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Electrode models in electrical impedance tomography 被引量:1
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作者 WANG M. 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2005年第12期1386-1393,共8页
This paper presents different views on electrode modelling, which include electrode electrochemistry models for modelling the effects of electrode-electrolyte interface, electric field electrode models for modelling e... This paper presents different views on electrode modelling, which include electrode electrochemistry models for modelling the effects of electrode-electrolyte interface, electric field electrode models for modelling electrode geometry, and electrode models for modelling the effects of electrode common mode voltage and double layer capacitance. Taking the full electrode models into consideration in electrical impedance tomography (EIT) will greatly help the optimised approach to a good solution and further understanding of the measurement principle. 展开更多
关键词 Electrical impedance tomography (EIT) ELECTROCHEMISTRY electrode modelling
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Nonlinear Electrical Impedance Tomography Method Using a Complete Electrode Model for the Characterization of Heterogeneous Domains
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作者 Jeongwoo Park Bong-Gu Jung Jun Won Kang 《Computer Modeling in Engineering & Sciences》 SCIE EI 2023年第3期1707-1735,共29页
This paper presents an electrical impedance tomography(EIT)method using a partial-differential-equationconstrained optimization approach.The forward problem in the inversion framework is described by a complete electr... This paper presents an electrical impedance tomography(EIT)method using a partial-differential-equationconstrained optimization approach.The forward problem in the inversion framework is described by a complete electrodemodel(CEM),which seeks the electric potential within the domain and at surface electrodes considering the contact impedance between them.The finite element solution of the electric potential has been validated using a commercial code.The inverse medium problem for reconstructing the unknown electrical conductivity profile is formulated as an optimization problem constrained by the CEM.The method seeks the optimal solution of the domain’s electrical conductivity to minimize a Lagrangian functional consisting of a least-squares objective functional and a regularization term.Enforcing the stationarity of the Lagrangian leads to state,adjoint,and control problems,which constitute the Karush-Kuhn-Tucker(KKT)first-order optimality conditions.Subsequently,the electrical conductivity profile of the domain is iteratively updated by solving the KKT conditions in the reduced space of the control variable.Numerical results show that the relative error of the measured and calculated electric potentials after the inversion is less than 1%,demonstrating the successful reconstruction of heterogeneous electrical conductivity profiles using the proposed EIT method.This method thus represents an application framework for nondestructive evaluation of structures and geotechnical site characterization. 展开更多
关键词 Electrical impedance tomography complete electrode model inverse medium problem Karush-Kuhn-Tucker(KKT)optimality conditions nondestructive evaluation of structures
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A Gradient Model for Young's Modulus and Surface Electrode Resistance of Ionic Polymer-Metai Composite 被引量:1
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作者 H.G.Liu K.Xiong M.Wang 《Acta Mechanica Solida Sinica》 SCIE EI CSCD 2019年第6期754-766,共13页
A new model is proposed to estimate Young's modulus and surface electrode resistance of the ionic polymer-metai composite(IPMC)with a gradient distribution of micros true ture.The entire IPMC electrode is divided ... A new model is proposed to estimate Young's modulus and surface electrode resistance of the ionic polymer-metai composite(IPMC)with a gradient distribution of micros true ture.The entire IPMC electrode is divided into two parts,i.e.,the porous metal electrode and the gradient polymer-metai composite electrode,according to the geometrie properties of the electroless plated metal electrode.The validity and accuracy of the model are justified by comparing with the experimental observations of IPMC samples.The differences between model predictions and experimental data of Young's modulus and surface resistance of IPMC samples are+6.8%and-5.5%,respectively,indicating a reasonably good agreement. 展开更多
关键词 Ionic polymer-metai composite Gradient electrode model Young's modulus RESISTANCE
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Modeling of electrode system for three-phase electric arc furnace 被引量:6
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作者 王琰 毛志忠 +2 位作者 田惠欣 李妍 袁平 《Journal of Central South University》 SCIE EI CAS 2010年第3期560-565,共6页
To simulate the process of electrode operation, a dynamic model describing the electrode system of three-phase electric arc furnace was developed. This new model can be divided into three submodels in terms of the pra... To simulate the process of electrode operation, a dynamic model describing the electrode system of three-phase electric arc furnace was developed. This new model can be divided into three submodels in terms of the practical situation. They are the power supply system model the electric arc model and the hydraulic actuator system model. According to the basic circuit theory, the power supply system model where the high voltage transmission circuit and mutual inductances were considered, was set up. The electric arc model, which was novel for the electrode control, served as the electrical load and was connected to the power supply system model. The hydraulic actuator system model consists of the proportional valve part that is modeled to capture the dead-zone nonlinear characteristics and the hydraulic cylinder part where the impact of the load force is taken into account. By comparing simulation data and actual data, the results show that the electrode system model is proved to be accurate. 展开更多
关键词 electric arc furnace electrode system model electric arc model SIMULATION
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Analytical modeling and simulation of porous electrodes: Li-ion distribution and diffusion-induced stress 被引量:6
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作者 Liang Ji Zhansheng Guo 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2018年第1期187-198,共12页
A new model of porous electrodes based on the Gibbs free energy is developed, in which lithium-ion(Liion) diffusion, diffusion-induced stress(DIS), Butler–Volmer(BV) reaction kinetics, and size polydispersity of elec... A new model of porous electrodes based on the Gibbs free energy is developed, in which lithium-ion(Liion) diffusion, diffusion-induced stress(DIS), Butler–Volmer(BV) reaction kinetics, and size polydispersity of electrode particles are considered. The influence of BV reaction kinetics and concentration-dependent exchange current density(ECD) on concentration profile and DIS evolution are numerically investigated. BV reaction kinetics leads to a decrease in Li-ion concentration and DIS. In addition, concentrationdependent ECD results in a decrease in Li-ion concentration and an increase in DIS. Size polydispersity of electrode particles significantly affects the concentration profile and DIS.Optimal macroscopic state of charge(SOC) should consider the influence of the microscopic SOC values and mass fractions of differently sized particles. 展开更多
关键词 New model of porous electrode Butler–Volmer reaction kinetics Size polydispersity Exchange current density Li-ion concentration distribution Diffusioninduced stress
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Optimization of LiMn_2O_4 electrode properties in a gradient-and surrogate-based framework 被引量:1
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作者 Wenbo Du Nansi Xue +3 位作者 Amit Gupta Ann M.Sastry Joaquim R.R.A.Martins Wei Shyy 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2013年第3期335-347,共13页
In this study, the effects of discharge rate and LiMn2O4 cathode properties (thickness, porosity, particle size, and solid-state diffusivity and conductivity) on the gravimetric energy and power density of a lithium... In this study, the effects of discharge rate and LiMn2O4 cathode properties (thickness, porosity, particle size, and solid-state diffusivity and conductivity) on the gravimetric energy and power density of a lithium-ion battery cell are analyzed simultaneously using a cell-level model. Surrogate-based analysis tools are applied to simulation data to construct educed-order models, which are in turn used to perform global sensitivity analysis to compare the relative importance of cathode properties. Based on these results, the cell is then optimized for several distinct physical scenarios using gradient-based methods. The comple-mentary nature of the gradient-and surrogate-based tools is demonstrated by establishing proper bounds and constraints with the surrogate model, and then obtaining accurate optimized solutions with the gradient-based optimizer. These optimal solutions enable the quantification of the tradeoffs between energy and power density, and the effect of optimizing the electrode thickness and porosity. In conjunction with known guidelines, the numerical optimization frame-work developed herein can be applied directly to cell and pack design. 展开更多
关键词 Lithiumion battery OPTIMIZATION Surrogate modeling Porous electrode model
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Constant charge method or constant potential method:Which is better for molecular modeling of electrical double layers? 被引量:1
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作者 Liang Zeng Xi Tan +5 位作者 Xiangyu Ji Shiqi Li Jinkai Zhang Jiaxing Peng Sheng Bi Guang Feng 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第7期54-60,共7页
In molecular modeling of electrical double layers(EDLs),the constant charge method(CCM)is prized for its computational efficiency but cannot maintain electrode equipotentiality like the more resourceintensive constant... In molecular modeling of electrical double layers(EDLs),the constant charge method(CCM)is prized for its computational efficiency but cannot maintain electrode equipotentiality like the more resourceintensive constant potential method(CPM),potentially leading to inaccuracies.In certain scenarios,CCM can yield results identical to CPM.However,there are no clear guidelines to determine when CCM is sufficient and when CPM is required.Here,we conduct a series of molecular simulations across various electrodes and electrolytes to present a comprehensive comparison between CCM and CPM under different charging modes.Results reveal that CCM approximates CPM effectively in capturing equilibrium EDL and current-driven dynamics in open electrode systems featuring ionic liquids or regular concentration aqueous electrolytes,while CPM is indispensable in scenarios involving organic and highly concentrated aqueous electrolytes,nanoconfinement effects,and voltage-driven dynamics.This work helps to select appropriate methods for modeling EDL systems,prioritizing accuracy while considering computationalefficiency. 展开更多
关键词 Electrochemical interface Molecular dynamics electrode polarization modeling Nanoconfinement effect
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Efficient Thickness of Solid Oxide Fuel Cell Composite Electrode
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作者 蒋治亿 夏长荣 陈仿林 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第2期217-225,I0002,共10页
The efficient thickness of a composite electrode for solid oxide fuel cells was directly calculated by developing a physical model taking into account of the charge transfer process, the oxygen ion and electron transp... The efficient thickness of a composite electrode for solid oxide fuel cells was directly calculated by developing a physical model taking into account of the charge transfer process, the oxygen ion and electron transportation, and the microstructure characteristics of the electrode. The efficient thickness, which is defined as the electrode thickness corresponding to the minimum electrode polarization resistance, is formulated as a function of charge transfer resistivity, effective resistivity to ion and electron transport, and three-phase boundary length per unit volume. The model prediction is compared with the experimental reports to check the validity. Simulation is performed to show the effect of microstructure, intrinsic material properties, and electrode reaction mechanism on the efficient thickness. The results suggest that when an electrode is fabricated, its thickness should be controlled regarding its composition, particle size of its components, the intrinsic ionic and electronic conductivities,and its reaction mechanisms as well as the expected operation temperatures. The sensitivity of electrode polarization resistance to its thickness is also discussed. 展开更多
关键词 Composite electrode Solid oxide fuel cell Thickness modeling Ionic conduc-tivity
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Predicting practical reduction potential of electrolyte solvents via computational hydrogen electrode and interpretable machine-learning models
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作者 Zonglin Yi Yi Zhou +6 位作者 Hao Liu Li Li Yan Zhao Jiayuan Li Yixuan Mao Fangyuan Su Cheng-Meng Chen 《npj Computational Materials》 2025年第1期1469-1479,共11页
Accurate prediction of practical reduction electrode potentials(Ered)of electrolyte solvents of electrochemical energy storage devices relies on calculating the Gibbs free energy in their reduction reaction.However,th... Accurate prediction of practical reduction electrode potentials(Ered)of electrolyte solvents of electrochemical energy storage devices relies on calculating the Gibbs free energy in their reduction reaction.However,the emergence of new electrolyte solvents and additives leaves most of the reaction mechanisms unveiled.Here,we provide a machine-learning-assisted workflow of thermodynamically quantified Ered prediction for electrolyte solvents.A computational hydrogen electrode model based on density functional theory calculation is generalized for calculating the reaction free energy of electrochemical elementary steps.Machine-learning models are trained based on the organic and inorganic electrolyte solvents that possess experimentally identified reduction mechanisms.Validation of the best-scoring model is conducted by experimental validation of 6 additional solvents.Multiple thermodynamics features are found impactful on Ered through different chemical bonding with reaction intermediates.This workflow enables accurate Ered prediction for electrolyte solvents without identified reduction mechanisms,and is widely applicable in the electrochemical energy storage area. 展开更多
关键词 thermodynamically quantified ered computational hydrogen electrode model calculating gibbs free energy reaction mechanisms electrolyte solvents electrochemical energy storage devices reduction reactionhoweverthe practical reduction electrode potentials ered
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Study on the Generation Characteristics of Dielectric Barrier Discharge Plasmas on Water Surface
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作者 刘文正 李传辉 《Plasma Science and Technology》 SCIE EI CAS CSCD 2014年第1期26-31,共6页
A new contact glow discharge electrode employed in this study. Because of the strong field the electrode and the water surface, glow discharge on the surface of water was designed and strength in the small air gap for... A new contact glow discharge electrode employed in this study. Because of the strong field the electrode and the water surface, glow discharge on the surface of water was designed and strength in the small air gap formed by plasmas were generated and used to treat waste water. The electric field distribution of the designed electrode model was simulated by MAXWELL 3D~ simulation software, and the discharge parameters were measured. Through a series of experiments, we investigated the impact of optimal designs, such as the dielectric of the electrode, immersion depths, and curvature radii of the electrode on the generation characteristics of plasmas. In addition, we designed an equipotential multi-electrode configuration to treat a Methyl Violet solution and observe the discoloration effect. The experimental and simulation results indicate that the designed electrodes can realize glow discharge with a relative low voltage, and the generated plasmas covered a large area and were in stable state. The efficiency of water treatment is improved and optimized with the designed electrodes. 展开更多
关键词 water surface PLASMA electrode model dielectric barrier discharge electric field
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A theoretical and experimental study on CO_(2) reduction selectivity of Mo_(2)CT_(x) MXene catalysts:Influence of surface termination
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作者 Caihong Liang Zhonghan Zhang +6 位作者 Teddy Salim Zhihao Yen Daniel Yongyi Goh Lydia Helena Wong Zheng Liu Liang Wang Yeng Ming Lam 《Nano Research》 2026年第2期1113-1122,共10页
Understanding the relationship between CO_(2) reduction reaction(CO_(2)RR)performance and surface terminations of MXenes is crucial for designing effective electrocatalysts.This study explores the impact of common ter... Understanding the relationship between CO_(2) reduction reaction(CO_(2)RR)performance and surface terminations of MXenes is crucial for designing effective electrocatalysts.This study explores the impact of common terminations on Mo_(2)CT_(x) using a computational hydrogen electrode(CHE)model integrated with a pseudo-microkinetic model(pseudo-MM).Unlike traditional CHE methods,CHE/pseudo-MM considers the energy differences of all steps,providing a comprehensive view of CO_(2)RR mechanisms while reducing computational cost generated from calculating transitional state.The electrolyte is considered as acetonitrile with 1-ethyl-3-methylimidazolium tetra-fluoroborate(EMIMBF_(4))to inhibit the generation of hydrogen.Theoretical predictions reveal surface terminations dictate the selectivity of C_(1) products,whose proton is provided by EMIMBF_(4).The selectivity for fully-F,-O-and-OH-terminated Mo_(2)CT_(x) surfaces varies with the applied potential,as confirmed by experiments.Electrochemical CO_(2)RR in acetonitrile with EMIMBF_(4) electrolyte confirms these predictions,showing that CH_(4) outperforms CO and gradually becomes the dominant product as the applied potential increases.These findings demonstrate the qualitative accuracy of the proposed CHE/pseudo-MM for predicting CO_(2)RR selectivity,particularly for gaseous products,over Mo_(2)CT_(x) systems. 展开更多
关键词 C_(1)selectivity acetonitrile/1-ethyl-3-methylimidazolium tetra-fluoroborate(EMIMBF_(4))electrolyte Mo_(2)CT_(x)MXene systems computational hydrogen electrode model pseudo-microkinetic model
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Molecular glucose imaging reveals functional brain reconfiguration by subthalamic deep brain stimulation in Parkinsonian rats
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作者 Jiazhi Chen Ningfei Li +4 位作者 Muthuraman Muthuraman Nengxing Liang Jens Volkmann Takahiro Higuchi Chi Wang Ip 《Translational Neurodegeneration》 2025年第1期1122-1136,共15页
Background In order to elucidate the neuromodulatory mechanisms underlying therapeutic subthalamic deep brain stimulation(DBS),we here reverse-translate a methodological pipeline that integrates neurostimulation effec... Background In order to elucidate the neuromodulatory mechanisms underlying therapeutic subthalamic deep brain stimulation(DBS),we here reverse-translate a methodological pipeline that integrates neurostimulation effect parameterization and molecular imaging.Methods 18F-fluorodeoxyglucose positron emission tomography was performed in a human-mimicking A53T alphasynuclein Parkinson’s disease rat model and in control rats under both stimulation ON and OFF conditions,with additional CT scans acquired for each rat.Patient-derived approaches—including electrode modeling,electric field estimation,and volume of tissue activated measurement—were applied to assess stimulation effects at the stimulation spot.Results We revealed consistent hypometabolism in the ipsilateral subthalamic nucleus,substantia nigra,zona incerta,cerebellum,and entopeduncular nucleus,alongside hypermetabolism in the ipsilateral lateral caudate putamen and globus pallidus externus in A53T rats at the OFF condition.Subthalamic DBS improved motor dysfunction and induced specific metabolic responses that differentiated from controls,including increased metabolism in the ipsilateral subthalamic nucleus,substantia nigra,and zona incerta,and decreased metabolism in the bilateral primary motor and somatosensory area,lateral caudate putamen,and contralateral secondary motor area.Conclusions Therapeutic subthalamic DBS activates the target region and modulates global brain function by restoring OFF-state hypometabolism in the ipsilateral subthalamic–substantia nigra loop and by reducing metabolic activity in the bilateral cortico-striatal circuitry.A reverse-translational pipeline is established to study stimulation-induced modulation of brain function,integrating a novel positron emission tomography template aligned with the Waxholm space of Sprague–Dawley rats. 展开更多
关键词 Reverse-translation Deep brain stimulation Alpha-synuclein Positron emission tomography Glucose metabolism electrode modeling Electric field Volume of tissue activated
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