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1. A positivity-preserving, energy stable and convergent numerical scheme for the Poisson-Nernst-Planck system

   https://doi.org/10.1090/mcom/3642  

   Liu, Chun ; Wang, Cheng ; Wise, Steven ; Yue, Xingye ; Zhou, Shenggao ( September 2021 , Mathematics of Computation)

   null (Ed.)

   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, we make use of the Energetic Variational Approach (EnVarA), so that the PNP system could be reformulated as a non-constant mobility H − 1 H^{-1} gradient flow, with singular logarithmic energy potentials involved. To ensure the unique solvability and energy stability, the mobility function is explicitly treated, while both the logarithmic and the electric potential diffusion terms are treated implicitly, due to the convex nature of these two energy functional parts. The positivity-preserving property for both concentrations, n n and p p , is established at a theoretical level. This is based on the subtle fact that the singular nature of the logarithmic term around the value of 0 0 prevents the numerical solution reaching the singular value, so that the numerical scheme is always well-defined. In addition, an optimal rate convergence analysis is provided in this work, in which many highly non-standard estimates have to be involved, due to the nonlinear parabolic coefficients. The higher order asymptotic expansion (up to third order temporal accuracy and fourth order spatial accuracy), the rough error estimate (to establish the ℓ ∞ \ell ^\infty bound for n n and p p ), and the refined error estimate have to be carried out to accomplish such a convergence result. In our knowledge, this work will be the first to combine the following three theoretical properties for a numerical scheme for the PNP system: (i) unique solvability and positivity, (ii) energy stability, and (iii) optimal rate convergence. A few numerical results are also presented in this article, which demonstrates the robustness of the proposed numerical scheme. 

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2. Error analysis of a linear numerical scheme for the Landau–Lifshitz equation with large damping parameters

   https://doi.org/10.1002/mma.9601  

   Cai, Yongyong ; Chen, Jingrun ; Wang, Cheng ; Xie, Changjian ( September 2023 , Mathematical Methods in the Applied Sciences)

   A second‐order accurate, linear numerical method is analyzed for the Landau–Lifshitz equation with large damping parameters. This equation describes the dynamics of magnetization, with a non‐convexity constraint of unit length of the magnetization. The numerical method is based on the second‐order backward differentiation formula in time, combined with an implicit treatment for the linear diffusion term from the harmonic mapping part and explicit extrapolation for the nonlinear terms. Afterward, a projection step is applied to normalize the numerical solution at a point‐wise level. This numerical scheme has shown extensive advantages in the practical computations for the physical model with large damping parameters, which comes from the fact that only a linear system with constant coefficients (independent of both time and the updated magnetization) needs to be solved at each time step, and has greatly improved the numerical efficiency. Meanwhile, a theoretical analysis for this linear numerical scheme has not been available. In this paper, we provide a rigorous error estimate of the numerical scheme, in the discrete norm, under suitable regularity assumptions and reasonable ratio between the time step size and the spatial mesh size. In particular, the projection operation is nonlinear, and a stability estimate for the projection step turns out to be highly challenging. Such a stability estimate is derived in details, which will play an essential role in the convergence analysis for the numerical scheme, if the damping parameter is greater than 3.

    

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3. On a novel full decoupling, linear, second‐order accurate, and unconditionally energy stable numerical scheme for the anisotropic phase‐field dendritic crystal growth model

   https://doi.org/10.1002/nme.6697  

   Yang, Xiaofeng ( April 2021 , International Journal for Numerical Methods in Engineering)

   The anisotropic phase‐field dendritic crystal growth model is a highly nonlinear system that couples the anisotropic Allen–Cahn equation and the thermal equation together. Due to the high anisotropy and nonlinear couplings in the system, how to develop an accurate and efficient, especially a fully decoupled scheme, has always been a challenging problem. To solve the challenge, in this article, we construct a novel fully decoupled numerical scheme which is also linear, energy stable, and second‐order time accurate. The key idea to realize the full decoupling structure is to introduce an ordinary differential equation to deal with the nonlinear coupling terms satisfying the so‐called “zero‐energy‐contribution” property. This scheme is very effective and easy to implement since only a few fully decoupled elliptic equations with constant coefficients need to be solved at each time step. We rigorously prove the solvability of each step and the unconditional energy stability, and perform a large number of numerical simulations in 2D and 3D to demonstrate its stability and accuracy numerically.

    

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4. Semi-implicit hybrid discrete (H$^T_N$) approximation of thermal radiative transfer

   https://doi.org/https://link.springer.com/article/10.1007/s10915-021-01686-7  

   R.G. McClarren, J.A. Rossmanith ( November 2021 , Journal of scientific computing)

   The thermal radiative transfer (TRT) equations form an integro-differential system that describes the propagation and collisional interactions of photons. Computing accurate and efficient numerical solutions TRT are challenging for several reasons, the first of which is that TRT is defined on a high-dimensional phase space that includes the independent variables of time, space, and velocity. In order to reduce the dimensionality of the phase space, classical approaches such as the P$_N$ (spherical harmonics) or the S$_N$ (discrete ordinates) ansatz are often used in the literature. In this work, we introduce a novel approach: the hybrid discrete (H$^T_N$) approximation to the radiative thermal transfer equations. This approach acquires desirable properties of both P$_N$ and S$_N$, and indeed reduces to each of these approximations in various limits: H$^1_N$ $\equiv$ P$_N$ and H$^T_0$ $\equiv$ S$_T$. We prove that H$^T_N$ results in a system of hyperbolic partial differential equations for all $T\ge 1$ and $N\ge 0$. Another challenge in solving the TRT system is the inherent stiffness due to the large timescale separation between propagation and collisions, especially in the diffusive (i.e., highly collisional) regime. This stiffness challenge can be partially overcome via implicit time integration, although fully implicit methods may become computationally expensive due to the strong nonlinearity and system size. On the other hand, explicit time-stepping schemes that are not also asymptotic-preserving in the highly collisional limit require resolving the mean-free path between collisions, making such schemes prohibitively expensive. In this work we develop a numerical method that is based on a nodal discontinuous Galerkin discretization in space, coupled with a semi-implicit discretization in time. In particular, we make use of a second order explicit Runge-Kutta scheme for the streaming term and an implicit Euler scheme for the material coupling term. Furthermore, in order to solve the material energy equation implicitly after each predictor and corrector step, we linearize the temperature term using a Taylor expansion; this avoids the need for an iterative procedure, and therefore improves efficiency. In order to reduce unphysical oscillation, we apply a slope limiter after each time step. Finally, we conduct several numerical experiments to verify the accuracy, efficiency, and robustness of the H$^T_N$ ansatz and the numerical discretizations. 

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5. High order accurate and convergent numerical scheme for the strongly anisotropic Cahn–Hilliard model

   https://doi.org/10.1002/num.23034  

   Cheng, Kelong ; Wang, Cheng ; Wise, Steven M. ( May 2023 , Numerical Methods for Partial Differential Equations)

   We propose and analyze a second order accurate in time, energy stable numerical scheme for the strongly anisotropic Cahn–Hilliard system, in which a biharmonic regularization has to be introduced to make the equation well‐posed. A convexity analysis on the anisotropic interfacial energy is necessary to overcome an essential difficulty associated with its highly nonlinear and singular nature. The second order backward differentiation formula temporal approximation is applied, combined with Fourier pseudo‐spectral spatial discretization. The nonlinear surface energy part is updated by an explicit extrapolation formula. Meanwhile, the energy stability analysis is enforced by the fact that all the second order functional derivatives of the energy stay uniformly bounded by a global constant. A Douglas‐Dupont type regularization is added to stabilize the numerical scheme, and a careful estimate ensures a modified energy stability with a uniform constraint for the regularization parameter . In turn, the combination with an appropriate treatment for the nonlinear double well potential terms leads to a weakly nonlinear scheme. More importantly, such an energy stability is in terms of the interfacial energy with respect to the original phase variable, which enables us to derive an optimal rate convergence analysis.

    

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