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multi-layer perceptron-based data-driven multiscale modelling of granular materials with a novel Frobenius norm-based internal variable

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Journal of Rock mechanics and Geotechnical Engineering 2024年第6期16卷 2198-2218页

作者： mengqi Wang y.T.feng Shaoheng Guan Tongming Qu Zienkiewicz Centre for Computational Engineering Faculty of Science and EngineeringSwansea UniversitySwanseaWalesSA18EPUK Institute of Theoretical and Computational Physics Graz University of TechnologyGraz8010Austria Department of Civil and Environmental Engineering Hong Kong University of Science and TechnologyClearwater BayKowloonHong KongChina

One objective of developing machine learning(mL)-based material models is to integrate them with well-established numerical methods to solve boundary value problems(BVPs).In the family of mL models,recurrent neural networks(RNNs)have been extensively applied to capture history-dependent constitutive responses of granular materials,but these multiple-step-based neural networks are neither sufficiently efficient nor aligned with the standard finite element method(FEm).Single-step-based neural networks like the multi-layer perceptron(mLP)are an alternative to bypass the above issues but have to introduce some internal variables to encode complex loading *** this work,one novel Frobenius norm-based internal variable,together with the Fourier layer and residual architectureenhanced mLP model,is crafted to replicate the history-dependent constitutive features of representative volume element(RVE)for granular *** obtained mL models are then seamlessly embedded into the FEm to solve the BVP of a biaxial compression case and a rigid strip footing *** obtained solutions are comparable to results from the FEm-DEm multiscale modelling but achieve significantly improved *** results demonstrate the applicability of the proposed internal variable in enabling mLP to capture highly nonlinear constitutive responses of granular materials.

关键词： Granular materials History-dependence multi-layer perceptron(mLP) Discrete element method FEm-DEm machine learning

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Increasing polymer scission rate by tying an overhand knot

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Science China Chemistry 2024年第11期67卷 3498-3499页

作者： yuheng Hu Jennifer T.Ou Jim y.Huang yuanning feng Department of Chemistry and Biochemistry The University of Oklahoma

Similar to the phenomenon of knotted ropes in life, knotted climbing ropes will reduce their strength due to knots. Although computer simulations [1], theoretical speculation[2,3], and intuition [3] suggest that similar processes may occur at the nanoscale, this hypothesis has not been experimentally proven before. With the increasing maturity of molecular recognition and self-assembly, a research communication by Leigh et al. [4] published in Nature Chemistry introduced a molecular overhand knot into a polymer to study its effect on the scission rate of the polymer chain under tension.

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A particle-resolved heat-particle-fluid coupling model by DEm-ImB-LBm

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Journal of Rock mechanics and Geotechnical Engineering 2024年第6期16卷 2267-2281页

作者： ming Xia Jinlong Fu y.T.feng fengqiang Gong Jin yu Hunan Key Laboratory of Geomechanics and Engineering Safety Xiangtan UniversityXiangtan411105China Zienkiewicz Institute for modelling Data and AISwansea UniversitySwanseaSA18EPUK School of Civil Engineering Southeast UniversityNanjing211189China Fujian Research Center for Tunneling and Urban Underground Space Engineering Huaqiao UniversityXiamen361021China

multifield coupling is frequently encountered and also an active area of research in geotechnical *** this work,a particle-resolved direct numerical simulation(PR-DNS)technique is extended to simulate particle-fluid interaction problems involving heat transfer at the grain *** this extended technique,an immersed moving boundary(ImB)scheme is used to couple the discrete element method(DEm)and lattice Boltzmann method(LBm),while a recently proposed Dirichlet-type thermal boundary condition is also adapted to account for heat transfer between fluid phase and solid *** resulting DEm-IBm-LBm model is robust to simulate moving curved boundaries with constant temperature in thermal *** facilitate the understanding and implementation of this coupled model for non-isothermal problems,a complete list is given for the conversion of relevant physical variables to lattice ***,benchmark tests,including a single-particle sedimentation and a two-particle drafting-kissing-tumbling(DKT)simulation with heat transfer,are carried out to validate the accuracy of our coupled *** further investigate the role of heat transfer in particle-laden flows,two multiple-particle problems with heat transfer are *** examples demonstrate that the proposed coupling model is a promising high-resolution approach for simulating the heat-particle-fluid coupling at the grain level.

关键词： Particle-fluid interaction Heat transfer Discrete element method(DEm) Lattice Boltzmann method(LBm) Dirichlet-type thermal boundary Direct numerical simulation

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An mPI parallel DEm-ImB-LBm framework for simulating fluid-solid interaction problems

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Journal of Rock mechanics and Geotechnical Engineering 2024年第6期16卷 2219-2231页

作者： ming Xia Liuhong Deng fengqiang Gong Tongming Qu y.T.feng Jin yu Hunan Key Laboratory of Geomechanics and Engineering Safety Xiangtan UniversityXiangtan411105China School of Civil Engineering Southeast UniversityNanjing211189China Department of Civil and Environmental Engineering Hong Kong University of Science and TechnologyHong KongChina Zienkiewicz Centre for Computational Engineering Swansea UniversitySwanseaSA18ENUK Fujian Research Center for Tunneling and Urban Underground Space Engineering Huaqiao UniversityXiamen361021China

The high-resolution DEm-ImB-LBm model can accurately describe pore-scale fluid-solid interactions,but its potential for use in geotechnical engineering analysis has not been fully unleashed due to its prohibitive computational *** overcome this limitation,a message passing interface(mPI)parallel DEm-ImB-LBm framework is proposed aimed at enhancing computation *** framework utilises a static domain decomposition scheme,with the entire computation domain being decomposed into multiple subdomains according to predefined processors.A detailed parallel strategy is employed for both contact detection and hydrodynamic force *** particular,a particle ID re-numbering scheme is proposed to handle particle transitions across sub-domain *** benchmarks are conducted to validate the accuracy and overall performance of the proposed ***,the framework is applied to simulate scenarios involving multi-particle sedimentation and submarine *** numerical examples effectively demonstrate the robustness and applicability of the mPI parallel DEm-ImB-LBm framework.

关键词： Discrete element method(DEm) Lattice Boltzmann method(LBm) Immersed moving boundary(ImB) multi-cores parallelization message passing interface(mPI) CPU Submarine landslides

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A novel method for AFRPs burrs removal:Principle of mechanochemo-induced fiber fracture

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Chinese Journal of Aeronautics 2024年第7期37卷 522-538页

作者： Jie XU Bo LI Pingfa feng Qiang WANG feng feng Division of Advanced manufacturing Tsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055China Department of mechanical Engineering Tsinghua UniversityBeijing 100084China Changhe Aircraft Industry(Group)Co.Ltd Jingdezhen 333000China

Burrs generated during the machining of Aramid-Fiber-Reinforced Composites(AFRPs)pose a challenge for the production efficiency of aircraft and helicopter housing *** studies have generally attempted to suppress burrs by referring to delamination suppression *** contrast to stratification,burrs are remediable machining *** such,a mechanochemical method with burrs trimming technological strategy are implemented to effectively combat ***,we clarify the mechanism by which aramid fibers cannot be cut off using analytical and numerical *** addition,the mechanism of fiber fracture with modified Polyurethane Reactive Polymer(m-PUR),and development of anti-burr devices(thermostatic adhesive sealed generator)are ***,the experimental results show that the reduction rate in burr length is 87%-91%through the mechanochemical *** method not only opens a new avenue to solve the burr problem of aramid fibers but also builds an interdisciplinary bridge between polymer science and composite machining.

关键词： mechanochemical method Burrs Orthogonal cutting Aramid fiber-reinforced composites milling

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Growth of RB Population in the Conversion Phase of Chlamydia Life Cycle

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Communications on Applied mathematics and Computation 2024年第1期6卷 90-112页

作者： Frederic y.m.Wan Department of mathematics University of CaliforniaIrvineCA92697-3875USA

Upon infecting a host cell,the reticulate body(RB)form of the Chlamydia bacteria simply proliferates by binary fission for an extended *** data show only RB units in the infected cells 20 hours post infection(hpi),spanning nearly half way through the development *** data collected every 4 hpi,conversion to the elementary body(EB)form begins abruptly at a rapid rate sometime around 24 *** modeling proliferation and conversion as simple birth and death processes,it has been shown that the optimal strategy for maximizing the total(mean)EB population at host cell lysis time is a bang-bang control qualitatively replicating the observed conversion ***,the simple birth and death model for the RB proliferation and conversion to EB deviates in a significant way from the available data on the evolution of the RB population after the onset of RB-to-EB *** working with a more refined model that takes into account a small size threshold eligibility requirement for conversion noted in the available data,we succeed in removing the deficiency of the previous models on the evolution of the RB population without affecting the optimal bang-bang conversion strategy.

关键词： Chlamydia Life cycle Optimal control maximal infectious spread Specie competitive survival

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managing the surge:A comprehensive review of the entire disposal framework for retired lithium-ion batteries from electric vehicles

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Journal of Energy Chemistry 2024年第5期92卷 648-680页

作者： Ruohan Guo feng Wang m.Akbar Rhamdhani yiming Xu Weixiang Shen Department of Engineering Technologies School of ScienceComputing and Engineering TechnologiesSwinburne University of TechnologyMelbourne VIC 3122Australia Department of Chemistry and Biotechnology School of ScienceComputing and Engineering TechnologiesSwinburne University of TechnologyMelbourne VIC 3122Australia Department mechanical and Product Design Engineering School of EngineeringSwinburne University of TechnologyMelbourne VIC 3122Australia

Anticipating the imminent surge of retired lithium-ion batteries(R-LIBs)from electric vehicles,the need for safe,cost-effective and environmentally friendly disposal technologies has *** paper seeks to offer a comprehensive overview of the entire disposal framework for R-LIBs,encompassing a broad spectrum of activities,including screening,repurposing and ***,we delve deeply into a thorough examination of current screening technologies,shifting the focus from a mere enumeration of screening methods to the exploration of the strategies for enhancing screening ***,we outline battery repurposing with associated key factors,summarizing stationary applications and sizing methods for R-LIBs in their second life.A particular light is shed on available reconditioning solutions,demonstrating their great potential in facilitating battery safety and lifetime in repurposing scenarios and identifying their techno-economic *** the realm of battery recycling,we present an extensive survey of pre-treatment options and subsequent material recovery ***,we introduce several global leading recyclers to illustrate their industrial processes and technical ***,relevant challenges and evolving trends are investigated in pursuit of a sustainable end-of-life management and disposal *** hope that this study can serve as a valuable resource for researchers,industry professionals and policymakers in this field,ultimately facilitating the adoption of proper disposal practices.

关键词： Lithium-ion battery Battery reproposing and recycling miaieiials recovery technologies Techno-economic issues End-of-life management Disposal framework

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A Collocation Technique via Pell-Lucas Polynomials to Solve Fractional Differential Equationmodel for HIV/AIDS with Treatment Compartment

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Computer modeling in Engineering & Sciences 2024年第10期141卷 281-310页

作者： Gamze yıldırım Suayip yüzbası Department of mathematics Faculty of ScienceAkdeniz UniversityAntalya07058Turkey Department of mathematics Faculty of Basic ScienceGebze Technical UniversityKocaeli41400Turkey Department of mathematics Faculty of ScienceBartın UniversityBartın74100Turkey

In this study,a numerical method based on the Pell-Lucas polynomials(PLPs)is developed to solve the fractional order HIV/AIDS epidemic model with a treatment *** HIV/AIDS mathematical model with a treatment compartment is divided into five classes,namely,susceptible patients(S),HIV-positive individuals(I),individuals with full-blown AIDS but not receiving ARV treatment(A),individuals being treated(T),and individuals who have changed their sexual habits sufficiently(R).According to the method,by utilizing the PLPs and the collocation points,we convert the fractional order HIV/AIDS epidemic model with a treatment compartment into a nonlinear system of the algebraic ***,the error analysis is presented for the Pell-Lucas approximation *** aim of this study is to observe the behavior of five populations after 200 days when drug treatment is applied to HIV-infectious and full-blown AIDS *** demonstrate the usefulness of this method,the applications are made on the numerical example with the help of *** addition,four cases of the fractional order derivative(p=1,p=0.95,p=0.9,p=0.85)are examined in the range[0,200].Owing to applications,we figured out that the outcomes have quite decent ***,we understand that the errors decrease when the value of N *** figures in this study are created in *** outcomes indicate that the presented method is reasonably sufficient and correct.

关键词： Collocation method fractional differential equations HIV/AIDS epidemic model Pell-Lucas polynomials

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Reactive destabilization and bidirectional catalyzation for reversible hydrogen storage of LiBH_(4) by novel waxberry-like nano-additive assembled from ultrafine Fe_(3)O_(4) particles

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Journal of materials Science & Technology 2024年第6期173卷 63-71页

作者： S.Wang m.H.Wu y.y.Zhu Z.L.Li y.X.yang y.Z.Li H.F.Liu m.X.Gao Department of material Science Shenzhen MSU-BIT UniversityShenzhen 518172China State Key Laboratory of Silicon and Advanced Semiconductor materials&School of materials Science and Engineering Zhejiang UniversityHangzhou 310027China Institute of Resources Utilization and Rare Earth Development State Key Laboratory of Rare Metals Separation and Comprehensive UtilizationGuangdong Provincial Key Laboratory of Rare Earth Development and ApplicationGuangdong Academy of SciencesGuangzhou 510650China Institute of Science and Technology for New Energy Xi’an Technological UniversityXi’an 710021China National Supercomputing Center in Shenzhen Shenzhen 518055China

LiBH_(4) containing 18.5 wt.%H_(2) is an attractive high-capacity hydrogen storage material,however,it suffers from high operation temperature and poor ***,a novel and low-cost bifunctional additive,waxberry-like Fe_(3)O_(4) secondary nanospheres assembled from ultrafine primary Fe_(3)O_(4) nanoparticles,is synthesized,which exhibits significant destabilization and bidirectional catalyzation towards(de)hydrogenation of LiBH_(4).With an optimized addition of 30 wt.% waxberry-like Fe_(3)O_(4),the system initiated dehydrogenation below 100℃ and released a total of 8.1 wt.%H_(2) to 400℃.After 10 cycles,a capacity retention of 70% was achieved,greatly superior to previously reported oxides-modified *** destabilizing and catalyzing mechanisms of waxberry-like Fe_(3)O_(4) on LiBH_(4) were systematically analyzed by phase and microstructural evolutions during dehydrogenation and hydrogenation cycling as well as density functional theory(DFT)*** present work provides new insights in developing advanced nano-additives with unique structural and multifunctional designs towards LiBH4 hydrogen storage.

关键词： LiBH_(4) Hydrogen storage Waxberry-like Fe_(3)O_(4) Destabilization Catalysis

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Editorial for multiscale&multifield Coupling in Geomechanics

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Journal of Rock mechanics and Geotechnical Engineering 2024年第6期16卷 1919-1921页

作者： min Wang Pengzhi Pan Andrew H.C.Chan y.T.feng T-3 Fluid Dynamics and Solid mechanics Theoretical DivisionLos Alamos National LaboratoryNew MexicoUSA Institute of Rock and Soil mechanics Chinese Academy of SciencesWuhanChina School of Engineering University of TasmaniaTasmaniaAustralia College of Engineering Swansea UniversityWalesUK

We are delighted to serve as guest editors for this special issue in the Journal of Rock mechanics and Geotechnical *** purpose of this special issue is dedicated to gathering the latest research work on multiscale&multifield Coupling in Geomechanics,where we delve into the intricate interplay of various fields and scales that govern the behavior of *** total,30 manuscripts from USA,China,UK,Germany,Canada,India and United Arab Emirates are selected to be included in this issue.

关键词： materials. gathering mechanics

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