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Xuelong Gu

Publications and source records attributed to Xuelong Gu.

12 recordsLinked to original sources

Generalized skew-gradient embedding for thermodynamically consistent systems

The skew-gradient embedding (SGE) framework~\cite{GuWangSGE2025} reformulates a thermodynamically consistent system as a generalized gradient flow by embedding its zero-energy contribution in a skew-symmetric operator. In a time-discrete scheme, the profiles defining this operator may be evaluated at previous time levels. The resulting operator remains skew-symmetric, so its contribution to the discrete energy balance vanishes; this explicit treatment often decouples multiphysics systems. We show that this operator is not unique: the admissible gauges form an affine space, and we call the resulting family generalized skew-gradient embeddings (GSGE). For any positive definite metric, least squares selects a unique minimum-Hilbert--Schmidt gauge, and the native metric recovers SGE. This construction also gives regularized approximations, corrections of non-neutral residuals, and gauges that preserve prescribed invariants. For rank-two gauges, we use a necessary and sufficient Jacobi criterion. Applying this criterion to a compatible MAC discretization of the incompressible Navier--Stokes equations gives a finite-dimensional rank-two Poisson--GENERIC formulation at the semi-discrete level; the implicit midpoint rule preserves this rank-two GENERIC structure at the fully discrete level and satisfies the exact discrete energy law. For the Cahn--Hilliard--Navier--Stokes system, the regularized GSGE--BDF2 scheme preserves mass, dissipates the discrete energy unconditionally, and admits a decoupled implementation.

math.NA

An Energy-Stable Implicit Convex-Splitting BDF2 Scheme for the Cahn-Hilliard-Navier-Stokes Equations

We develop an energy-stable implicit convex-splitting BDF2 discretization (CS-BDF2) of the Cahn--Hilliard--Navier--Stokes equations. For the Cahn--Hilliard equation, BDF2 analyses can establish energy stability by testing the phase equation in the (H^{-1}) metric. For CHNS, this test is not compatible with the coupled energy estimate: the momentum equation is tested by (\bfu^{n+1}), while the transported phase equation is tested by (\mu^{n+1}) so that transport cancels capillary work. The chemical-potential relation must then be paired with the BDF2 phase increment ((3\phi^{n+1}-4\phi^n+\phi^{n-1})/2); its nonlinear part must produce a BDF2 bulk-energy difference, up to nonnegative higher-order history terms. To overcome this difficulty, we introduce a new BDF2-compatible convex-splitting approximation of the nonlinear bulk force that directly yields a discrete bulk-energy identity and enables a discrete energy analysis for the CHNS system. Specifically, we discretize the bulk force (f(\phi)=\phi^3-\phi) by (\chi(\phi^{\dagger,n+1},\phi^{\dagger,n})-\phi^{*,n+1}), where (\chi(a,b)=\tfrac14(a^2+b^2)(a+b)), (\phi^{\dagger,n+1}=\tfrac{3\phi^{n+1}-\phi^n}{2}), (\phi^{\dagger,n}=\tfrac{3\phi^n-\phi^{n-1}}{2}), and (\phi^{*,n+1}=2\phi^n-\phi^{n-1}). This discretization is based on the shifted BDF2 identity ((3\phi^{n+1}-4\phi^n+\phi^{n-1})/2=\phi^{\dagger,n+1}-\phi^{\dagger,n}). With a matching discretization of the reversible coupling terms in CHNS, the scheme is mass conservative, uniquely solvable, and unconditionally energy stable. We prove second-order convergence for the phase variable, chemical potential, velocity, and pressure.

math.NA

An Efficient Solver for the Richards Equation for Variably Saturated Flows in Porous Media

We present a nonlinear multigrid solver for the Richards equation in variably saturated porous media with strongly nonlinear hydraulic conductivity and water-retention relationships. The governing equation is discretized using a second-order conservative finite-difference scheme in space and an implicit backward differentiation formula in time. The core component of the solver is a nonlinear Gauss--Seidel (NGS) smoother based on a triangular splitting of the diffusion operator combined with diagonal stabilization. This construction yields a sequence of locally decoupled scalar nonlinear problems that can be solved efficiently and robustly using only a few Newton iterations. Under suitable monotonicity assumptions, we establish the convergence of the NGS iteration in the $L^\infty$ norm and derive explicit conditions on the stabilization parameters. Numerical experiments for benchmark infiltration, drainage, and root-uptake problems demonstrate that the proposed NGS-based multigrid framework is both computationally efficient and robust.

math.NA

A Structure-Preserving PML-Domain-Embedding Method for Acoustic Wave Scattering by Moving Objects

We develop a structure-preserving computational framework for acoustic wave scattering by moving objects, comprising a new PML-domain-embedding model and a compatible numerical approximation. The model couples a perfectly matched layer (PML), used to truncate the acoustic wave equation, with a domain-embedding formulation that represents moving objects on a fixed computational domain. The resulting PML-domain-embedding (PML-DE) system enables moving-boundary scattering problems to be solved without remeshing. Using matched asymptotic expansions, we show that the diffuse-interface formulation converges to the corresponding sharpinterface system as the interface thickness tends to zero. We then construct an energy-dissipationrate-preserving finite-difference scheme for the PML-DE system. To improve computational efficiency, the scheme is combined with hierarchical local refinement informed by the moving-object location, the fixed PML region, and the evolving wave dynamics, all within the fixed computational domain. Numerical experiments demonstrate the accuracy of the computed scattering solutions, the effectiveness of the absorbing layer and object-embedding strategy, and the efficiency of the adaptive algorithm. The proposed framework provides a practical and robust computational approach for engineering applications involving complex acoustic wave-scattering problems.

math.NA

Efficient Numerical Schemes for a Two-Phase Hydrodynamical Model of Active Liquid Crystals and Solids

We propose several linear, fully decoupled numerical schemes with first- and second-order temporal accuracy for a novel Q-tensor-based two-phase hydrodynamic model describing the coupling of active nematic liquid crystal solutions with isotropic solid substrates. The model is derived from the generalized Onsager principle and includes nontrivial terms that contribute zero to the total free-energy dissipation. We prove that the proposed decoupled linear schemes are thermodynamically consistent at the discrete level. In the passive limit, the SGE-BDF1 and SGE-PDG schemes are unconditionally energy stable, while the SGE-BDF2 scheme is energy stable with respect to a modified energy under a standard boundedness assumption and a sufficiently large stabilization parameter. We perform extensive numerical simulations to investigate how activity and other model parameters affect active nematic fluid-solid interactions. Finally, we analyze the physical mechanisms underlying the observed behaviors, providing deeper insight into the dynamics of soft confined active nematic fluids.

math.NA

Skew Gradient Embedding for Thermodynamically Consistent Systems

We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient flows. These models include a wide spectrum of models in classical electrodynamics, fluid mechanics, quantum mechanics, rheology of complex fluids, solid mechanics, and statistical physics. Exploiting the intrinsic structure of generalized gradient flow models, especially, the skew symmetric component expressed by the exterior 2-form, we develop a unified stabilization strategy for constructing numerical schemes that either preserve the energy dissipation rate or ensure discrete energy stability. This stabilization strategy enables the design of both first- and second-order schemes, highlighting the flexibility and generality of the SGE approach in algorithm development. A key strength of SGE is its flexible treatment of skew-gradient (zero-energy-contribution) terms arising from reversible dynamics either implicitly or explicitly. While treated explicitly, it often leads to a natural decoupling of the governing equations in multiphysics systems, thereby improving computational efficiency without compromising stability or accuracy. Numerical experiments confirm the robustness, accuracy, and performance advantages of the proposed schemes.

math.NA

Energy-Stable Swarm-Based Inertial Algorithms for Optimization

We formulate the swarming optimization problem as a weakly coupled, dissipative dynamical system governed by a controlled energy dissipation rate and initial velocities that adhere to the nonequilibrium Onsager principle. In this framework, agents' inertia, positions, and masses are dynamically coupled. To numerically solve the system, we develop a class of efficient, energy-stable algorithms that either preserve or enhance energy dissipation at the discrete level. At equilibrium, the system tends to converge toward one of the lowest local minima explored by the agents, thereby improving the likelihood of identifying the global minimum. Numerical experiments confirm the effectiveness of the proposed approach, demonstrating significant advantages over traditional swarm-based gradient descent methods, especially when operating with a limited number of agents.

math.NA

Explicit and CPU/GPU parallel energy-preserving schemes for the Klein-Gordon-Schr\"odinger equations

A highly efficient energy-preserving scheme for univariate conservative or dissipative systems was recently proposed in [Comput. Methods Appl. Mech. Engrg. 425 (2024) 116938]. This scheme is based on a grid-point partitioned averaged vector field (AVF) method, allowing for pointwise decoupling and easy implementation of CPU parallel computing. In this article, we further extend this idea to multivariable coupled systems and propose a dual-partition AVF method that employs a dual partitioning strategy based on both variables and grid points. The resulting scheme is decoupled, energy-preserving, and exhibits greater flexibility. For the Klein-Gordon-Schr\"odinger equations, we apply the dual-partition AVF method and construct fully explicit energy-preserving schemes with pointwise decoupling, where the computational complexity per time step is $\mathcal{O}(N^d)$, with $d$ representing the problem dimension and $N$ representing the number of grid points in each direction. These schemes not only enable CPU parallelism but also support parallel computing on GPUs by adopting an update strategy based on a checkerboard grid pattern, significantly improving the efficiency of solving high-dimensional problems. Numerical experiments confirm the conservation properties and high efficiency of the proposed schemes.

math.NA

Solution landscape of droplet on rough surfaces: wetting transition and directional transport

Droplets on rough surfaces can exhibit various stationary states that are crucial for designing hydrophobic materials and enabling directional liquid transport. Here we introduce a phase-field saddle dynamics method to construct the solution landscape of wetting transition and directional transport on pillared substrates. By applying this method, we reveal the full range of Cassie-Baxter and Wenzel states, along with the complete wetting transition paths. We further elucidate the mechanisms of directional droplet transport on both hydrophobic and hydrophilic surfaces, demonstrating how surface design can influence directional movement.

cond-mat.soft

A novel high-order linearly implicit and energy-stable additive Runge-Kutta methods for gradient flow models

This paper introduces a novel paradigm for constructing linearly implicit and high-order unconditionally energy-stable schemes for general gradient flows, utilizing the scalar auxiliary variable (SAV) approach and the additive Runge-Kutta (ARK) methods. We provide a rigorous proof of energy stability, unique solvability, and convergence. The proposed schemes generalizes some recently developed high-order, energy-stable schemes and address their shortcomings. On the one other hand, the proposed schemes can incorporate existing SAV-RK type methods after judiciously selecting the Butcher tables of ARK methods \cite{sav_li,sav_nlsw}. The order of a SAV-RKPC method can thus be confirmed theoretically by the order conditions of the corresponding ARK method. Several new schemes are constructed based on our framework, which perform to be more stable than existing SAV-RK type methods. On the other hand, the proposed schemes do not limit to a specific form of the nonlinear part of the free energy and can achieve high order with fewer intermediate stages compared to the convex splitting ARK methods \cite{csrk}. Numerical experiments demonstrate stability and efficiency of proposed schemes.

math.NA

Energy stable and maximum bound principle preserving schemes for the Allen-Cahn equation based on the Saul'yev methods

The energy dissipation law and maximum bound principle are significant characteristics of the Allen-Chan equation. To preserve discrete counterpart of these properties, the linear part of the target system is usually discretized implicitly, resulting in a large linear or nonlinear system of equations. The Fast Fourier Transform (FFT) algorithm is commonly used to solve the resulting linear or nonlinear systems with computational costs of $\mathcal{O}(M^d log M)$ at each time step, where $M$ is the number of spatial grid points in each direction, and $d$ is the dimension of the problem. Combining the Saul'yev methods and the stabilized technique, we propose and analyze novel first- and second-order numerical schemes for the Allen-Cahn equation in this paper. In contrast to the traditional methods, the proposed methods can be solved by components, requiring only $\mathcal{O}(M^d)$ computational costs per time step. Additionally, they preserve the maximum bound principle and original energy dissipation law at the discrete level. We also propose rigorous analysis of their consistency and convergence. Numerical experiments are conducted to confirm the theoretical analysis and demonstrate the efficiency of the proposed methods.

math.NA

Linearly implicit energy-preserving integrating factor methods for the 2D nonlinear Schrödinger equation with wave operator and convergence analysis

In this paper, we develop a novel class of linear energy-preserving integrating factor methods for the 2D nonlinear Schrödinger equation with wave operator (NLSW), combining the scalar auxiliary variable approach and the integrating factor methods. A second-order scheme is first proposed, which is rigorously proved to be energy-preserving. By using the energy methods, we analyze its optimal convergence in the $H^1$ norm without any restrictions on the grid ratio, where a novel technique and an improved induction argument are proposed to overcome the difficulty posed by the unavailability of a priori $L^\infty$ estimates of numerical solutions. Based on the integrating factor Runge-Kutta methods, we extend the proposed scheme to arbitrarily high order, which is also linear and conservative. Numerical experiments are presented to confirm the theoretical analysis and demonstrate the advantages of the proposed methods.

math.NA