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
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
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
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
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
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
基金funded by the National Research Foundation of Korea,the Grant from a Basic Science and Engineering Research Project(NRF-2017R1C1B200497515)and the Grant from Basic Laboratory Support Project(NRF-2020R1A4A101882611).
文摘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.
基金the funding support from the National Natural Science Foundation of China(T2325012 and 52161135104)the Program for HUST Academic Frontier Youth Team.
文摘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.
基金financial support by the National Natural Science Foundation of China (Grants 11472165, 11332005)
文摘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.
基金supported by the General Motors and University of Michigan Advanced Battery Coalition for Drivetrains (ABCD)
文摘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.
基金supported by the National Natural Science Foundation of China[Grant Nos.11372132 and 11502109].
文摘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.
文摘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.