51 citations · 150 across the 19 of their papers we have counts for
19 papers
Local Structure-Preserving Relaxation Method for Charged Systems on Unstructured Meshes
Zhonghua Qiao, Zhenli Xu, Qian Yin +1
This work considers charged systems described by the modified Poisson--Nernst--Planck (PNP) equations, which incorporate ionic steric effects and the Born solvation energy for diel…
Second-order, Positive, and Unconditional Energy Dissipative Scheme for Modified Poisson-Nernst-Planck Equations
Jie Ding, Shenggao Zhou
First-order energy dissipative schemes in time are available in literature for the Poisson-Nernst-Planck (PNP) equations, but second-order ones are still in lack. This work propose…
How Thermal Effect Regulates Cyclic Voltammetry of Supercapacitors
Teng Zhao, Shuangliang Zhao, Shenggao Zhou +1
Cyclic voltammetry (CV) is a powerful technique for characterizing electrochemical properties of electrochemical devices. During charging-discharging cycles, thermal effect has pro…
Asymptotic analysis on charging dynamics for stack-electrode model of supercapacitors
Lijie Ji, Zhenli Xu, Shenggao Zhou
Supercapacitors are promising electrochemical energy storage devices due to their prominent performance in rapid charging/discharging rates, long cycle life, stability, etc. Experi…
A second order accurate numerical method for the Poisson-Nernst-Planck system in the energetic variational formulation
Chun Liu, Cheng Wang, Steven M. Wise +2
A second order accurate (in time) numerical scheme is proposed and analyzed for the Poisson-Nernst-Planck equation (PNP) system, reformulated as a non-constant mobility gr…
Energetic Variational Approach for Prediction of Thermal Electrokinetics in Charging and Discharging Processes of Electrical Double Layer Capacitors
Xiang Ji, Chun Liu, Pei Liu +1
This work proposes a new variational, thermodynamically consistent model to predict thermal electrokinetics in electric double layer capacitors (EDLCs) by using an energetic variat…
Structure-preserving numerical method for Maxwell-Ampère Nernst-Planck model
Zhonghua Qiao, Zhenli Xu, Qian Yin +1
Charge dynamics play essential role in many practical applications such as semiconductors, electrochemical devices and transmembrane ion channels. A Maxwell-Ampère Nernst-Planck (M…
Convergence Analysis of Structure-Preserving Numerical Methods Based on Slotboom Transformation for the Poisson--Nernst--Planck Equations
Jie Ding, Cheng Wang, Shenggao Zhou
The analysis of structure-preserving numerical methods for the Poisson--Nernst--Planck (PNP) system has attracted growing interests in recent years. In this work, we provide an opt…
A Maxwell-Ampère Nernst-Planck Framework for Modeling Charge Dynamics
Zhonghua Qiao, Zhenli Xu, Qian Yin +1
Understanding the properties of charge dynamics is crucial to many practical applications, such as electrochemical energy devices and transmembrane ion channels. This work proposes…
Fast Newton Iterative Method for Local Steric Poisson--Boltzmann Theories in Biomolecular Solvation
Minhong Chen, Wei Dou, Shenggao Zhou
This work proposes a fast iterative method for local steric Poisson--Boltzmann (PB) theories, in which the electrostatic potential is governed by the Poisson's equation and ionic c…
The Calculus of Boundary Variations and the Dielectric Boundary Force in the Poisson-Boltzmann Theory for Molecular Solvation
Bo Li, Zhengfang Zhang, Shenggao Zhou
In a continuum model of the solvation of charged molecules in an aqueous solvent, the classical Poisson-Boltzmann (PB) theory is generalized to include the solute point charges and…
A positivity-preserving, energy stable and convergent numerical scheme for the Poisson-Nernst-Planck system
Chun Liu, Cheng Wang, Steven M. Wise +2
In this paper we propose and analyze a finite difference numerical scheme for the Poisson-Nernst-Planck equation (PNP) system. To understand the energy structure of the PNP model,…
Hysteresis and Linear Stability Analysis on Multiple Steady-State Solutions to the Poisson--Nernst--Planck equations with Steric Interactions
Jie Ding, Hui Sun, Shenggao Zhou
In this work, we numerically study linear stability of multiple steady-state solutions to a type of steric Poisson--Nernst--Planck (PNP) equations with Dirichlet boundary condition…
Structure-Preserving Numerical Methods for Nonlinear Fokker--Planck Equations with Nonlocal Interactions by an Energetic Variational Approach
Chenghua Duan, Wenbin Chen, Chun Liu +2
In this work, we develop novel structure-preserving numerical schemes for a class of nonlinear Fokker--Planck equations with nonlocal interactions. Such equations can cover many ca…
A Positive and Energy Stable Numerical Scheme for the Poisson-Nernst-Planck-Cahn-Hilliard Equations with Steric Interactions
Yiran Qian, Cheng Wang, Shenggao Zhou
We consider numerical methods for the Poisson-Nernst-Planck-Cahn-Hilliard (PNPCH) equations with steric interactions. We propose a novel energy stable numerical scheme that respect…
Structure-Preserving and Efficient Numerical Methods for Ion Transport
Jie Ding, Zhongming Wang, Shenggao Zhou
Ion transport, often described by the Poisson--Nernst--Planck (PNP) equations, is ubiquitous in electrochemical devices and many biological processes of significance. In this work,…
Variational implicit-solvent predictions of the dry-wet transition pathways for ligand-receptor binding and unbinding kinetics
Shenggao Zhou, R. Gregor Weiß, Li-Tien Cheng +3
Ligand-receptor binding and unbinding are fundamental biomolecular processes and particularly essential to drug efficacy. Environmental water fluctuations, however, impact the corr…
A Modified Poisson--Nernst--Planck Model with Excluded Volume Effect: Theory and Numerical Implementation
Farjana Siddiqua, Zhongming Wang, Shenggao Zhou
The Poisson--Nernst--Planck (PNP) equations have been widely applied to describe ionic transport in ion channels, nanofluidic devices, and many electrochemical systems. Despite the…
Computational Study on Hysteresis of Ion Channels: Multiple Solutions to Steady-State Poisson--Nernst--Planck Equations
Jie Ding, Hui Sun, Zhongming Wang +1
The steady-state Poisson-Nernst-Planck (ssPNP) equations are an effective model for the description of ionic transport in ion channels. It is observed that an ion channel exhibits…