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Autonomous scanning probe microscopy investigations over WS_(2)and Au{111}

npj Computational Materials 2022年第1期8卷 916-922页

作者： John C.Thomas Antonio Rossi darian Smalley Luca Francaviglia Zhuohang Yu Tianyi Zhang Shalini Kumari Joshua A.Robinson Mauricio Terrones Masahiro Ishigami Eli Rotenberg Edward S.Barnard Archana Raja Ed Wong d.frank ogletree Marcus M.Noack Alexander Weber-Bargioni Molecular Foundry Lawrence Berkeley National LaboratoryBerkeleyCA94720United States Advanced Light Source Lawrence Berkeley National LaboratoryBerkeleyCA94720United States department of Physics and NanoScience Technology Center University of Central FloridaOrlandoFL32816United States department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA16082United States Center for Two-dimensional and Layered Materials The Pennsylvania State UniversityUniversity ParkPA16802United States department of Physics and department of Chemistry The Pennsylvania State UniversityUniversity ParkPA16802United States Center for Advanced Mathematics for Energy Research Applications Lawrence Berkeley National LaboratoryBerkeleyCA94720United States

Individual atomic defects in 2d materials impact their macroscopic *** the interplay is challenging,however,intelligent hyperspectral scanning tunneling spectroscopy(STS)mapping provides a feasible solution to this technically difficult and time consuming ***,dense spectroscopic volume is collected autonomously via Gaussian process regression,where convolutional neural networks are used in tandem for spectral *** data enable defect segmentation,and a workflow is provided for machine-driven decision making during experimentation with capability for user *** provide a means towards autonomous experimentation for the benefit of both enhanced reproducibility and *** investigations on WS_(2)sulfur vacancy sites are explored,which is combined with local density of states confirmation on the Au{111}herringbone *** vacancies,pristine WS_(2),Au face-centered cubic,and Au hexagonal close-packed regions are examined and detected by machine learning methods to demonstrate the potential of artificial intelligence for hyperspectral STS mapping.

关键词： autonomous consuming packed

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Physics-constrained graph modeling for building thermal dynamics

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Energy and AI 2024年第2期16卷 150-157页

作者： Ziyao Yang Amol d.Gaidhane Ján drgoňa Vikas Chandan Mahantesh M.Halappanavar frank Liu Yu Cao School of Electrical Computer and Energy EngineeringArizona State UniversityTempeAZ 85287USA Pacific Northwest National Laboratory RichlandWA 99354USA Oak Ridge National Laboratory Oak RidgeTN 37830USA

In this paper,we propose a graph model embedded with compact physical equations for modeling the thermal dynamics of *** principles of heat flow across various components in the building,such as walls and doors,fit the message-passing strategy used by Graph Neural networks(GNNs).The proposed method is to represent the multi-zone building as a graph,in which only zones are considered as nodes,and any heat flow between zones is modeled as an edge based on prior knowledge of the building ***,the thermal dynamics of these components are described by compact models in the *** are further employed to train model parameters from collected *** model training,our proposed method enforces physical constraints(e.g.,zone sizes and connections)on model parameters and propagates the penalty in the loss function of *** constraints are essential to ensure model robustness and *** evaluate the effectiveness of the proposed modeling approach on a realistic dataset with multiple *** results demonstrate a satisfactory accuracy in the prediction of multi-zone ***,we illustrate that the new model can reliably learn hidden physical parameters with incomplete data.

关键词： Physics-constrained learning Graph Neural Networks Compact model Building thermal dynamics

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Error-based adaptive optimal tracking control of nonlinear discrete-time systems

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Science China(Information Sciences) 2024年第1期67卷 154-167页

作者： Chun LI Jinliang dING frank L.LEWIS Tianyou CHAI State Key Laboratory of Synthetical Automation for Process Industries Northeastern University UTA Research Institute The University of Texas at Arlington

In this paper,for the output tracking problem of nonlinear discrete-time systems,a performance index is newly defined using the adaptive dynamic programming(AdP) technique to completely eliminate tracking errors in *** contrast to traditional definitions of performance indices in other AdP-based methods,the proposed performance index is not only designed from the perspective of output tracking errors but also introduced errors of system states and control inputs at adjacent stages,which is suitable for practical situations in many industrial applications,such as the alumina production,the flotation process,and the mineral grinding *** proved that the obtained controller can make the system output fully track the given reference trajectory by applying the iterative criteria of the AdP *** addition,the proposed algorithm was implemented using a data-driven technique and neural networks to avoid analyzing and deducing the complicated dynamics of actual industrial ***,using historical data for a forced-circulation evaporation system in the alumina production process,the effect of the proposed approach was verified through a numerical simulation and compared with that of the proportional-integral controller.

关键词： adaptive dynamic programming iterative criteria performance index tracking errors tracking problem

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Recent Progress in Reinforcement Learning and Adaptive dynamic Programming for Advanced Control Applications

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IEEE/CAA Journal of Automatica Sinica 2024年第1期11卷 18-36页

作者： ding Wang Ning Gao derong Liu Jinna Li frank L.Lewis IEEE the Faculty of Information Technology Beijing Key Laboratory of Computational Intelligence and Intelligent SystemBeijing Laboratory of Smart Environmental Protectionand Beijing Institute of Artificial IntelligenceBeijing University of TechnologyBeijing 100124China the School of System design and Intelligent Manufacturing Southern University of Science and TechnologyShenzhen 518055China the department of Electrical and Computer Engineering University of Illinois at ChicagoChicago IL 60607 USA the School of Information and Control Engineering Liaoning Petrochemical UniversityFushun 113001China the UTA Research Institute the University of Texas at ArlingtonArlington TX 76118 USA

Reinforcement learning(RL) has roots in dynamic programming and it is called adaptive/approximate dynamic programming(AdP) within the control community. This paper reviews recent developments in AdP along with RL and its applications to various advanced control fields. First, the background of the development of AdP is described, emphasizing the significance of regulation and tracking control problems. Some effective offline and online algorithms for AdP/adaptive critic control are displayed, where the main results towards discrete-time systems and continuous-time systems are surveyed, ***, the research progress on adaptive critic control based on the event-triggered framework and under uncertain environment is discussed, respectively, where event-based design, robust stabilization, and game design are reviewed. Moreover, the extensions of AdP for addressing control problems under complex environment attract enormous attention. The AdP architecture is revisited under the perspective of data-driven and RL frameworks,showing how they promote AdP formulation ***, several typical control applications with respect to RL and AdP are summarized, particularly in the fields of wastewater treatment processes and power systems, followed by some general prospects for future research. Overall, the comprehensive survey on AdP and RL for advanced control applications has d emonstrated its remarkable potential within the artificial intelligence era. In addition, it also plays a vital role in promoting environmental protection and industrial intelligence.

关键词： Adaptive dynamic programming(AdP) advanced control complex environment data-driven control event-triggered design intelligent control neural networks nonlinear systems optimal control reinforcement learning(RL)

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Artificial intelligence meets body sense: task-driven neural networks reveal computational principles of the proprioceptive pathway

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Signal Transduction and Targeted Therapy 2024年第8期9卷 3147-3149页

作者： Leonard E.van dyck frank Bremmer Katharina dobs department of Psychology Justus Liebig University GiessenGiessenGermany Max Planck Institute for Human Cognitive and Brain Sciences LeipzigGermany Center for Mind Brain and BehaviorUniversities of MarburgGiessenand DarmstadtMarburgGermany department of Neurophysics Philipps-Universitat MarburgMarburgGermany

In a recent study published in Cell,Marin Vargas and Bisi et al.1 present an innovative approach to unravel the computational principles underlying proprioceptive processing in non-human *** findings showcase the utility of task-driven modeling in advancing neuroscience and offer translational potential by providing seminal insights into the goals and mechanisms by which the brain encodes body position and movements.

关键词： networks neural principles

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Graphene-calcium carbonate coating to improve the degradation resistance and mechanical integrity of a biodegradable implant

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Journal of Magnesium and Alloys 2024年第1期12卷 394-404页

作者： Lokesh Choudhary Parama Chakraborty Banerjee R.K.Singh Raman derrek E.Lobo Christopher d.Easton Mainak Majumder frank Witte Jörg F.Löffler department of Mechanical and Aerospace Engineering Monash UniversityClayton CampusMelbourneVIC 3800Australia department of Chemical and Biological Engineering Monash UniversityClayton CampusMelbourneVIC 3800Australia Nanoscale Science and Engineering Laboratory(NSEL) Bldg 37Monash UniversityClayton CampusMelbourneVIC 3800Australia CSIRO Materials Science and Engineering Bayview AvenueClaytonVIC 3168Australia Julius Wolff Institute and Berlin Brandenburg Center for Regenerative Therapies Charité–Universitätsmedizin BerlinAugustenburger Platz 113353 BerlinGermany Laboratory of Metal Physics and Technology Department of MaterialsETH Zurich8093 ZurichSwitzerland

Biodegradable implants are critical for regenerative orthopaedic procedures,but they may suffer from too fast corrosion in human-body *** necessitates the synthesis of a suitable coating that may improve the corrosion resistance of these implants without compromising their mechanical *** this study,an AZ91 magnesium alloy,as a representative for a biodegradable Mg implant material,was modified with a thin reduced graphene oxide(RGO)-calcium carbonate(CaCO_(3))composite *** analytical and in-vitro electrochemical characterization reveals that this coating significantly improves the corrosion resistance and mechanical integrity,and thus has the potential to greatly extend the related application field.

关键词： Graphene coating Biodegradable implant Hydroxyapatite Corrosion Magnesium alloy

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Multifunctional SnO_(2) Qds/MXene Heterostructures as Laminar Interlayers for Improved Polysulfide Conversion and Lithium Plating Behavior

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Nano-Micro Letters 2024年第11期16卷 156-169页

作者： Shungui deng Weiwei Sun Jiawei Tang Mohammad Jafarpour frank Nüesch Jakob Heier Chuanfang Zhang College of Materials Science and Engineering Sichuan UniversityChengdu 610065People’s Republic of China Laboratory for Functional Polymers Swiss Federal Laboratories for Materials Science and Technology(EMPA)Überlandstrasse 1298600 DübendorfSwitzerland Institute of Materials Science and Engineering Ecole Polytechnique Fédérale de Lausanne(EPFL)Station 121015 LausanneSwitzerland Key Laboratory of Quantum Materials and devices of Ministry of Education School of PhysicsSoutheast UniversityNanjing 211189People’s Republic of China SEU‑FEI Nano‑Pico Center Key Laboratory of MEMS of Ministry of EducationSoutheast UniversityNanjing 210096People’s Republic of China

Poor cycling stability in lithium–sulfur(Li–S)batteries necessitates advanced electrode/electrolyte design and innovative interlayer *** catalysis has emerged as a promising approach,leveraging the adsorption and catalytic performance on lithium polysulfides(LiPSs)to inhibit LiPSs shuttling and improve redox *** this study,we report an ultrathin and laminar SnO_(2)@MXene heterostructure interlayer(SnO_(2)@MX),where SnO_(2) quantum dots(Qds)are uniformly distributed across the MXene *** combined structure of SnO_(2) Qds and MXene,along with the creation of numerous active boundary sites with coordination electron environments,plays a critical role in manipulating the catalytic kinetics of sulfur *** Li–S cell with the SnO_(2)@MX-modified separator not only demonstrates superior electrochemical performance compared to cells with a bare separator but also induces homogeneous Li deposition during *** a result,an areal capacity of 7.6 mAh cm^(-2) under a sulfur loading of 7.5 mg cm^(-2) and a high stability over 500 cycles are *** work demonstrates a feasible strategy of utilizing a laminar separator interlayer for advanced Li–S batteries awaiting commercialization and may shed light on the understanding of heterostructure catalysis with enhanced reaction kinetics.

关键词： Lithium-sulfur battery Heterogeneous catalysis Heterostructure Redox kinetics Lithium dendrites

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Experimental and numerical investigation to elucidate the fluid flow through packed beds with structured particle packings

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Particuology 2024年第6期89卷 218-237页

作者： Shirin Patil Christian Gorges Joel Lòpez Bonilla Moritz Stelter frank Beyrau Berend van Wachem Laboratory of Technical Thermodynamics Otto-von-Guericke-Universität MagdeburgUniversitätsplatz 239106 MagdeburgGermany Chair of Mechanical Process Engineering Otto-von-Guericke-Universität MagdeburgUniversitätsplatz 239106 MagdeburgGermany

The present paper presents an experimental and numerical investigation of the dispersion of the gaseous jet flow and co-flow for the simple unit cell(SUC)and body-centred cubic(BCC)configuration of particles in packed *** experimental setup is built in such a way that suitable and simplified boundary conditions are imposed for the corresponding numerical framework,so the simulations can be done under very similar conditions as the ***,a porous plate is used for the co-flow to achieve the uniform velocity and the fully developed flow is ensured for the jet *** SUC and BCC particle beds consist of 3d-printed spheres,and the non-isotropy near the walls is mostly eliminated by placing half-spheres at the channel *** flow velocities are analysed directly at the exit of the particle bed for both beds over 36 pores for the SUC configuration and 60 pores for the BCC configuration,for particle Reynolds numbers of 200,300,and *** particle image velocimetry is experimentally arranged in such a way that the velocities over the entire region at the exit of the packed bed are obtained *** numerical method consists of a state-of-the-art immersed boundary method with adaptive mesh *** paper presents the pore jet structure and velocity field exiting from each pore for the SUC and BCC packed particle *** numerical and experimental studies show a good agreement for the SUC configuration for all flow *** the BCC configuration,some differences can be observed in the pore jet flow structure between the simulations and the experiments,but the general flow velocity distribution shows a good overall *** axial velocity is generally higher for the pores located near the centre of the packed bed than for the pores near the *** addition,the axial velocities are observed to increase near the peripheral pores of the packed *** behaviour is predominant for the BCC configuration as compared to t

关键词： Uniform particle packing Packed bed reactor Stereo particle image velocimetry Immersed boundary method

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Numerical study of convective heat transfer in static arrangements of particles with arbitrary shapes:A monolithic hybrid lattice Boltzmann-finite difference-phase field solver

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Particuology 2024年第2期85卷 186-197页

作者： Reza Namdar Mohammadhassan Khodsiani Hesameddin Safari Tanya Neeraj Seyed Ali Hosseini frank Beyrau Benoit Fond dominique Thevenin Fathollah Varnik Interdisciplinary Centre for Advanced Materials Simulation(ICAMS) Ruhr-University BochumBochum44801Germany Laboratory of Technical Thermodynamics University of Magdeburg"Otto von Guericke"Magdeburg39106Germany Laboratory of Fluid dynamics and Technical Flows University of Magdeburg"Otto von Guericke"MagdeburgD-39106Germany department of Mechanical and Process Engineering ETH ZurichZurich8092Switzerland ONERA The French Aerospace Lab Department of AerodynamicsAeroelasticity and Acoustics(DAAA)Paris-Saclay UniversityMeudon92190France

A compressible lattice Boltzmann-finite difference method is extended by the phase-field approach into a monolithic scheme to study fluid flow and heat transfer through regular arrangements of solid bodies of circular,elliptical and irregular *** advantage of using the phase-field method is demon-strated both in its simplicity of accounting for flow and thermal boundary conditions at solid surfaces with irregular shapes and in the capability of generating such complex-shaped *** an array of discs,numerical results for the overall solid-to-gas heat transfer rate are validated via experiments on flow through arrays of hot *** thus validated compressible LB-Fd-PF hybrid scheme is used to study the dependence of heat transfer on flow and thermal boundary conditions(Reynolds number,temperature difference between the hot solid bodies and the inlet gas),porosity as well as on the shape of solid *** are rationalized in terms of the residence time of the gas close to the solid body and downstream variations of gas velocity and *** for further applications of the proposed methodology are also discussed.

关键词： Lattice Boltzmann method Finite difference scheme Convective heat transfer diffuse interface Thermal compressible flow

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Anomalous Laterally Stressed Kinetically Trapped dNA Surface Conformations

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Nano-Micro Letters 2021年第8期13卷 263-280页

作者： Valery V.Prokhorov Nikolay A.Barinov Kirill A.Prusakov Evgeniy V.dubrovin Maxim d.frank-Kamenetskii dmitry V.Klinov Federal Research and Clinical Center of Physical-Chemical Medicine Malaya Pirogovskaya1aMoscow 119435Russian Federation A.N.Frumkin Institute of Physical Chemistry and Electrochemistry RASLeninsky prospect Moscow 199071 Russian Federation 3 Moscow Institute of Physics and TechnologyInstitutskiy per.9Dolgoprudny141700 MoscowRussian Federation Lomonosov Moscow State University Leninskie gory1-2Moscow 119991Russian Federation department of Biomedical Engineering Boston University44 Cummington MallBoston MA02215USA

Up to now,the dNA molecule adsorbed on a surface was believed to always preserve its native *** belief implies a negligible contribution of lateral surface forces during and after dNA adsorption although their impact has never been ***-resolution atomic force microscopy was used to observe that stiff dNA molecules kinetically trapped on monomolecular films comprising one-dimensional periodically charged lamellar templates as a single layer or as a sublayer are oversaturated by sharp discontinuous kinks and can also be locally melted and *** argue that kink/anti-kink pairs are induced by an overcritical lateral bending stress(>30 pNnm)inevitable for the highly anisotropic 1d-1d electrostatic interaction of dNA and underlying rows of positive surface *** addition,the unexpected kink-inducing mechanical instability in the shape of the template-directed dNA confined between the positively charged lamellar sides is observed indicating the strong impact of *** previously reported anomalously low values of the persistence length of the surface-adsorbed dNA are explained by the impact of the surface-induced low-scale *** sites of the local melting and supercoiling are convincingly introduced as other lateral stress-induced structural dNA anomalies by establishing a link with dNA high-force *** results open up the study in the completely unexplored area of the principally anomalous kinetically trapped dNA surface conformations in which the dNA local mechanical response to the surface-induced spatially modulated lateral electrostatic stress is essentially *** underlying rich and complex in-plane nonlinear physics acts at the nanoscale beyond the scope of applicability of the worm-like chain approximation.

关键词： dNA surface conformations Kinetic trapping Lateral stress Periodically charged surface dNA kinks

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