arXiv subjects

Quan Zhao

Publications and source records attributed to Quan Zhao.

At least 37 records · Page 2Linked to original sources

arXiv2023

Unfitted finite element methods for axisymmetric two-phase flow

We propose and analyze unfitted finite element approximations for the two-phase incompressible Navier--Stokes flow in an axisymmetric setting. The discretized schemes are based on an Eulerian weak formulation for the Navier--Stokes equation in the 2d-meridian halfplane, together with a parametric formulation for the generating curve of the evolving interface. We use the lowest order Taylor--Hood and piecewise linear elements for discretizing the Navier--Stokes formulation in the bulk and the moving interface, respectively. We discuss a variety of schemes, amongst which is a linear scheme that enjoys an equidistribution property on the discrete interface and good volume conservation. An alternative scheme can be shown to be unconditionally stable and to conserve the volume of the two phases exactly. Numerical results are presented to show the robustness and accuracy of the introduced methods for simulating both rising bubble and oscillating droplet experiments.

math.NA↗

arXiv2023

Structure-preserving discretizations of two-phase Navier-Stokes flow using fitted and unfitted approaches

We consider the numerical approximation of a sharp-interface model for two-phase flow, which is given by the incompressible Navier-Stokes equations in the bulk domain together with the classical interface conditions on the interface. We propose structure-preserving finite element methods for the model, meaning in particular that volume preservation and energy decay are satisfied on the discrete level. For the evolving fluid interface, we employ parametric finite element approximations that introduce an implicit tangential velocity to improve the quality of the interface mesh. For the two-phase Navier-Stokes equations, we consider two different approaches: an unfitted and a fitted finite element method, respectively. In the unfitted approach, the constructed method is based on an Eulerian weak formulation, while in the fitted approach a novel arbitrary Lagrangian-Eulerian (ALE) weak formulation is introduced. Using suitable discretizations of these two formulations, we introduce two finite element methods and prove their structure-preserving properties. Numerical results are presented to show the accuracy and efficiency of the introduced methods.

math.NA↗

arXiv2022

A diffuse-interface approach for solid-state dewetting with anisotropic surface energies

We present a diffuse-interface model for the solid-state dewetting problem with anisotropic surface energies in ${\mathbb R}^d$ for $d\in\{2,3\}$. The introduced model consists of the anisotropic Cahn--Hilliard equation, with either a smooth or a double-obstacle potential, together with a degenerate mobility function and appropriate boundary conditions on the wall. Upon regularizing the introduced diffuse-interface model, and with the help of suitable asymptotic expansions, we recover as the sharp-interface limit the anisotropic surface diffusion flow for the interface together with an anisotropic Young's law and a zero-flux condition at the contact line of the interface with a fixed external boundary. Furthermore, we show the existence of weak solutions for the regularized model, for both smooth and obstacle potential. Numerical results based on an appropriate finite element approximation are presented to demonstrate the excellent agreement between the proposed diffuse-interface model and its sharp-interface limit.

math.AP↗

arXiv2022

A structure-preserving finite element approximation of surface diffusion for curve networks and surface clusters

We consider the evolution of curve networks in two dimensions (2d) and surface clusters in three dimensions (3d). The motion of the interfaces is described by surface diffusion, with boundary conditions at the triple junction points/lines, where three interfaces meet, and at the boundary points/lines, where an interface meets a fixed planar boundary. We propose a parametric finite element method based on a suitable variational formulation. The constructed method is semi-implicit and can be shown to satisfy the volume conservation of each enclosed bubble and the unconditional energy-stability, thus preserving the two fundamental geometric structures of the flow. Besides, the method has very good properties with respect to the distribution of mesh points, thus no mesh smoothing or regularization technique is required. A generalization of the introduced scheme to the case of anisotropic surface energies and non-neutral external boundaries is also considered. Numerical results are presented for the evolution of two-dimensional curve networks and three-dimensional surface clusters in the cases of both isotropic and anisotropic surface energies.

math.NA↗

arXiv2022

Volume-preserving parametric finite element methods for axisymmetric geometric evolution equations

We propose and analyze volume-preserving parametric finite element methods for surface diffusion, conserved mean curvature flow and an intermediate evolution law in an axisymmetric setting. The weak formulations are presented in terms of the generating curves of the axisymmetric surfaces. The proposed numerical methods are based on piecewise linear parametric finite elements. The constructed fully practical schemes satisfy the conservation of the enclosed volume. In addition, we prove the unconditional stability and consider the distribution of vertices for the discretized schemes. The introduced methods are implicit and the resulting nonlinear systems of equations can be solved very efficiently and accurately via the Newton's iterative method. Numerical results are presented to show the accuracy and efficiency of the introduced schemes for computing the considered axisymmetric geometric flows.

math.NA↗

arXiv2022

GRecX: An Efficient and Unified Benchmark for GNN-based Recommendation

In this paper, we present GRecX, an open-source TensorFlow framework for benchmarking GNN-based recommendation models in an efficient and unified way. GRecX consists of core libraries for building GNN-based recommendation benchmarks, as well as the implementations of popular GNN-based recommendation models. The core libraries provide essential components for building efficient and unified benchmarks, including FastMetrics (efficient metrics computation libraries), VectorSearch (efficient similarity search libraries for dense vectors), BatchEval (efficient mini-batch evaluation libraries), and DataManager (unified dataset management libraries). Especially, to provide a unified benchmark for the fair comparison of different complex GNN-based recommendation models, we design a new metric GRMF-X and integrate it into the FastMetrics component. Based on a TensorFlow GNN library tf_geometric, GRecX carefully implements a variety of popular GNN-based recommendation models. We carefully implement these baseline models to reproduce the performance reported in the literature, and our implementations are usually more efficient and friendly. In conclusion, GRecX enables uses to train and benchmark GNN-based recommendation baselines in an efficient and unified way. We conduct experiments with GRecX, and the experimental results show that GRecX allows us to train and benchmark GNN-based recommendation baselines in an efficient and unified way. The source code of GRecX is available at https://github.com/maenzhier/GRecX.

cs.IR↗

arXiv2021

A Level Set Method for the Simulation of Moving Contact Lines in Three Dimensions

We propose an efficient numerical method for the simulation of multi-phase flows with moving contact lines in three dimensions. The mathematical model consists of the incompressible Navier-Stokes equations for the two immiscible fluids with the standard interface conditions, the Navier slip condition along the solid wall, and a contact angle condition which relates the dynamic contact angle to the normal velocity of the contact line (Ren et al. (2010) \cite{Ren10}). In the numerical method, the governing equations for the fluid dynamics are coupled with an advection equation for a level-set function. The latter models the dynamics of the fluid interface. Following the standard practice, the interface conditions are taken into account by introducing a singular force on the interface in the momentum equation. This results in a single set of governing equations in the whole fluid domain. Similar to the treatment of the interface conditions, the contact angle condition is imposed by introducing a singular force, which acts in the normal direction of the contact line, into the Navier slip condition. The new boundary condition, which unifies the Navier slip condition and the contact angle condition, is imposed along the solid wall. The model is solved using the finite difference method. Numerical results, including a convergence study, are presented for the spreading of a droplet on both homogeneous and inhomogeneous solid walls, as well as the dynamics of a droplet on an inclined plate under gravity.

physics.flu-dyn↗

arXiv2021

A structure-preserving parametric finite element method for surface diffusion

We propose a structure-preserving parametric finite element method (SP-PFEM) for discretizing the surface diffusion of a closed curve in two dimensions (2D) or surface in three dimensions (3D). Here the "structure-preserving" refers to preserving the two fundamental geometric structures of the surface diffusion flow: (i) the conservation of the area/volume enclosed by the closed curve/surface, and (ii) the decrease of the perimeter/total surface area of the curve/surface. For simplicity of notations, we begin with the surface diffusion of a closed curve in 2D and present a weak (variational) formulation of the governing equation. Then we discretize the variational formulation by using the backward Euler method in time and piecewise linear parametric finite elements in space, with a proper approximation of the unit normal vector by using the information of the curves at the current and next time step. The constructed numerical method is shown to preserve the two geometric structures and also enjoys the good property of asymptotic equal mesh distribution. The proposed SP-PFEM is "weakly" implicit (or almost semi-implicit) and the nonlinear system at each time step can be solved very efficiently and accurately by the Newton's iterative method. The SP-PFEM is then extended to discretize the surface diffusion of a closed surface in 3D. Extensive numerical results, including convergence tests, structure-preserving property and asymptotic equal mesh distribution, are reported to demonstrate the accuracy and efficiency of the proposed SP-PFEM for simulating surface diffusion in 2D and 3D.

math.NA↗

arXiv2021

A Thermodynamically Consistent Model and Its Conservative Numerical Approximation for Moving Contact Lines with Soluble Surfactants

We derive a continuum sharp-interface model for moving contact lines with soluble surfactants in a thermodynamically consistent framework. The model consists of the isothermal two-phase incompressible Navier-Stokes equations for the fluid dynamic and the bulk\slash surface convection-diffusion equations for the surfactant transportation. The interface condition, the slip boundary condition, the dynamic contact angle condition, and the adsorption\slash desorption condition are derived based on the principle of the total free energy dissipation. In particular, we recover classical adsorption isotherms from different forms of the surface free energy. The model is then numerically solved in two spatial dimensions. We present an Eulerian weak formulation for the Navier-Stokes equations together with an arbitrary Lagrangian-Eulerian weak formulation for the surfactant transport equations. Finite element approximations are proposed to discretize the two weak formulations on the moving mesh. The resulting numerical method is shown to conserve the total mass of the surfactants exactly. By using the proposed model and its numerical method, we investigate the droplet spreading and migration in the presence of surfactants and study their dependencies on various dimensionless adsorption parameters.

physics.flu-dyn↗

arXiv2021

Efficient Graph Deep Learning in TensorFlow with tf_geometric

We introduce tf_geometric, an efficient and friendly library for graph deep learning, which is compatible with both TensorFlow 1.x and 2.x. tf_geometric provides kernel libraries for building Graph Neural Networks (GNNs) as well as implementations of popular GNNs. The kernel libraries consist of infrastructures for building efficient GNNs, including graph data structures, graph map-reduce framework, graph mini-batch strategy, etc. These infrastructures enable tf_geometric to support single-graph computation, multi-graph computation, graph mini-batch, distributed training, etc.; therefore, tf_geometric can be used for a variety of graph deep learning tasks, such as transductive node classification, inductive node classification, link prediction, and graph classification. Based on the kernel libraries, tf_geometric implements a variety of popular GNN models for different tasks. To facilitate the implementation of GNNs, tf_geometric also provides some other libraries for dataset management, graph sampling, etc. Different from existing popular GNN libraries, tf_geometric provides not only Object-Oriented Programming (OOP) APIs, but also Functional APIs, which enable tf_geometric to handle advanced graph deep learning tasks such as graph meta-learning. The APIs of tf_geometric are friendly, and they are suitable for both beginners and experts. In this paper, we first present an overview of tf_geometric's framework. Then, we conduct experiments on some benchmark datasets and report the performance of several popular GNN models implemented by tf_geometric.

cs.LG↗

arXiv2020

A Finite Element Method for Electrowetting on Dielectric

We consider the problem of electrowetting on dielectric (EWoD). The system involves the dynamics of a conducting droplet, which is immersed in another dielectric fluid, on a dielectric substrate under an applied voltage. The fluid dynamics is modeled by the two-phase incompressible Navier-Stokes equations with the standard interface conditions, the Navier slip condition on the substrate, and a contact angle condition which relates the dynamic contact angle and the contact line velocity, as well as the kinematic condition for the evolution of the interface. The electric force acting on the fluid interface is modeled by Maxwell's equations in the domain occupied by the dielectric fluid and the dielectric substrate. We develop a numerical method for the model based on its weak form. This method combines the finite element method for the Navier-Stokes equations on a fixed bulk mesh with a parametric finite element method for the dynamics of the fluid interface, and the boundary integral method for the electric force along the fluid interface. Numerical examples are presented to demonstrate the accuracy and convergence of the numerical method, the effect of various physical parameters on the interface profile, and other interesting phenomena such as the transportation of droplet driven by the applied non-uniform electric potential difference.

physics.comp-ph↗

arXiv2020

An energy-stable parametric finite element method for simulating solid-state dewetting

We propose an energy-stable parametric finite element method (ES-PFEM) for simulating solid-state dewetting of thin films in two dimensions via a sharp-interface model, which is governed by surface diffusion and contact line (point) migration together with proper boundary conditions. By reformulating the relaxed contact angle condition into a Robin-type boundary condition and then treating it as a natural boundary condition, we obtain a new variational formulation for the problem, in which the interface curve and its contact points are evolved simultaneously. Then, the variational problem is discretized in space by using piecewise linear elements. A full discretization is presented by adopting the backward Euler method in time, and the well-posedness and energy dissipation of the full discretization are established. The numerical method is semi-implicit (i.e., a linear system to be solved at each time step and thus efficient), unconditionally energy-stable with respect to the time step, and second-order in space measured by a manifold distance between two curves. In addition, it demonstrates equal mesh distribution when the solution reaches its equilibrium, i.e., long-time dynamics. Numerical results are reported to show accuracy and efficiency as well as some good properties of the proposed numerical method.

math.NA↗

arXiv2020

Sharp-interface model for simulating solid-state dewetting in three dimensions

The problem of simulating solid-state dewetting of thin films in three dimensions (3D) by using a sharp-interface approach is considered in this paper. Based on the thermodynamic variation, a speed method is used for calculating the first variation to the total surface energy functional. The speed method shares more advantages than the traditional use of parameterized curves (or surfaces), e.g., it is more intrinsic and its variational structure (related with Cahn-Hoffman $\boldsymbolξ$-vector) is clearer and more direct. By making use of the first variation, necessary conditions for the equilibrium shape of the solid-state dewetting problem is given, and a kinetic sharp-interface model which includes the surface energy anisotropy is also proposed. This sharp-interface model describes the interface evolution in 3D which occurs through surface diffusion and contact line migration. By solving the proposed model, we perform lots of numerical simulations to investigate the evolution of patterned films, e.g., the evolution of a short cuboid and pinch-off of a long cuboid. Numerical simulations in 3D demonstrate the accuracy and efficacy of the sharp-interface approach to capture many of the complexities observed in solid-state dewetting experiments.

cond-mat.soft↗

arXiv2020

An Energy-stable Finite Element Method for the Simulation of Moving Contact Lines in Two-phase Flows

We consider the dynamics of two-phase fluids, in particular the moving contact line, on a solid substrate. The dynamics are governed by the sharp-interface model consisting of the incompressible Navier-Stokes\slash Stokes equations with the classical interface conditions, the Navier boundary condition for the slip velocity along the wall and a contact line condition which relates the dynamic contact angle of the interface to the contact line velocity. We propose an efficient numerical method for the model. The method combines a finite element method for the Navier-Stokes/Stokes equations on a moving mesh with a parametric finite element method for the dynamics of the fluid interface. The contact line condition is formulated as a time-dependent Robin-type of boundary condition for the interface so it is naturally imposed in the weak form of the contact line model. For the Navier-Stokes equations, the numerical scheme obeys a similar energy law as in the continuum model but up to an error due to the interpolation of numerical solutions on the moving mesh. In contrast, for Stokes flows, the interpolation is not needed so we can prove the global unconditional stability of the numerical method in terms of the energy. Numerical examples are presented to demonstrate the convergence and accuracy of the numerical methods.

physics.comp-ph↗

arXiv2019

A parametric finite element method for solid-state dewetting problems in three dimensions

We propose a parametric finite element method (PFEM) for efficiently solving the morphological evolution of solid-state dewetting of thin films on a flat rigid substrate in three dimensions (3D). The interface evolution of the dewetting problem in 3D is described by a sharp-interface model, which includes surface diffusion coupled with contact line migration. A variational formulation of the sharp-interface model is presented, and a PFEM is proposed for spatial discretization. For temporal discretization, at each time step, we first update the position of the contact line according to the relaxed contact angle condition; then, by using the position of the new contact line as the boundary condition, we solve a linear algebra system resulted from the discretization of PFEM to obtain the new interface surface for the next step. The well-posedness of the solution of the PFEM is also established. Extensive numerical results are reported to demonstrate the accuracy and efficiency of the proposed PFEM and to show the complexities of the dewetting morphology evolution observed in solid-state dewetting experiments.

physics.comp-ph↗

arXiv2018

Application of Onsager's variational principle to the dynamics of a solid toroidal island on a substrate

In this paper, we consider the capillarity-driven evolution of a solid toroidal island on a flat rigid substrate, where mass transport is controlled by surface diffusion. This problem is representative of the geometrical complexity associated with the solid-state dewetting of thin films on substrates. We apply Onsager's variational principle to develop a general approach for describing surface diffusion-controlled problems. Based on this approach, we derive a simple, reduced-order model and obtain an analytical expression for the rate of island shrinking and validate this prediction by numerical simulations based on a full, sharp-interface model. We find that the rate of island shrinking is proportional to the material constants $B$ and the surface energy density $γ_0$, and is inversely proportional to the island volume $V_0$. This approach represents a general tool for modeling interface diffusion-controlled morphology evolution.

cond-mat.soft↗

arXiv2018

A sharp-interface model and its numerical approximation for solid-state dewetting with axisymmetric geometry

Based on the thermodynamic variation, we rigorously derive the sharp-interface model for solid-state dewetting on a flat substrate in the form of cylindrical symmetry. The governing equations for the model belong to fourth-order geometric curve evolution partial differential equations, with proper boundary conditions such that the total volume of the system is conserved and the total energy is dissipative during the time evolution. We propose a variational formulation for the sharp-interface model and then apply the parametric finite element method for solving it efficiently. Extensive numerical simulation results are presented lastly to demonstrate the morphological characteristics for solid-state dewetting.

cond-mat.mtrl-sci↗

arXiv2018

Sharp-interface approach for simulating solid-state dewetting in two dimensions: a Cahn-Hoffman $\boldsymbolξ$-vector formulation

By using a Cahn-Hoffman $\boldsymbolξ$-vector formulation, we propose a sharp-interface approach for solving solid-state dewetting problems in two dimensions. First, based on the thermodynamic variation and smooth vector-field perturbation method, we rigorously derive a sharp-interface model with weakly anisotropic surface energies, and this model describes the interface evolution which occurs through surface diffusion flow and contact line migration. Second, a parametric finite element method in terms of the $\boldsymbolξ$-vector formulation is proposed for numerically solving the sharp-interface model. By performing numerical simulations, we examine several specific evolution processes for solid-state dewetting of thin films, e.g., the evolution of small islands, pinch-off of large islands and power-law retraction dynamics of semi-infinite step films, and these simulation results are highly consistent with experimental observations. Finally, we also include the strong surface energy anisotropy into the sharp-interface model and design its corresponding numerical scheme via the $\boldsymbolξ$-vector formulation.

cond-mat.soft↗