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Molecular dynamics simulation of quartz deformation under slow earthquake background

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Science China Earth sciences 2025年

作者： Jingxian SUN Qianqian GUO Quanlin HOU college of Earth and Planetary sciences University of Chinese Academy of Sciences Key Laboratory of computational Geodynamics CAS

Slow earthquakes are the primary mechanism of slow energy release, and research on the focal mechanism has been inconclusive. Studies have primarily focused on the friction law based on physical mechanisms and have suggested that slow earthquakes are caused by brittle faults. However, the focal strength and structural characteristics of slow earthquakes in subduction zones provide evidence of plastic deformation. What is the role of plastic deformation in the focal mechanisms of slow earthquakes? Mechanochemical study have shown that mechanical forces can directly affect chemical bonds. In this study,we examine the storage and release of chemical energy during plastic deformation and consider a mechanochemical process in the focal mechanism of slow earthquakes. Combined with the Tersoff potential, molecular dynamics simulation on the shear deformation process of two α-quartz crystals show that the shear modulus of α-quartz is 18 GPa, and that the crystal model primarily exhibits atoms flowing and changing in the direction of chemical bonds during the steady-state flow stage. The molecular potential energy and stress vary in an oscillating up-and-down curve during shear, indicating that chemical energy can be stored and released during plastic deformation. This is consistent with the energy variation during slow earthquakes. Under the initial simple-shear loading condition, α-quartz crystals undergo general shear deformation instead of plane strain and the angle between the longest instantaneous stretching axis （ISA1） and the shearing direction is approximately 30°, not 45°. Both the deformation type and direction of ISA1are contrary to basic deformation theory, which may provide clues for future *** study reveals the process of quartz elastic-plastic shear deformation on an atomic scale. This information is useful for understanding focal mechanisms of slow earthquakes. This study is part of a series of investigations on tectonic stress chemistry.

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Solid Waste Management:A MADM Approach Using Fuzzy Parameterized Possibility Single-Valued Neutrosophic Hypersoft Expert Settings

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Computer Modeling in Engineering & sciences 2025年第1期142卷 531-553页

作者： Tmader Alballa Muhammad Ihsan Atiqe Ur Rahman Noorah Ayed Alsorayea Hamiden Abd El-Wahed Khalifa Department of mathematics College of SciencesPrincess Nourah bint Abdulrahman UniversityRiyadh11671Saudi Arabia 2 Department of mathematics University of Management and TechnologyLahore54000Pakistan Department of mathematics College of ScienceQassim UniversityBuraydah51452Saudi Arabia

The dramatic rise in the number of people living in cities has made many environmental and social problems *** search for a productive method for disposing of solid waste is the most notable of these *** scholars have referred to it as a fuzzy multi-attribute or multi-criteria decision-making problem using various fuzzy set-like approaches because of the inclusion of criteria and anticipated *** goal of the current study is to use an innovative methodology to address the expected uncertainties in the problem of solid waste site *** characteristics(or sub-attributes)that decision-makers select and the degree of approximation they accept for various options can both be indicators of these *** tackle these problems,a novel mathematical structure known as the fuzzy parameterized possibility single valued neutrosophic hypersoft expert set(ρˆ-set),which is initially described,is integrated with a modified version of Sanchez’s *** this,an intelligent algorithm is *** steps of the suggested algorithm are explained with an example that explains *** compatibility of solid waste management sites and systems is discussed,and rankings are established along with detailed justifications for their *** study’s strengths lie in its application of fuzzy parameterization and possibility grading to effectively handle the uncertainties embodied in the parameters’nature and alternative approximations,*** uses specific mathematical formulations to compute the fuzzy parameterized degrees and possibility grades that are missing from the prior *** is simpler for the decisionmakers to look at each option separately because the decision is *** the computed results,it is discovered that they are consistent and dependable because of their preferred properties.

关键词： Hypersoft expert set Sanchez’s method decision making optimization solid waste management possibility grade fuzzy parameterization

Global Piecewise Analysis of HIV Model with Bi-Infectious Categories under Ordinary Derivative and Non-Singular Operator with Neural Network Approach

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Computer Modeling in Engineering & sciences 2025年第1期142卷 609-633页

作者： Ghaliah Alhamzi Badr Saad TAlkahtani Ravi Shanker Dubey Mati ur Rahman Department of mathematics and Statistics College of ScienceImam Mohammad Ibn Saud Islamic University(IMSIU)Riyadh13318Saudi Arabia Department of mathematics College of ScienceKing Saud UniversityRiyadh11989Saudi Arabia Department of mathematics Amity School of Applied SciencesAmity University RajasthanJaipur302002India School of Mathematical sciences Jiangsu UniversityZhenjiang212013China Department of Computer Science and mathematics Lebanese American UniversityBeirut13-5053Lebanon

This study directs the discussion of HIV disease with a novel kind of complex dynamical generalized and piecewise operator in the sense of classical and Atangana Baleanu(AB)derivatives having arbitrary *** HIV infection model has a susceptible class,a recovered class,along with a case of infection divided into three sub-different levels or categories and the recovered *** total time interval is converted into two,which are further investigated for ordinary and fractional order operators of the AB derivative,*** proposed model is tested separately for unique solutions and existence on bi *** numerical solution of the proposed model is treated by the piece-wise numerical iterative scheme of Newtons *** proposed method is established for piece-wise derivatives under natural order and non-singular Mittag-Leffler *** cross-over or bending characteristics in the dynamical system of HIV are easily examined by the aspect of this research having a memory effect for controlling the said *** study uses the neural network(NN)technique to obtain a better set of weights with low residual errors,and the epochs number is considered *** obtained figures represent the approximate solution and absolute error which are tested with NN to train the data accurately.

关键词： HIV infection model qualitative scheme approximate solution piecewise global operator neural network

A Synergistic Multi-Attribute Decision-Making Method for Educational Institutions Evaluation Using Similarity Measures of Possibility Pythagorean Fuzzy Hypersoft Sets

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Computer Modeling in Engineering & sciences 2025年第1期142卷 501-530页

作者： Khuram Ali Khan Saba Mubeen Ishfaq Atiqe Ur Rahman Salwa El-Morsy Department of mathematics University of SargodhaSargodha40100Pakistan Department of mathematics University of Management and TechnologyLahore54000Pakistan Department of mathematics College of ScienceQassim UniversityBuraydah51452Saudi Arabia

Due to the numerous variables to take into account as well as the inherent ambiguity and uncertainty,evaluating educational institutions can be *** concept of a possibility Pythagorean fuzzy hypersoft set(pPyFHSS)is more flexible in this regard than other theoretical fuzzy set-like models,even though some attempts have been made in the literature to address such *** study investigates the elementary notions of pPyFHSS including its set-theoretic operations union,intersection,complement,OR-and *** results related to these operations are also modified for ***,the similarity measures between pPyFHSSs are formulated with the assistance of numerical examples and ***,an intelligent decision-assisted mechanism is developed with the proposal of a robust algorithm based on similarity measures for solving multi-attribute decision-making(MADM)problems.A case study that helps the decision-makers assess the best educational institution is discussed to validate the suggested *** algorithmic results are compared with the most pertinent model to evaluate the adaptability of pPyFHSS,as it generalizes the classical possibility fuzzy set-like theoretical ***,while considering significant evaluating factors,the flexibility of pPyFHSS is observed through structural comparison.

关键词： Hypersoft set Pythagorean fuzzy hypersoft set computational complexity multi-attribute decision-making optimization similarity measures uncertainty

On the existence of solutions for prescribing fractional Q-curvature problem on S~n

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Acta Mathematica Sinica,English Series 2025年

作者： Yan LI Zhongwei TANG college of Science China University of Petroleum(Beijing) School of Mathematical sciences Laboratory of Mathematics and Complex Systems MOEBeijing Normal University

The aim of this paper is to investigate the existence of solutions to the prescribing fractional Q-curvature problem on S~n under some reasonable assumption of the Laplacian sign at the critical point of prescribing curvature function K. Due to the lack of compactness, we choose to return to the basic elements of variational theory and study the deformation along the flow lines. The novelty of the paper is that we obtain the existence without assuming any symmetry and periodicity on K. In addition,to overcome the loss of compactness for high-order operator problem, we need more delicate estimates with the second order cases.

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Impact of Pollutant Concentration and Particle Deposition on the Radiative Flow of Casson-Micropolar Fluid between Parallel Plates

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Computer Modeling in Engineering & sciences 2025年第1期142卷 665-690页

作者： Ghaliah Alhamzi Badr Saad T.Alkahtani Ravi Shanker Dubey Vinutha Kalleshachar Neelima Nizampatnam Department of mathematics and Statistics College of ScienceImam Mohammad Ibn Saud Islamic University(IMSIU)Riyadh11564Saudi Arabia Department of mathematics College of ScienceKing Saud UniversityRiyadh11989Saudi Arabia Department of mathematics Amity School of Applied SciencesAmity University RajasthanJaipur302002RajasthanIndia Department of Studies in mathematics Davangere UniversityDavangere577002India Department of Electronics and Communication Engineering Amrita School of EngineeringAmrita Vishwa VidyapeethamBengaluru560035India

Assessing the behaviour and concentration of waste pollutants deposited between two parallel plates is essential for effective environmental *** the effectiveness of treatment methods in reducing pollution scales is made easier by analysing waste discharge *** waste discharge concentration analysis is useful for assessing how effectively wastewater treatment techniques reduce pollution *** study aims to explore the Casson micropolar fluid flow through two parallel plates with the influence of pollutant concentration and thermophoretic particle *** explore the mass and heat transport features,thermophoretic particle deposition and thermal radiation are *** governing equations are transformed into ordinary differential equations with the help of suitable similarity *** Runge-Kutta-Fehlberg’s fourthfifth order technique and shooting procedure are used to solve the reduced set of equations and boundary *** integration of a neural network model based on the Levenberg-Marquardt algorithm serves to improve the accuracy of predictions and optimize the analysis of *** outcomes are displayed to analyze the characteristics of the relevant dimensionless parameters in the current *** reveal that concentration upsurges as the micropolar parameter *** concentration reduces with an upsurge in the thermophoretic *** upsurge in the external pollutant source variation and the local pollutant external source parameters enhances mass *** surface drag force declines for improved values of porosity and micropolar parameters.

关键词： Micropolar fluid thermal radiation porous medium thermophoretic particle deposition waste discharge concentration

Bifunctional bridging capping layer enables 24.5% efficiency of perovskite solar cells with polymer-based hole transport materials

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Science China Chemistry 2025年第1期68卷 350-359页

作者： Can Zhu Yiyang Wang Lei Meng Beibei Qiu Jing Li Shucheng Qin Ke Hu Xin Jiang Wenbin Lai Minchao Liu Zhe Liu Chenxing Lu Jinyuan Zhang Yongfang Li Beijing National Laboratory for Molecular sciences CAS Key Laboratory of Organic Solids Institute of Chemistry Chinese Academy of Sciences School of Chemical Science University of Chinese Academy of Sciences Key Laboratory of Solid State Optoelectronic Devices of Zhejiang Province College of Physics and Electronic Information Engineering Zhejiang Normal University Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of Sciences Laboratory of Advanced Optoelectronic Materials College of Chemistry Chemical Engineering and Materials ScienceSoochow University

Developing a bridge capping layer between perovskite and hole transport layer materials（HTMs） in the n-i-p perovskite solar cells（pero-SCs） is an effective approach to modify the morphology of HTMs and passivate the perovskite ***, we select the quinoxaline-based bifunctional passivation agent, quinoxalin-6-yl-methylamine hydrochloride（Qx MACl）,as the bridging layer, and a D-A copolymer PBQ12 containing the same quinoxaline unit as an HTM for the n-i-p pero-SCs. Due to the π-π stacking among the common quinoxaline units in the bridge layer and HTM, Qx MACl induces the π-π stacking of the PBQ12 film and improves the film morphology of HTMs with better conductivity. Additionally, Qx MACl can effectively passivate the perovskite surface, and PBQ12 possesses appropriate energy levels and high hole mobility. The pero-SCs based on FAPbI3with PBQ12/Qx MACl treatment showed a higher power conversion efficiency（PCE） of 24.05% and outstanding stability, maintaining 95.4% and 92.1% of its initial PCE after 750 h of storage and after over 800 h of thermal annealing at 85 °C, respectively. To further enhance the PCE of the PBQ12/Qx MACl-based devices, we developed a non-metal ion dopant for the PBQ12 HTM. Through trace doping of PBQ12 HTM by the non-metal ion dopant, the PCE of the PBQ12/Qx MACl-based devices reached 25.24%（the calibrated PCE of 24.55% by the National Institute of Metrology, China）.

关键词： D-A copolymer, hole transport materials, bifunctional bridge capping layer, passivation perovskite solar cells

Harnessing therapeutic potential of induced pluripotent stem cell–derived endothelial cells for remyelination in the central nervous system

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Neural Regeneration Research 2025年第6期20卷 1715-1716页

作者： Dan Ma Nona Pop Aston Medical School College of Health and Life SciencesAston UniversityBirminghamUK

Myelin is the protective sheath surrounding nerve fibers, and its damage(demyelination) occurs in many central nervous system(CNS) diseases, including multiple sclerosis(MS), traumatic injury, neurodegenerative diseases such as Alzheimer's disease, and mental disorders such as schizophrenia(Barateiro et al., 2016). Repair of damaged myelin sheaths(remyelination) often fails in MS, leading to neuronal loss and irreversible functional deficits.

关键词： myelin protective diseases

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Comparative Evaluation and Performance Analysis of Heat Exchangers Featured with Peened Surface

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Journal of Thermal Science 2025年第1期34卷 50-61页

作者： DINESHBABU Chinnadurai SHIVA SANKARAN Nallasamy VENKATESH RAJA Krishnan VENKATESH Rathinavelu Department of Mechanical Engineering Kongunadu College of Engineering and Technology Department of Mechanical Engineering Selvam College of Technology Department of Mechanical Engineering Sona College of Technology Department of Mechanical Engineering Saveetha School of EngineeringSaveetha Institute of Medical and Technical Sciences (SIMATS)Saveetha University

Heat exchangers have the potential for various engineering applications,and their performance is enriched by surface *** proposed system enriches the heat exchanger's performance by adapting a peened stainless steel（SS） surface blasted with copper,grinding,sand,and *** influences peened SS surface modified with a copper blast,grinding,sandblast,and iron blast on the surface morphology of shell and tube heat exchanger surface（STHE） is analyzed via tungsten heated cathode electron gun featured scanning electron microscope and observed coarse grain *** SS surface featured STHE performance is experimentally evaluated by different flow rates（30,60,90,and 120 L/min） underwater fluid medium functioned by the temperature ranges of 25-75℃ and its results are compared with computational fluid dynamic（CFD）/heat transfer research（HTRI） analyzed *** 60 L/min flow rate was spotted as an optimum value for both shell and tube side *** STHE is operated with a 60 L/min flow rate under the different peened surfaces and evaluated its Stanton number,Nusselt number,logarithmic mean temperature difference（LMTD）,overall heat transfer coefficient,number of transfer units（NTU）,effectiveness,and exergy *** iron blasted SS peened surface was observed to have better SHTE performance like Stanton number（0.0012）,Nusselt number（2180）,reduced LMTD of 31℃,improved overall heat transfer co-efficient of 2400 W/（m2·K）,better NTU of 0.5532,good effectiveness value of 0.451 62,and hiked exergy efficiency of 10% respectively.

关键词： penned surface performance analysis shell and tube heat exchanger stainless steel