In this paper, we construct efficient schemes based on the scalar auxiliary variable (SAV) block-centered finite difference method for the modified phase field crystal (MPFC) equation, which is a sixth-order nonlinear damped wave equation. The schemes are linear, conserve mass and unconditionally dissipate a pseudo energy. We prove rigorously second-order error estimates in both time and space for the phase field variable in discrete norms. We also present some numerical experiments to verify our theoretical results and demonstrate the robustness and accuracy.
Second Order, linear and unconditionally energy stable schemes for a hydrodynamic model of Smectic-A Liquid Crystals
Beijing University of Posts and Telecommunications（北京邮电大学）；University of South Carolina（南卡罗来纳大学）；Beijing Institute for Scientific and Engineering Computing, Beijing University of Technology（北京工业大学北京科学计算与工程计算研究所）；Beijing Normal University（北京师范大学）
This paper continues to study linear and unconditionally modified-energy stable (abbreviated as SAV-GL) schemes for the gradient flows. The schemes are built on the SAV technique and the general linear time discretizations (GLTD) as well as the extrapolation for the nonlinear term. Different from [44], the GLTDs with three parameters discussed here are not necessarily algebraically stable. Some algebraic identities are derived by using the method of undetermined coefficients and further used to establish the modified-energy inequalities for the unconditional modified-energy stability of the se…
In this work, we introduce a new space-time variational formulation of the second-order wave equation, where integration by parts is also applied with respect to the time variable, and a modified Hilbert transformation is used. For this resulting variational setting, ansatz and test spaces are equal. Thus, conforming finite element discretizations lead to Galerkin--Bubnov schemes. We consider a conforming tensor-product approach with piecewise polynomial, continuous basis functions, which results in an unconditionally stable method, i.e., no CFL condition is required. We give numerical example…
Stability and convergence analysis of unconditionally original energy dissipative implicit-explicit Runge--Kutta methods for the phase field crystal models without Lipschitz assumptions
This paper studies a class of linear unconditionally energy stable schemes for the gradient flows. Such schemes are built on the SAV technique and the general linear time discretization (GLTD) as well as the linearization based on the extrapolation for the nonlinear term, and may be arbitrarily high-order accurate and very general, containing many existing SAV schemes and new SAV schemes. It is shown that the semi-discrete-in-time schemes are unconditionally energy stable when the GLTD is algebraically stable, and are convergent with the order of $\min\{\hat{q},ν\}$ under the diagonal stabilit…
It is well known that the classic Allen-Cahn equation satisfies the maximum bound principle (MBP), that is, the absolute value of its solution is uniformly bounded for all time by certain constant under suitable initial and boundary conditions. In this paper, we consider numerical solutions of the modified Allen-Cahn equation with a Lagrange multiplier of nonlocal and local effects, which not only shares the same MBP as the original Allen-Cahn equation but also conserves the mass exactly. We reformulate the model equation with a linear stabilizing technique, then construct first- and second-or…
An adaptive implicit-explicit (IMEX) BDF2 scheme is investigated on generalized SAV approach for the Cahn-Hilliard equation by combining with Fourier spectral method in space. It is proved that the modified energy dissipation law is unconditionally preserved at discrete levels. Under a mild ratio restriction, i.e., \Ass{1}: $0<r_k:=τ_k/τ_{k-1}< r_{\max}\approx 4.8645$, we establish a rigorous error estimate in $H^1$-norm and achieve optimal second-order accuracy in time. The proof involves the tools of discrete orthogonal convolution (DOC) kernels and inequality zoom. It is worth noting that t…
The existing discrete variational derivative method is only second-order accurate and fully implicit. In this paper, we propose a framework to construct an arbitrary high-order implicit (original) energy stable scheme and a second-order semi-implicit (modified) energy stable scheme. Combined with the Runge--Kutta process, we can build an arbitrary high-order and unconditionally (original) energy stable scheme based on the discrete variational derivative method. The new energy stable scheme is implicit and leads to a large sparse nonlinear algebraic system at each time step, which can be effici…
Higher-order time integration methods that unconditionally preserve the positivity and linear invariants of the underlying differential equation system cannot belong to the class of general linear methods. This poses a major challenge for the stability analysis of such methods since the new iterate depends nonlinearly on the current iterate. Moreover, for linear systems, the existence of linear invariants is always associated with zero eigenvalues, so that steady states of the continuous problem become non-hyperbolic fixed points of the numerical time integration scheme. Altogether, the stabil…
We present a C0 interior penalty finite element method for the sixth-order phase field crystal equation. We demonstrate that the numerical scheme is uniquely solvable, unconditionally energy stable, and convergent. We remark that the novelty of this paper lies in the fact that this is the first C0 interior penalty finite element method developed for the phase field crystal equation. Additionally, the error analysis presented develops a detailed methodology for analyzing time dependent problems utilizing the C0 interior penalty method. We furthermore benchmark our method against numerical exper…
This paper considers a two-step fourth-order modified explicit Euler/Crank-Nicolson numerical method for solving the time-variable fractional mobile-immobile advection-dispersion model subjects to suitable initial and boundary conditions. Both stability and error estimates of the new approach are deeply analyzed in the $L^{\infty}(0,T;L^{2})$-norm. The theoretical studies show that the proposed technique is unconditionally stable with convergence of order $O(k+h^{4})$, where $h$ and $k$ are space step and time step, respectively. This result indicate that the two-step fourth-order formulation …
Since almost twenty years, modified Patankar--Runge--Kutta (MPRK) methods have proven to be efficient and robust numerical schemes that preserve positivity and conservativity of the production-destruction system irrespectively of the time step size chosen. Due to these advantageous properties they are used for a wide variety of applications. Nevertheless, until now, an analytic investigation of the stability of MPRK schemes is still missing, since the usual approach by means of Dahlquist's equation is not feasible. Therefore, we consider a positive and conservative 2D test problem and provide …
We present a paradigm for developing arbitrarily high order, linear, unconditionally energy stable numerical algorithms for gradient flow models. We apply the energy quadratization (EQ) technique to reformulate the general gradient flow model into an equivalent gradient flow model with a quadratic free energy and a modified mobility. Given solutions up to $t_n=n Δt$ with $Δt$ the time step size, we linearize the EQ-reformulated gradient flow model in $(t_n, t_{n+1}]$ by extrapolation. Then we employ an algebraically stable Runge-Kutta method to discretize the linearized model in $(t_n, t_{n+1}…
In this paper, we propose and analyze a first-order and a second-order time-stepping schemes for the anisotropic phase-field dendritic crystal growth model. The proposed schemes are based on an auxiliary variable approach for the Allen-Cahn equation and delicate treatment of the terms coupling the Allen-Cahn equation and temperature equation. The idea of the former is to introduce suitable auxiliary variables to facilitate construction of high order stable schemes for a large class of gradient flows. We propose a new technique to treat the coupling terms involved in the crystal growth model an…
We present a convergence analysis of an unconditionally energy-stable first-order semi-discrete numerical scheme designed for a hydrodynamic Q-tensor model, the so-called Beris-Edwards system, based on the Invariant Energy Quadratization Method (IEQ). The model consists of the Navier-Stokes equations for the fluid flow, coupled to the Q-tensor gradient flow describing the liquid crystal molecule alignment. By using the Invariant Energy Quadratization Method, we obtain a linearly implicit scheme, accelerating the computational speed. However, this introduces an auxiliary variable to replace the…
In this paper, we develop and present an arbitrary high order well-balanced finite volume WENO method combined with the modified Patankar Deferred Correction (mPDeC) time integration method for the shallow water equations. Due to the positivity-preserving property of mPDeC, the resulting scheme is unconditionally positivity preserving for the water height. To apply the mPDeC approach, we have to interpret the spatial semi-discretization in terms of production-destruction systems. Only small modifications inside the classical WENO implementation are necessary and we explain how it can be done. …
This letter revisits the energy quadratization (EQ) method by introducing a novel and essential relaxation technique to improve its accuracy and stability. The EQ method has witnessed significant popularity in the past few years. Though acknowledging its effectiveness in designing energy-stable schemes for thermodynamically consistent models, the primary known drawback is apparent, i.e., its preserves a "modified" energy law represented by auxiliary variables instead of the original variables. Truncation errors are introduced during numerical calculations so that the numerical solutions of the…
Energy Stable and Efficient Finite-Difference Nonlinear Multigrid Schemes for the Modified Phase Field Crystal Equation
North Carolina State University（北卡罗来纳州立大学）；University of Massachusetts, North Dartmouth（麻省大学诺斯敦分校）；The University of Tennessee, Knoxville（田纳西大学诺克斯维尔分校）
In this paper, we construct two kinds of exponential SAV approach with relaxation (R-ESAV) for dissipative system. The constructed schemes are linear and unconditionally energy stable. They can guarantee the positive property of SAV without any assumption compared with R-SAV and R-GSAV approaches, preserve all the advantages of the ESAV approach and satiesfy dissipation law with respect to a modified energy which is directly related to the original free energy. Moreover the second version of R-ESAV approach is easy to construct high-order BDF$k$ schemes. Especially for Navier-Stokes equations,…
Parallel energy-stable phase field crystal simulations based on domain decomposition methods
Institute of Software, Chinese Academy of Sciences（中国科学院软件研究所）；State Key Laboratory of Computer Science, Chinese Academy of Sciences（中国科学院计算机科学技术研究所）；Academy of Mathematics and Systems Science, Chinese Academy of Sciences（中国科学院数学与系统科学研究院）
In solid state physics, electronic properties of crystalline materials are often inferred from the spectrum of periodic Schrödinger operators. As a consequence of Bloch's theorem, the numerical computation of electronic quantities of interest involves computing derivatives or integrals over the Brillouin zone of so-called energy bands, which are piecewise smooth, Lipschitz continuous periodic functions obtained by solving a parametrized elliptic eigenvalue problem on a Hilbert space of periodic functions. Classical discretization strategies for resolving these eigenvalue problems produce appro…
The scalar auxiliary variable (SAV) method was introduced by Shen et al. and has been broadly used to solve thermodynamically consistent PDE problems. By utilizing scalar auxiliary variables, the original PDE problems are reformulated into equivalent PDE problems. The advantages of the SAV approach, such as linearity, unconditionally energy stability, and easy-to-implement, are prevalent. However, there is still an open issue unresolved, i.e., the numerical schemes resulted from the SAV method preserve a "modified" energy law according to the auxiliary variables instead of the original variabl…
We derive unconditionally stable and convergent variable-step BDF2 scheme for solving the MBE model with slope selection. The discrete orthogonal convolution kernels of the variable-step BDF2 method is commonly utilized recently for solving the phase field models. In this paper, we further prove some new inequalities, concerning the vector forms, for the kernels especially dealing with the nonlinear terms in the slope selection model. The convergence rate of the fully discrete scheme is proved to be two both in time and space in $L^2$ norm under the setting of the variable time steps. Energy d…
We propose a new Lagrange Multiplier approach to design unconditional energy stable schemes for gradient flows. The new approach leads to unconditionally energy stable schemes that are as accurate and efficient as the recently proposed SAV approach \cite{SAV01}, but enjoys two additional advantages: (i) schemes based on the new approach dissipate the original energy, as opposed to a modified energy in the recently proposed SAV approach \cite{SAV01}; and (ii) they do not require the nonlinear part of the free energy to be bounded from below as is required in the SAV approach. The price we pay f…
In this work, two novel classes of structure-preserving spectral Galerkin methods are proposed which based on the Crank-Nicolson scheme and the exponential scalar auxiliary variable method respectively, for solving the coupled fractional nonlinear Klein-Gordon-Schrödinger equation. The paper focuses on the theoretical analyses and computational efficiency of the proposed schemes, the Crank-Nicoloson scheme is proved to be unconditionally convergent and has the maximum-norm boundness of numerical solutions. The exponential scalar auxiliary variable scheme is linearly implicit and decoupled, but…
We consider a class of second-order Strang splitting methods for Allen-Cahn equations with polynomial or logarithmic nonlinearities. For the polynomial case both the linear and the nonlinear propagators are computed explicitly. We show that this type of Strang splitting scheme is unconditionally stable regardless of the time step. Moreover we establish strict energy dissipation for a judiciously modified energy which coincides with the classical energy up to $\mathcal O(τ)$ where $τ$ is the time step. For the logarithmic potential case, since the continuous-time nonlinear propagator no longer …
