the optimal control problems,the system is controlled through a distributed and boundary control,a control in initial conditions,and a control that appears in history-dependent ***,we illustrate the results by considering a nonlinear controlled system for a time-dependent elliptic equation with unilateral constraints.

关键词： differential variational-hemivariational inequality unilateral constraint history-dependent operator optimal control time-optimal control maximum stay problem

Cross-species transmission and host range genes in poxviruses

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Virologica Sinica 2024年第2期39卷 177-193页

作者： Chen-Hui Yang A-ling Song Ye Qiu Xing-yi Ge College of Biology Hunan Provincial Key Laboratory of Medical VirologyHunan UniversityChangsha410012China

The persistent epidemic of human mpox, caused by mpox virus (MPXV), raises concerns about the future spread ofMPXV and other poxviruses. MPXV is a typical zoonotic virus which can infect human and cause smallpox-likesymptoms. MPXV belongs to the Poxviridae family, which has a relatively broad host range from arthropods tovertebrates. Cross-species transmission of poxviruses among different hosts has been frequently reported andresulted in numerous epidemics. Poxviruses have a complex linear double-strand DNA genome that encodeshundreds of proteins. Genes related to the host range of poxvirus are called host range genes (HRGs). This reviewbriefly introduces the taxonomy, phylogeny and hosts of poxviruses, and then comprehensively summarizes thecurrent knowledge about the cross-species transmission of poxviruses. In particular, the HRGs of poxvirus aredescribed and their impacts on viral host range are discussed in depth. We hope that this review will provide acomprehensive perspective about the current progress of researches on cross-species transmission and HRGvariation of poxviruses, serving as a valuable reference for academic studies and disease control in the future.

关键词： Poxvirus Host range gene(HRG) Host spectrum Cross-species transmission

Refined symmetry-resolved Page curve and charged black holes

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Chinese Physics C 2024年第5期48卷 134-140页

作者：李磐凌意 Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China School of Physics University of Chinese Academy of SciencesBeijing 100049China

The Page curve plotted using the typical random state approximation is not applicable to a system with conserved quantities,such as the evaporation process of a charged black hole,during which the electric charge does not macroscopically radiate out with a uniform *** this context,the symmetry-resolved entanglement entropy may play a significant role in describing the entanglement structure of such a *** attempt to impose constraints on microscopic quantum states to match the macroscopic phenomenon of charge radiation during black hole ***,we consider a simple qubit system with conserved spin/charge serving as a toy model for the evaporation of charged black *** propose refined rules for selecting a random state with conserved quantities to simulate the distribution of charges during the different stages of evaporation and obtain refined Page curves that exhibit distinct features in contrast to the original Page *** find that the refined Page curve may have a different Page time and exhibit asymmetric behavior on both sides of the Page *** refined Page curves may provide a more realistic description for the entanglement between the charged black hole and radiation during the evaporation process.

关键词： quantum entanglement Page curve charged black hole black hole evaporation Hawking radiation Schwinger effect random state average entropy