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Xuelian Bao

Publications and source records attributed to Xuelian Bao.

7 recordsLinked to original sources

Accelerating Particle-based Energetic Variational Inference

In this work, we propose a new particle-based variational inference (ParVI) method for accelerating the Energetic Variational Inference with Implicit scheme (EVI-Im) introduced in Ref. \cite{wang2021particle}. Inspired by energy quadratization (EQ) and operator splitting techniques for gradient flows, the proposed method efficiently drives particles towards the target distribution, while retaining a meaningful stability mechanism. Unlike EVI-Im, which employs the implicit Euler method to solve variational-preserving particle dynamics obtained from a "discretization-then-variation" approach for minimizing the Kullback--Leibler divergence, the proposed algorithm avoids repeated evaluation of inter-particle interaction terms within each time step, significantly reducing computational cost. The framework is also extensible to other gradient-based sampling techniques. Through several numerical experiments, we demonstrate that the proposed method achieves competitive performance compared with existing ParVI approaches, while offering advantages in efficiency and robustness in certain regimes.

stat.ML

A deterministic-particle-based scheme for micro-macro viscoelastic flows

In this article, we introduce a new method for discretizing micro-macro models of dilute polymeric fluids by integrating a finite element discretization for the macroscopic fluid dynamic equation with a deterministic variational particle scheme for the microscopic Fokker-Planck equation. To address challenges arising from micro-macro coupling, we employ a discrete energetic variational approach to derive a coarse-grained micro-macro model with a particle approximation first and then develop a particle-FEM discretization for the coarse-grained model. The accuracy of the proposed method is evaluated for a Hookean dumbbell model in a Couette flow by comparing the computed velocity field with existing analytical solutions. We also use our method to study nonlinear FENE dumbbell models in different scenarios, such as extension flow, pure shear flow, and lid-driven cavity flow. Numerical examples demonstrate that the proposed deterministic particle approach can accurately capture the various key rheological phenomena in the original FENE model, including hysteresis and δ-function-like spike behavior in extension flows, velocity overshoot phenomenon in pure shear flow, symmetries breaking, vortex center shifting and vortices weakening in the lid-driven cavity flow, with a small number of particles.

math.NA

Micro-Macro Modeling of Polymeric Fluids with Multi-Bead Polymer Chain

This work extends the classical dumbbell (two-bead) model of polymer chains to a more detailed multi-bead representation, where each polymer chain consists of $N$ beads connected by $N-1$ springs. We develop a thermodynamically consistent micro-macro model based on the energy variational method to describe the coupled dynamics of polymer configurations and fluid flow. The resulting framework captures complex microscopic behaviors, such as bond stretching and alignment under flow, and links them to macroscopic stress responses.

cond-mat.soft

Micro-Macro Modeling of Polymeric Fluids and Shear-Induced Microscopic Behaviors

This article delves into the micro-macro modeling of polymeric fluids, considering various microscopic potential energies, including the classical Hookean potential, as well as newly proposed modified Morse and Elastic-plastic potentials. These proposed potentials encompass microscopic-scale bond-breaking processes. The development of a thermodynamically consistent micro-macro model is revisited, employing the energy variational method. To validate the model's predictions, we conduct numerical simulations utilizing a deterministic particle-FEM method. Our numerical findings shed light on the distinct behaviors exhibited by polymer chains at the micro-scale in comparison to the macro-scale velocity and induced shear stresses of fluids under shear flow. Notably, we observe that polymer elongation, rotation, and bond breaking contribute to the zero polymer-induced stress in the micro-macro model when employing Morse and Elastic-plastic potentials. Furthermore, at high shear rates, polymer rotation is found to induce shear-thinning behavior in the model employing the classical Hookean potential.

cond-mat.soft

Second order stabilized semi-implicit scheme for the Cahn-Hilliard model with dynamic boundary conditions

We study the numerical algorithm and error analysis for the Cahn-Hilliard equation with dynamic boundary conditions. A second-order in time, linear and energy stable scheme is proposed, which is an extension of the first-order stabilized approach. The corresponding energy stability and convergence analysis of the scheme are derived theoretically. Some numerical experiments are performed to verify the effectiveness and accuracy of the second-order numerical scheme, including numerical simulations under various initial conditions and energy potential functions, and comparisons with the literature works.

math.NA

Numerical approximations and error analysis of the Cahn-Hilliard equation with reaction rate dependent dynamic boundary conditions

We consider numerical approximations and error analysis for the Cahn-Hilliard equation with reaction rate dependent dynamic boundary conditions (P. Knopf et. al., arXiv, 2020). Based on the stabilized linearly implicit approach, a first-order in time, linear and energy stable scheme for solving this model is proposed. The corresponding semi-discretized-in-time error estimates for the scheme are also derived. Numerical experiments, including the comparison with the former work, the convergence results for the relaxation parameter $K\rightarrow0$ and $K\rightarrow\infty$ and the accuracy tests with respect to the time step size, are performed to validate the accuracy of the proposed scheme and the error analysis.

math.NA

Numerical Approximations and Error Analysis of the Cahn-Hilliard Equation with Dynamic Boundary Conditions

We consider the numerical approximations of the Cahn-Hilliard equation with dynamic boundary conditions (C. Liu et. al., Arch. Rational Mech. Anal., 2019). We propose a first-order in time, linear and energy stable numerical scheme, which is based on the stabilized linearly implicit approach. The energy stability of the scheme is proved and the semi-discrete-in-time error estimates are carried out. Numerical experiments, including the comparison with the former work, the accuracy tests with respect to the time step size and the shape deformation of a droplet, are performed to validate the accuracy and the stability of the proposed scheme.

math.NA