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Experimental and computational study of annealed nickel sulfide quantum dots for catalytic and antibacterial activity

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Nano Materials Science 2024年第3期6卷 355-364页

作者： Muhammad Ikram Sawaira Moeen Ali Haider Anwar Ul-Hamid Haya Alhummiany Hamoud H.Somaily Souraya Goumri-Said Mohammed Benali Kanoun Solar Cell applications Research Lab Department of PhysicsGovernment College University LahoreLahore54000PunjabPakistan Department of Clinical Sciences Faculty of Veterinary and Animal SciencesMuhammad Nawaz ShareefUniversity of Agriculture66000MultanPunjabPakistan Core Research Facilities King Fahd University of Petroleum&MineralsDhahran31261Saudi Arabia Department of Physics Faculty of ScienceUniversity of JeddahP.O.Box 13151Jeddah21493Saudi Arabia Department of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Physics Department College of Science and General StudiesAlfaisal UniversityP.O.Box 50927Riyadh11533Saudi Arabia Department of Mathematics and Sciences College of Humanities and SciencesPrince Sultan UniversityP.O.Box 66833Riyadh11586Saudi Arabia

This research investigates the hydrothermal synthesis and annealing duration effects on nickel sulfide(NiS_(2) quantum dots(QDs)for catalytic decolorization of methylene blue(MB)dye and antimicrobial *** size increased with longer annealing,reducing catalytic ***–vis,XRD,TEM,and FTIR analyses probed optical structural,morphological,and vibrational *** confirmed NiS2's anorthic structure,with crystallite size growing from 6.53 to 7.81 nm during extended ***–Vis exhibited a bathochromic shift,reflecting reduced band gap energy(Eg)in NiS_(2).TEM revealed NiS_(2)QD formation,with agglomerated QD average size increasing from 7.13 to 9.65 nm with prolonged *** NiS_(2) showed significant MB decolorization(89.85%)in acidic *** NiS_(2) QDs demonstrated notable antibacterial activity,yielding a 6.15mm inhibition zone against Escherichia coli(***)compared to ***-principles computation supported a robust interaction between MB and NiS_(2),evidenced by obtained adsorption *** study highlights the nuanced relationship between annealing duration,structural changes,and functional properties in NiS_(2)QDs,emphasizing their potential applications in catalysis and antibacterial interventions.

关键词： NiS_(2) antibacterial quantum dots dye degradation DFT

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A giant atom with modulated transition frequency

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Frontiers of physics 2023年第1期18卷 209-218页

作者： Lei Du Yan Zhang Yong Li Center for Theoretical Physics and School of Science Hainan UniversityHaikou 570228China Beijing computational Science Research Center Beijing 100193China Center for Quantum Sciences and School of Physics Northeast Normal UniversityChangchun 130024China Synergetic Innovation Center for Quantum Effects and applications Hunan Normal UniversityChangsha 410081China

Giant atoms are known for the frequency-dependent spontaneous emission and associated interference *** this paper,we study the spontaneous emission dynamics of a two-level giant atom with dynamically modulated transition *** is shown that the retarded feedback effect of the giant-atom system is greatly modified by a dynamical phase arising from the frequency modulation and the retardation effect ***,such a modification can in turn suppress the retarded feedback such that the giant atom behaves like a small *** introducing an additional phase difference between the two atom-waveguide coupling paths,we also demonstrate the possibility of realizing chiral and tunable temporal profiles of the output *** results in this paper have potential applications in quantum information processing and quantum network engineering.

关键词： giant atoms frequency modulation spontaneous emission dynamics non-Markovian retardation effect

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A Conservative Lagrangian Scheme for Solving Compressible Fluid Flows with Multiple Internal Energy Equations

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Communications in computational Physics 2012年第10期12卷 1307-1328页

作者： Juan Cheng Chi-Wang Shu Qinghong Zeng National Key Laboratory of Science and Technology on computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Division of Applied Mathematics Brown UniversityProvidenceRI 02912USA Institute of Applied Physics and computational Mathematics Beijing 100088China

Lagrangianmethods arewidely used inmany fields formulti-material compressible flow simulations such as in astrophysics and inertial confinement fusion(ICF),due to their distinguished advantage in capturing material interfaces *** some of these applications,multiple internal energy equations such as those for electron,ion and radiation are *** the past decades,several staggeredgrid based Lagrangian schemes have been developed which are designed to solve the internal energy equation *** schemes can be easily extended to solve problems with multiple internal energy *** such schemes are typically not conservative for the total ***,significant progress has been made in developing cell-centered Lagrangian schemes which have several good properties such as conservation for all the conserved variables and easiness for ***,these schemes are commonly designed to solve the Euler equations in the form of the total energy,therefore they cannot be directly applied to the solution of either the single internal energy equation or the multiple internal energy equations without significant *** modifications,if not designed carefully,may lead to the loss of some of the nice properties of the original schemes such as conservation of the total *** this paper,we establish an equivalency relationship between the cell-centered discretizations of the Euler equations in the forms of the total energy and of the internal *** a carefully designed modification in the implementation,the cell-centered Lagrangian scheme can be used to solve the compressible fluid flow with one or multiple internal energy equations and meanwhile it does not lose its total energy conservation *** advantage of this approach is that it can be easily applied to many existing large application codes which are based on the framework of solving multiple internal energy *** two dimensional numerical examp

关键词： Lagrangian scheme conservative cell-centered internal energy equation compressible fluid flow three-temperaturemodel

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On global controllability for a class of polynomial affine nonlinear systems

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控制理论与应用（英文版） 2012年第3期10卷 332-336页

作者： Yimin SUN Guangdong Province Key Laboratory of computational Science School of Mathematics and Computational Science Sun Yat-sen University Guangzhou Guangdong 510275 China

In this paper, a necessary and sufficient condition of the global controllability for a class of low dimensional polynomial affine nonlinear systems with special structure is obtained. The condition is imposed on the coefficients of the system only and the methods are based on Green＇s formula and the trajectory analysis of planar linear system. Furthermore, I point out that the global controllability does not hold for the corresponding high dimensional polynomial system.

关键词： Affine nonlinearity Polynomial system Global controllability Green's Formula

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Picard-Newton Iterative Method with Time Step Control for Multimaterial Non-Equilibrium Radiation Diffusion Problem

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Communications in computational Physics 2011年第9期10卷 844-866页

作者： Jingyan Yue Guangwei Yuan National Key Laboratory of Science and Technology on computational Physics Institute of Applied Physics and Computational MathematicsP.O.Box 8009Beijing 100088China

For a new nonlinear iterative method named as Picard-Newton(P-N)iterative method for the solution of the time-dependent reaction-diffusion systems,which arise in non-equilibrium radiation diffusion applications,two time step control methods are investigated and a study of temporal accuracy of a first order time integration is *** non-equilibrium radiation diffusion problems with flux limiter are considered,which appends pesky complexity and nonlinearity to the diffusion *** results are presented to demonstrate that compared with Picard method,for a desired accuracy,significant increase in solution efficiency can be obtained by Picard-Newton method with the suitable time step size selection.

关键词： Non-equilibrium radiation diffusion Picard Picard-Newton based on linearizationdiscretization nonlinear iterative method time step control

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Intricate evolutions of multiple-period post-buckling patterns in bilayers

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Science China(Physics,Mechanics & Astronomy) 2021年第1期64卷 72-81页

作者： Zhe Cheng Fan Xu Institute of Mechanics and computational Engineering Department of Aeronautics and AstronauticsFudan UniversityShanghai200433China

Surface instability of compliant film/substrate bilayers has raised considerable interests due to its broad applications such as wrinkle-driven surface renewal and antifouling,shape-morphing for camouflaging skins,and micro/nano-scale surface patterning ***,it is still a challenge to precisely predict and continuously trace secondary bifurcation transitions in the nonlinear post-buckling ***,we develop lattice models to precisely capture the nonlinear morphology evolution with multiple mode transitions that occur in the film/substrate *** on our models,we reveal an intricate post-buckling phenomenon involving successive flat-wrinkle-doubling-quadrupling-fold ***-stretch and pre-compression of the substrate,as well as bilayer modulus ratio,can alter surface morphology of film/substrate *** high substrate pre-tension,hierarchical wrinkles emerge in the bilayer with a low modulus ratio,while a wrinkle-to-ridge transition occurs with a high modulus ***,with moderate substrate pre-compression,the bilayer eventually evolves into a period-tripling *** diagrams based on neo-Hookean and Arruda-Boyce constitutions are drawn to characterize the influences of different factors and to provide an overall view of ultimate pattern *** understanding and quantitative prediction of the nonlinear morphological transitions of soft bilayer materials hold potential for multifunctional surface regulation.

关键词： hierarchical wrinkle period-doubling period-tripling period-quadrupling fold ridge

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applications of species accumulation curves in large-scale biological data analysis

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Quantitative Biology 2015年第3期3卷 135-144页

作者： Chao Deng Timothy Daley Andrew Smith Molecular and computational Biology University of Southern California

The species accumulation curve,or collector's curve,of a population gives the expected number of observed species or distinct classes as a function of sampling *** accumulation curves allow researchers to assess and compare diversity across populations or to evaluate the benefits of additional *** applications have focused on ecological populations but emerging large-scale applications,for example in DNA sequencing,are orders of magnitude larger and present new *** developed a method to estimate accumulation curves for predicting the complexity of DNA sequencing *** method uses rational function approximations to a classical nonparametric empirical Bayes estimator due to Good and Toulmin [Biometrika,1956,43,45–63].Here we demonstrate how the same approach can be highly effective in other large-scale applications involving biological data *** include estimating microbial species richness,immune repertoire size,and k-mer diversity for genome assembly *** show how the method can be modified to address populations containing an effectively infinite number of species where saturation cannot practically be *** also introduce a flexible suite of tools implemented as an R package that make these methods broadly accessible.

关键词： accumulation region immune repertoire microbiome diversity rational function approximation species accumulation curve species richness

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Analytical Solution for Time-dependent Flow of a Third Grade Fluid Induced Due to Impulsive Motion of a Flat Porous Plate

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Acta Mathematicae Applicatae Sinica 2015年第3期31卷 757-766页

作者： Taha Aziz F.M.Mahomed Azeem Shahzad Asim Aziz School of computational and Applied Mathematics DST-NRF Centre of Excellence in Mathematical and Statistical Sciences Differential Equations Continuum Mechanics and Applications University of the Witwatersrand School of Natural Sciences National University of Sciences and Technology Department of Mathematics Quaid-i-Azam University Department of Basic Sciences and Humanities National University of Sciences and Technology College of Electrical and Mechanical Engineering

The aim of the present communication is to discuss the analytical solution for the unsteady flow of a third grade fluid which occupies the space y 〉 0 over an infinite porous plate. The flow is generated due to the motion of the plate in its own plane with an impulsive velocity V（t）. Translational symmetries in variables t and y are utilized to reduce the governing non-linear partial differential equation into an ordinary differential equation. The reduced problem is then solved using homotopy analysis method（HAM）. Graphs representing the solution are plotted and discussed and proper conclusions are drawn.

关键词： third grade fluid Porous plate translational symmetries Homotopy analysis method(HAM)

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Autonomous driving: cognitive construction and situation understanding

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Science China(Information Sciences) 2019年第8期62卷 75-101页

作者： Shitao CHEN Zhiqiang JIAN Yuhao HUANG Yu CHEN Zhuoli ZHOU Nanning ZHENG Institute of Artificial Intelligence and Robotics Xi'an Jiaotong University National Engineering Laboratory for Visual Information Processing and applications

Autonomous vehicle is a kind of typical complex artificial intelligence system. In current research of autonomous driving, the most widely adopted technique is to use a basic framework of serial information processing and computations, which consists of four modules: perception, planning, decision-making, and control. However, this framework based on data-driven computing performs low computational efficiency,poor environmental understanding and self-learning ability. A neglected problem has long been how to understand and process environmental perception data from the sensors referring to the cognitive psychology level of the human driving process. The key to solving this problem is to construct a computing model with selective attention and self-learning ability for autonomous driving, which is supposed to possess the mechanism of memorizing, inferring and experiential updating, enabling it to cope with traffic scenarios with high noise, dynamic, and randomness. In addition, for the process of understanding traffic scenes,the efficiency of event-related mechanism is more significant than single-attribute scenario perception ***, an effective self-driving method should not be confined to the traditional computing framework of‘perception, planning, decision-making, and control’. It is necessary to explore a basic computing framework that conforms to human driver’s attention, reasoning, learning, and decision-making mechanism with regard to traffic scenarios and build an autonomous system inspired by biological intelligence. In this article, we review the basic methods and main progress in current data-driven autonomous driving technologies, deeply analyze the limitations and major problems faced by related algorithms. Then, combined with authors’ research, this study discusses how to implement a basic cognitive computing framework of self-driving with selective attention and an event-driven mechanism from the basic viewpoint of cognitive science. It furth

关键词： autonomous driving event-driven mechanism cognitive construction situation understanding intuitive reasoning

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Recent Advances in Automated Theorem Proving on Inequalities

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Journal of Computer Science & Technology 1999年第5期14卷 434-446页

作者：杨路 Chengdu Institute of Computer applications Chinese Academy of Sciences Chengdu P.R. China

Automated theorem proving on inequalities is always considered asa difficult topic in the area of automated reasoning. The relevallt algorithms dependfundamentally on real algebra and real geometry, and the computational complexityincreases very quickly with the dimension, that is, the number of parameters. Somewell-known algorithms are complete theoretically but inefficient in practice, whichcannot verify non-trivial propositions in batches. A dimension- decreasing algorit hmpresellted here can treat radicals efficiently and make the dimensions the *** upon this algorithm, a generic program called 'BOTTEMA' was implementedon a personal computer. More than 1000 algebraic and geometric inequalities includ-ing hundreds of open problems have been verified in this way. This makes it possibleto check a finite many inequalities instead of solving a globaloptimization problem.

关键词： inequality with radicals rationalization dichotomous search

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