Article
Materials Science, Multidisciplinary
Xin Qian, Te-Huan Liu, Ronggui Yang
Summary: The article presents a solution to describe the ionic Seebeck effect of confined liquid electrolytes using the Poisson-Nernst-Planck equations. The solution provides insights into the relationship between temperature gradient, confinement, and thermopower, showing good agreement with experimental observations.
MATERIALS TODAY PHYSICS
(2022)
Article
Computer Science, Interdisciplinary Applications
Hailiang Liu, Zhongming Wang, Peimeng Yin, Hui Yu
Summary: In this paper, we propose and analyze third order positivity-preserving discontinuous Galerkin schemes for solving the time-dependent system of Poisson-Nernst-Planck equations. Our method ensures the positivity of numerical solutions and restores it through a scaling limiter.
JOURNAL OF COMPUTATIONAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Ziang Xu, Yiwen Liao, Maobin Pang, Lei Wan, Qin Xu, Yihan Zhen, Baoguo Wang
Summary: Water dissociation with bipolar membranes is optimized by constructing a stable C-C covalent interlocking interlayer, which enhances physical binding strength and ionic transportation rate. This design achieves unprecedented water dissociation performance and long-term stability. It also enables continuous NH3 electrosynthesis with high efficiency, low energy consumption, and state-of-the-art yield, providing innovative design principles for emerging ampere-level BM electrochemical devices.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Physical
G. Barbero, A. M. Scarfone
Summary: The DC response of an electrochemical system under an external potential difference is investigated using the Poisson-Nernst-Planck model. It is found that the current density exhibits a functional dependence on the applied potential difference similar to the Butler-Volmer equation for an electrolytic cell.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Mathematics, Applied
Vaclav Klika, Eamonn A. Gaffney
Summary: The Poisson-Nernst-Planck equations describe the behavior of ions in electrolytes, especially near charged surfaces. The complexity of these surfaces often makes it difficult to directly predict osmotic swelling pressures caused by ion behaviors. However, by using upscaling techniques, the behavior of swelling pressure on large scales can be determined without solving the complex PNP equations, although this is more challenging when the periodicity is only approximate.
APPLIED MATHEMATICS LETTERS
(2023)
Article
Mathematics
Evgeny S. Asmolov, Tatiana Nizkaya, Olga Vinogradova
Summary: In this study, we have derived a non-linear outer solution for the electric field and concentrations of catalytic swimmers with any shape, and determined the velocity of particle self-propulsion. Our approach allows us to include the complicated effects of anisotropy and inhomogeneity of surface ion fluxes, leading to more accurate calculations.
Article
Chemistry, Multidisciplinary
Yuting Wang, Huaxiang Chen, Jiaqiao Jiang, Jin Zhai
Summary: Ion storage structures are common in organisms, and an ion pool structural ion storage device has been proposed using artificial ion nanochannels to achieve high efficiency ion enrichment or depletion. Experimental results and numerical simulations demonstrate excellent ion separation efficiency of the device.
Article
Mathematics, Applied
Rong Shen, Yong Wang
Summary: This study examines the stability of the stationary solution to the three-dimensional damped Poisson-Nernst-Planck-Euler equations. It demonstrates that under a general nonconstant doping profile, the stationary system only has a semitrivial solution. Additionally, under small initial data, the existence and uniqueness of the global strong solution to the nonstationary system are proven.
MATHEMATICAL METHODS IN THE APPLIED SCIENCES
(2022)
Article
Engineering, Multidisciplinary
Guosheng Fu, Zhiliang Xu
Summary: We introduce a novel class of high-order space-time finite element schemes for solving the Poisson-Nernst-Planck (PNP) equations. Our schemes achieve mass conservation, positivity preservation, and unconditional energy stability for any order of approximation. This is accomplished by employing the entropy variable formulation and a discontinuous Galerkin discretization in time.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2022)
Article
Mathematics, Applied
Shuai Su, Huazhong Tang
Summary: This paper develops a hybrid scheme for the multi-dimensional Poisson-Nernst-Planck equations on unstructured polygonal and polyhedral meshes, which preserves the positivity of ion concentrations and free energy dissipation, as well as mass conservation and steady-state properties.
COMPUTERS & MATHEMATICS WITH APPLICATIONS
(2022)
Article
Mathematics, Applied
Jie Ding, Xiang Ji
Summary: In this paper, a structure-preserving numerical scheme is proposed for solving the SPNPCH equations. The scheme ensures mass conservation, unconditional energy-dissipation, and positivity of concentration. The quasi-Newton method is applied to solve the optimization problem, guaranteeing the positivity of concentration in the iterative process.
NUMERICAL MATHEMATICS-THEORY METHODS AND APPLICATIONS
(2023)
Article
Computer Science, Interdisciplinary Applications
Dexuan Xie, Zhen Chao
Summary: This paper introduces a novel dielectric continuum ion channel model called the PNPSIC model, which utilizes the biological and geometrical characteristics of a single ion channel. A PNPSIC finite element solver is developed and implemented, demonstrating its convergence, efficiency, and high performance. The model is validated by experimental data and applied to electric current calculations.
JOURNAL OF COMPUTATIONAL PHYSICS
(2023)
Article
Engineering, Environmental
Haolan Tao, Guofang Li, Zhi Xu, Cheng Lian, Honglai Liu
Summary: The harvesting of nanofluidic salinity gradient power (SGP) has gained attention for its abundant source and easy implementation, but commercial ion-exchange membranes hinder its applicability due to high resistance and undesirable ion selectivity. This study focuses on the influence of porous structure on SGP conversion and finds that even slight changes in the structure can significantly impact concentration polarization and thus SGP conversion efficiency. Matching the local pore structure to electric double layer (EDL) structure can effectively improve SGP conversion. Additionally, the surface charge density has a greater impact on SGP generation at high salinity gradients.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Computer Science, Interdisciplinary Applications
Zhonghua Qiao, Zhenli Xu, Qian Yin, Shenggao Zhou
Summary: Charge dynamics play a crucial role in various practical applications. The Maxwell-Ampere Nernst-Planck (MANP) model, which describes charge dynamics using concentrations and the electric displacement, can consider effects beyond mean-field approximations. We have developed a structure-preserving numerical method for the MANP model to obtain physically faithful numerical solutions.
JOURNAL OF COMPUTATIONAL PHYSICS
(2023)
Article
Mathematics, Applied
Jihong Zhao, Xilan Liu
Summary: This paper focuses on the global existence and decay rates of large solutions for the Poisson-Nernst-Planck equations. By carefully observing the algebraic structure of the equations and using the weighted Chemin-Lerner-type norm, the authors obtain the global existence and optimal decay rates of large solutions. Moreover, the large solution is obtained for initial densities belonging to the low regularity Besov spaces with different regularity and integral indices, indicating specific coupling relations between the difference and the summation of negatively and positively charged densities.
MATHEMATICAL METHODS IN THE APPLIED SCIENCES
(2023)
Article
Computer Science, Interdisciplinary Applications
Tian Liang, Lin Fu
Summary: In this work, a new shock-capturing framework is proposed based on a new candidate stencil arrangement and the combination of infinitely differentiable non-polynomial RBF-based reconstruction in smooth regions with jump-like non-polynomial interpolation for genuine discontinuities. The resulting scheme achieves high order accuracy and resolves genuine discontinuities with sub-cell resolution.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Lukas Lundgren, Murtazo Nazarov
Summary: In this paper, a high-order accurate finite element method for incompressible variable density flow is introduced. The method addresses the issues of saddle point system and stability problem through Schur complement preconditioning and artificial compressibility approaches, and it is validated to have high-order accuracy for smooth problems and accurately resolve discontinuities.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Gabriele Ciaramella, Laurence Halpern, Luca Mechelli
Summary: This paper presents a novel convergence analysis of the optimized Schwarz waveform relaxation method for solving optimal control problems governed by periodic parabolic PDEs. The analysis is based on a Fourier-type technique applied to a semidiscrete-in-time form of the optimality condition, which enables a precise characterization of the convergence factor at the semidiscrete level. The behavior of the optimal transmission condition parameter is also analyzed in detail as the time discretization approaches zero.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Jonas A. Actor, Xiaozhe Hu, Andy Huang, Scott A. Roberts, Nathaniel Trask
Summary: This article introduces a scientific machine learning framework that uses a partition of unity architecture to model physics through control volume analysis. The framework can extract reduced models from full field data while preserving the physics. It is applicable to manifolds in arbitrary dimension and has been demonstrated effective in specific problems.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Nozomi Magome, Naoki Morita, Shigeki Kaneko, Naoto Mitsume
Summary: This paper proposes a novel strategy called B-spline based SFEM to fundamentally solve the problems of the conventional SFEM. It uses different basis functions and cubic B-spline basis functions with C-2-continuity to improve the accuracy of numerical integration and avoid matrix singularity. Numerical results show that the proposed method is superior to conventional methods in terms of accuracy and convergence.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Timothy R. Law, Philip T. Barton
Summary: This paper presents a practical cell-centred volume-of-fluid method for simulating compressible solid-fluid problems within a pure Eulerian setting. The method incorporates a mixed-cell update to maintain sharp interfaces, and can be easily extended to include other coupled physics. Various challenging test problems are used to validate the method, and its robustness and application in a multi-physics context are demonstrated.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Xing Ji, Fengxiang Zhao, Wei Shyy, Kun Xu
Summary: This paper presents the development of a third-order compact gas-kinetic scheme for compressible Euler and Navier-Stokes solutions, constructed particularly for an unstructured tetrahedral mesh. The scheme demonstrates robustness in high-speed flow computation and exhibits excellent adaptability to meshes with complex geometrical configurations.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Alsadig Ali, Abdullah Al-Mamun, Felipe Pereira, Arunasalam Rahunanthan
Summary: This paper presents a novel Bayesian statistical framework for the characterization of natural subsurface formations, and introduces the concept of multiscale sampling to localize the search in the stochastic space. The results show that the proposed framework performs well in solving inverse problems related to porous media flows.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Jacob Rains, Yi Wang, Alec House, Andrew L. Kaminsky, Nathan A. Tison, Vamshi M. Korivi
Summary: This paper presents a novel method called constrained optimized DMD with Control (cOptDMDc), which extends the optimized DMD method to systems with exogenous inputs and can enforce the stability of the resulting reduced order model (ROM). The proposed method optimally places eigenvalues within the stable region, thus mitigating spurious eigenvalue issues. Comparative studies show that cOptDMDc achieves high accuracy and robustness.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Andrea La Spina, Jacob Fish
Summary: This work introduces a hybridizable discontinuous Galerkin formulation for simulating ideal plasmas. The proposed method couples the fluid and electromagnetic subproblems monolithically based on source and employs a fully implicit time integration scheme. The approach also utilizes a projection-based divergence correction method to enforce the Gauss laws in challenging scenarios. Numerical examples demonstrate the high-order accuracy, efficiency, and robustness of the proposed formulation.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Junhong Yue, Peijun Li
Summary: This paper proposes two numerical methods (IP-FEM and BP-FEM) to study the flexural wave scattering problem of an arbitrary-shaped cavity on an infinite thin plate. These methods successfully decompose the fourth-order plate wave equation into the Helmholtz and modified Helmholtz equations with coupled conditions on the cavity boundary, providing an effective solution to this challenging problem.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
William Anderson, Mohammad Farazmand
Summary: We develop fast and scalable methods, called RONS, for computing reduced-order nonlinear solutions. These methods have been proven to be highly effective in tackling challenging problems, but become computationally prohibitive as the number of parameters grows. To address this issue, three separate methods are proposed and their efficacy is demonstrated through examples. The application of RONS to neural networks is also discussed.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Marco Caliari, Fabio Cassini
Summary: In this paper, a second order exponential scheme for stiff evolutionary advection-diffusion-reaction equations is proposed. The scheme is based on a directional splitting approach and uses computation of small sized exponential-like functions and tensor-matrix products for efficient implementation. Numerical examples demonstrate the advantage of the proposed approach over state-of-the-art techniques.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Sebastiano Boscarino, Seung Yeon Cho, Giovanni Russo
Summary: This work proposes a high order conservative semi-Lagrangian method for the inhomogeneous Boltzmann equation of rarefied gas dynamics. The method combines a semi-Lagrangian scheme for the convection term, a fast spectral method for computation of the collision operator, and a high order conservative reconstruction and a weighted optimization technique to preserve conservative quantities. Numerical tests demonstrate the accuracy and efficiency of the proposed method.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)
Article
Computer Science, Interdisciplinary Applications
Jialei Li, Xiaodong Liu, Qingxiang Shi
Summary: This study shows that the number, centers, scattering strengths, inner and outer diameters of spherical shell-structured sources can be uniquely determined from the far field patterns. A numerical scheme is proposed for reconstructing the spherical shell-structured sources, which includes a migration series method for locating the centers and an iterative method for computing the inner and outer diameters without computing derivatives.
JOURNAL OF COMPUTATIONAL PHYSICS
(2024)