报告题目 (Title)：Structure-preserving numerical method for Maxwell-Ampère Nernst-Planck model (Maxwell-Ampère-Nernst-Planck模型的保结构数值方法)

报告人 (Speaker)：乔中华 教授（香港理工大学）

报告时间 (Time)：2023年11月27日(周一) 15:30

报告地点 (Place)：腾讯会议(242-388-206)

邀请人(Inviter)：李常品、蔡敏

主办部门：理学院数学系

报告摘要：Charge dynamics play essential role in many practical applications such as semiconductors, electrochemical devices and transmembrane ion channels. A Maxwell-Ampère Nernst-Planck (MANP) model that describes charge dynamics via concentrations and the electric displacement is able to take effects beyond mean-field approximations into account. To obtain physically faithful numerical solutions, we develop a structure-preserving numerical method for the MANP model whose solution has several physical properties of importance. By the Slotboom transform with entropic-mean approximations, a positivity preserving scheme with Scharfetter-Gummel fluxes is derived for the generalized Nernst-Planck equations. To deal with the curl-free constraint, the dielectric displacement from the Maxwell-Ampère equation is further updated with a local relaxation algorithm of linear computational complexity. We prove that the proposed numerical method unconditionally preserves the mass conservation and the solution positivity at the discrete level and satisfies the discrete energy dissipation law with a time-step restriction. Numerical experiments verify that our numerical method has expected accuracy and structure-preserving properties. Applications to ion transport with large convection, arising from boundary-layer electric field and Born solvation interactions, further demonstrate that the MANP formulation with the proposed numerical scheme has attractive performance and can effectively describe charge dynamics with large convection of high numerical cell Péclet numbers.