A Doyle–Fuller–Newman (DFN) model for the charge and discharge of nano-structured lithium iron phosphate (LFP) cathodes is formulated on the basis that lithium transport within the nanoscale LFP electrode particles is much faster than cell discharge, and is therefore not rate limiting. We present some numerical solutions to the model and show that for relevant parameter values, and a variety of C-rates, it is possible for sharp discharge fronts to form and intrude into the electrode from its outer edge(s). These discharge fronts separate regions of fully utilised LFP electrode particles from those that are not. Motivated by this observation an asymptotic solution to the model is sought. The results of the asymptotic analysis of the DFN model lead to a reduced order model, which we term the reaction front model (or RFM). Favourable agreement is shown between solutions to the RFM and the full DFN model in appropriate parameter regimes. The RFM is significantly cheaper to solve than the DFN model, and therefore has the potential to be used in scenarios where computational costs are prohibitive, e.g. in optimisation and parameter estimation problems or in engineering control systems.

We propose two linearly implicit energy-preserving schemes for the complex modified Korteweg–de Vries equation, based on the invariant energy quadratization method. First, a new variable is introduced and a new Hamiltonian system is constructed for this equation. Then the Fourier pseudospectral method is used for the space discretization and the Crank–Nicolson leap-frog schemes for the time discretization. The proposed schemes are linearly implicit, which is only needed to solve a linear system at each time step. The fully discrete schemes can be shown to conserve both mass and energy in the discrete setting. Some numerical examples are also presented to validate the effectiveness of the proposed schemes.

The displacement λ-convexity of a non-standard entropy with respect to a non-local transportation metric in finite state spaces is shown using a gradient flow approach. The constant λ is computed explicitly in terms of a priori estimates of the solution to a finite-difference approximation of a non-linear Fokker–Planck equation. The key idea is to employ a new mean function, which defines the Onsager operator in the gradient flow formulation.

A new Semi-Lagrangian scheme is proposed to discretize the surface convection-diffusion equation. The other involved equations including the the level-set convection equation, the re-initialization equation and the extension equation are also solved by S-L schemes. The S-L method removes both the CFL condition and the stiffness caused by the surface Laplacian, allowing larger time step than the Eulerian method. The method is extended to the block-structured adaptive mesh. Numerical examples are given to demonstrate the efficiency of the S-L method.

This paper is devoted to an extension of the finite-energy condition for extended Runge-Kutta-Nyström (ERKN) integrators and applications to nonlinear wave equations. We begin with an error analysis for the integrators for multi-frequency highly oscillatory systems , where M is positive semi-definite, . The highly oscillatory system is due to the semi-discretisation of conservative, or dissipative, nonlinear wave equations. The structure of such a matrix M and initial conditions are based on particular spatial discretisations. Similarly to the error analysis for Gaustchi-type methods of order two, where a finite-energy condition bounding amplitudes of high oscillations is satisfied by the solution, a finite-energy condition for the semi-discretisation of nonlinear wave equations is introduced and analysed. These ensure that the error bound of ERKN methods is independent of . Since stepsizes are not restricted by frequencies of M, large stepsizes can be employed by our ERKN integrators of arbitrary high order. Numerical experiments provided in this paper have demonstrated that our results are truly promising, and consistent with our analysis and prediction.

In this article, we give a unified theory for constructing boundary layer expansions for discretized transport equations with homogeneous Dirichlet boundary conditions. We exhibit a natural assumption on the discretization under which the numerical solution can be written approximately as a two-scale boundary layer expansion. In particular, this expansion yields discrete semigroup estimates that are compatible with the continuous semigroup estimates in the limit where the space and time steps tend to zero. The novelty of our approach is to cover numerical schemes with arbitrarily many time levels.

In this paper we consider a discontinuous Galerkin discretization of the ideal magnetohydrodynamics (MHD) equations on unstructured meshes, and the divergence free constraint (∇·B=0) of its magnetic field B. We first present two approaches for maintaining the divergence free constraint, namely the approach of a locally divergence free projection inspired by locally divergence free elements [19], and another approach of the divergence cleaning technique given by Dedner et al. [15]. By combining these two approaches we obtain a efficient method at the almost same numerical cost. Finally, numerical experiments are performed to show the capacity and efficiency of the scheme.

Semi-Lagrangian (S-L) methods have no CFL stability constraint, and are more stable than the Eulerian methods. In the literature, the S-L method for the level-set re-initialization equation was complicated, which may be unnecessary. Since the re-initialization procedure is auxiliary, we propose to use the first-order S-L scheme coupled with a projection technique to improve the accuracy at the grid points just adjacent to the interface. Standard second-order S-L method is used for evolving the level-set convection equation. The implementation is simple, including on the block-structured adaptive mesh. The efficiency of the S-L method is demonstrated by extensive numerical examples including passive convection of interfaces with corners/kinks/large deformation under given velocity fields, a geometrical flow with topological changes, simulations of bubble/ droplet dynamics in incompressible two-phase flows. In terms of accuracy it is comparable to the other existing methods.

Novel dimensional splitting techniques are developed for ETD Schemes which are second-order convergent and highly efficient. By using the ETD-Crank-Nicolson scheme we show that the proposed techniques can reduce the computational time for nonlinear reaction-diffusion systems by up to 70%. Numerical tests are performed to empirically validate the superior performance of the splitting methods.

This paper explores the discrete singular convolution method for Hamiltonian PDEs. The differential matrices corresponding to two delta type kernels of the discrete singular convolution are presented analytically, which have the properties of high-order accuracy, bandlimited structure and thus can be excellent candidates for the spatial discretizations for Hamiltonian PDEs. Taking the nonlinear Schrödinger equation and the coupled Schrödinger equations for example, we construct two symplectic integrators combining this kind of differential matrices and appropriate symplectic time integrations, which both have been proved to satisfy the square conservation laws. Comprehensive numerical experiments including comparisons with the central finite difference method, the Fourier pseudospectral method, the wavelet collocation method are given to show the advantages of the new type of symplectic integrators.

This paper studies a local discontinuous Galerkin method combined with fourth order exponential time differencing Runge-Kutta time discretization and a fourth order conservative method for solving the nonlinear Schrödinger equations. Based on different choices of numerical fluxes, we propose both energy-conserving and energy-dissipative local discontinuous Galerkin methods, and have proven the error estimates for the semi-discrete methods applied to linear Schrödinger equation. The numerical methods are proven to be highly efficient and stable for long-range soliton computations. Extensive numerical examples are provided to illustrate the accuracy, efficiency and reliability of the proposed methods.

It has been known for a long time that the equivariant $2+1$ wave map into the $2$-sphere blows up if the initial data are chosen appropriately. Here, we present numerical evidence for the stability of the blow-up phenomenon under explicit violations of equivariance.

In this paper we describe a new pseudo-spectral method to solve numerically two and three-dimensional nonlinear diffusion equations over unbounded domains, taking Hermite functions, sinc functions, and rational Chebyshev polynomials as basis functions. The idea is to discretize the equations by means of differentiation matrices and to relate them to Sylvester-type equations by means of a fourth-order implicit-explicit scheme, being of particular interest the treatment of three-dimensional Sylvester equations that we make. The resulting method is easy to understand and express, and can be implemented in a transparent way by means of a few lines of code. We test numerically the three choices of basis functions, showing the convenience of this new approach, especially when rational Chebyshev polynomials are considered.

The numerical solution of blow-up problems for nonlinear wave equations on unbounded spatial domains is considered. Applying the unified approach, which is based on the operator splitting method, we construct the efficient nonlinear local absorbing boundary conditions for the nonlinear wave equation, and reduce the nonlinear problem on the unbounded spatial domain to an initial-boundary-value problem on a bounded domain. Then the finite difference method is used to solve the reduced problem on the bounded computational domain. Finally, a broad range of numerical examples are given to demonstrate the effectiveness and accuracy of our method, and some interesting propagation and behaviors of the blow-up problems for nonlinear wave equations are observed.

This article extends the finite element method of lines to a parabolic initial boundary value problem whose diffusion coefficient is discontinuous across an interface that changes with respect to time. The method presented here uses immersed finite element (IFE) functions for the discretization in spatial variables that can be carried out over a fixed mesh (such as a Cartesian mesh if desired), and this feature makes it possible to reduce the parabolic equation to a system of ordinary differential equations (ODE) through the usual semi-discretization procedure. Therefore, with a suitable choice of the ODE solver, this method can reliably and efficiently solve a parabolic moving interface problem over a fixed structured (Cartesian) mesh. Numerical examples are presented to demonstrate features of this new method.

In this paper we describe new B-spline Gaussian collocation software for solving two-dimensional parabolic partial differential equations (PDEs) defined over a rectangular region. The numerical solution is represented as a bi-variate piecewise polynomial (using a tensor product B-spline basis) with time-dependent unknown coefficients. These coefficients are determined by imposing collocation conditions: the numerical solution is required to satisfy the PDE and boundary conditions at images of the Gauss points mapped onto certain subregions of the spatial domain. This leads to a large system of time-dependent differential algebraic equations (DAEs) which is solved using the DAE solver, DASPK. We provide numerical results in which we use the new software, called BACOL2D, to solve three test problems.

The immersed boundary (IB) method is an approach to problems of fluid-structure interaction in which an elastic structure is immersed in a viscous incompressible fluid. The IB formulation of such problems uses a Lagrangian description of the structure and an Eulerian description of the fluid. It is well known that some versions of the IB method can suffer from poor volume conservation. Methods have been introduced to improve the volume-conservation properties of the IB method, but they either have been fairly specialized, or have used complex, nonstandard Eulerian finite-difference discretizations. In this paper, we use quasi-static and dynamic benchmark problems to investigate the effect of the choice of Eulerian discretization on the volume-conservation properties of a formally second-order accurate IB method. We consider both collocated and staggered-grid discretization methods. For the tests considered herein, the staggered-grid IB scheme generally yields at least a modest improvement in volume conservation when compared to cell-centered methods, and in many cases considered in this work, the spurious volume changes exhibited by the staggered-grid IB method are more than an order of magnitude smaller than those of the collocated schemes. We also compare the performance of cell-centered schemes that use either exact or approximate projection methods. We find that the volume-conservation properties of approximate projection IB methods depend strongly on the formulation of the projection method. When used with the IB method, we find that pressure-free approximate projection methods can yield extremely poor volume conservation, whereas pressure-increment approximate projection methods yield volume conservation that is nearly identical to that of a cell-centered exact projection method.

The incompatibilities between the initial and boundary data will cause singularities at the time-space corners, which in turn adversely affect the accuracy of the numerical schemes used to compute the solutions. We study the corner singularity issue for nonlinear evolution equations in 1D, and propose two remedy procedures that effectively recover much of the accuracy of the numerical scheme in use. Applications of the remedy procedures to the 1D viscous Burgers equation, and to the 1D nonlinear reaction-diffusion equation are presented. The remedy procedures are applicable to other nonlinear diffusion equations as well.

An efficient finite difference framework based on moving meshes methods is developed for the three-dimensional free surface viscoelastic flows. The basic model equations are based on the incompressible Navier-Stokes equations and the Oldroyd-B constitutive model for viscoelastic flows is adopted. A logical domain semi-Lagrangian scheme is designed for moving-mesh solution interpolation and convection. Numerical results show that harmonic map based moving mesh methods can achieve better accuracy for viscoelastic flows with free boundaries while using much less memory and computational time compared to the uniform mesh simulations.