arXiv subjects

Weizhu Bao

Publications and source records attributed to Weizhu Bao.

At least 73 records · Page 4Linked to original sources

arXiv2019

Long time error analysis of finite difference time domain methods for the nonlinear Klein-Gordon equation with weak nonlinearity

We establish error bounds of the finite difference time domain (FDTD) methods for the long time dynamics of the nonlinear Klein-Gordon equation (NKGE) with a cubic nonlinearity, while the nonlinearity strength is characterized by $\varepsilon^2$ with $0 <\varepsilon \leq 1$ a dimensionless parameter. When $0 < \varepsilon \ll 1$, it is in the weak nonlinearity regime and the problem is equivalent to the NKGE with small initial data, while the amplitude of the initial data (and the solution) is at $O(\varepsilon)$. Four different FDTD methods are adapted to discretize the problem and rigorous error bounds of the FDTD methods are established for the long time dynamics, i.e. error bounds are valid up to the time at $O(1/\varepsilon^β)$ with $0 \le β\leq 2$, by using the energy method and the techniques of either the cut-off of the nonlinearity or the mathematical induction to bound the numerical approximate solutions. In the error bounds, we pay particular attention to how error bounds depend explicitly on the mesh size $h$ and time step $τ$ as well as the small parameter $\varepsilon\in (0,1]$, especially in the weak nonlinearity regime when $0 < \varepsilon \ll 1$. Our error bounds indicate that, in order to get ``correct'' numerical solutions up to the time at $O(1/\varepsilon^β)$, the $\varepsilon$-scalability (or meshing strategy) of the FDTD methods should be taken as: $h = O(\varepsilon^{β/2})$ and $τ= O(\varepsilon^{β/2})$. Extensive numerical results are reported to confirm our error bounds and to demonstrate that they are sharp.

math.NA↗

arXiv2018

Regularized numerical methods for the logarithmic Schrodinger equation

We present and analyze two numerical methods for the logarithmic Schr{ö}dinger equation (LogSE) consisting of a regularized splitting method and a regularized conservative Crank-Nicolson finite difference method (CNFD). In order to avoid numerical blow-up and/or to suppress round-off error due to the logarithmic nonlinearity in the LogSE, a regularized logarithmic Schr{ö}dinger equation (RLogSE) with a small regularized parameter 0 < $ε$ $\ll$ 1 is adopted to approximate the LogSE with linear convergence rate O($ε$). Then we use the Lie-Trotter splitting integrator to solve the RLogSE and establish its error bound O($τ$ 1/2 ln($ε$ --1)) with $τ$ > 0 the time step, which implies an error bound at O($ε$ + $τ$ 1/2 ln($ε$ --1)) for the LogSE by the Lie-Trotter splitting method. In addition, the CNFD is also applied to discretize the RLogSE, which conserves the mass and energy in the discretized level. Numerical results are reported to confirm our error bounds and to demonstrate rich and complicated dynamics of the LogSE.

math.NA↗

arXiv2018

Solid-state dewetting on curved substrates

Based on the thermodynamic variation to the free energy functional, we propose a sharp-interface model for simulating solid-state dewetting of thin films on rigid curved substrates in two dimensions. This model describes the interface evolution which occurs through surface diffusion-controlled mass transport and contact point migration along the curved substrate. Furthermore, the surface energy anisotropy is easily included into the model, and the contact point migration is explicitly described by the relaxed contact angle boundary condition. We implement the mathematical model by a semi-implicit parametric finite element method to study several interesting phenomena, such as "small" particle migration on curved substrates and templated solid-state dewetting on a pre-patterned substrate. Based on ample numerical simulations, we demonstrate that, the migration velocity of a "small" solid particle is proportional to the substrate curvature gradient $\hatκ'$ and inversely proportional to the square root of the area of the particle $\sqrt{A}$, and it decreases when the isotropic Young angle $θ_i$ increases. In addition, we also observe four periodic categories of dewetting on a pre-patterned sinusoidal substrate. Our approach can provide a convenient and powerful tool to exploring how to produce well-organized nanoparticles by making use of template-assisted solid-state dewetting.

cond-mat.mtrl-sci↗

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

Ground states of Bose-Einstein condensates with higher order interaction

We analyze the ground state of a Bose-Einstein condensate in the presence of higher-order interaction (HOI), modeled by a modified Gross-Pitaevskii equation (MGPE). In fact, due to the appearance of HOI, the ground state structures become very rich and complicated. We establish the existence and non-existence results under different parameter regimes, and obtain their limiting behaviors and/or structures with different combinations of HOI and contact interactions. Both the whole space case and the bounded domain case are considered, where different structures of ground states are identified.

math-ph↗

arXiv2018

A fourth-order compact time-splitting Fourier pseudospectral method for the Dirac equation

We propose a new fourth-order compact time-splitting ($S_\text{4c}$) Fourier pseudospectral method for the Dirac equation by splitting the Dirac equation into two parts together with using the double commutator between them to integrate the Dirac equation at each time interval. The method is explicit, fourth-order in time and spectral order in space. It is unconditional stable and conserves the total density in the discretized level. It is called a compact time-splitting method since, at each time step, the number of sub-steps in $S_\text{4c}$ is much less than those of the standard fourth-order splitting method and the fourth-order partitioned Runge-Kutta splitting method. Comparison among $S_\text{4c}$ and many other existing time-splitting methods for the Dirac equation are carried out in terms of accuracy and efficiency as well as long time behavior. Numerical results demonstrate the advantage in terms of efficiency and accuracy of the proposed $S_\text{4c}$. Finally we report the spatial/temporal resolutions of $S_\text{4c}$ for the Dirac equation in different parameter regimes including the nonrelativistic limit regime, the semiclassical limit regime, and the simultaneously nonrelativisic and massless limit regime.

math.NA↗

arXiv2018

Mathematical models and numerical methods for spinor Bose-Einstein condensates

In this paper, we systematically review mathematical models, theories and numerical methods for ground states and dynamics of spinor Bose-Einstein condensates (BECs) based on the coupled Gross-Pitaevskii equations (GPEs). We start with a pseudo spin-1/2 BEC system with/without an internal atomic Josephson junction and spin-orbit coupling including (i) existence and uniqueness as well as non-existence of ground states under different parameter regimes, (ii) ground state structures under different limiting parameter regimes, (iii) dynamical properties, and (iv) efficient and accurate numerical methods for computing ground states and dynamics. Then we extend these results to spin-1 BEC and spin-2 BEC. Finally, extensions to dipolar spinor systems and/or general spin-F (F>=3) BEC are discussed.

cond-mat.quant-gas↗

arXiv2018

Error estimates of a regularized finite difference method for the logarithmic Schrödinger equation

We present a regularized finite difference method for the logarithmic Schrödinger equation (LogSE) and establish its error bound. Due to the blow-up of the logarithmic nonlinearity, i.e. $\ln ρ\to -\infty$ when $ρ\rightarrow 0^+$ with $ρ=|u|^2$ being the density and $u$ being the complex-valued wave function or order parameter, there are significant difficulties in designing numerical methods and establishing their error bounds for the LogSE. In order to suppress the round-off error and to avoid blow-up, a regularized logarithmic Schrödinger equation (RLogSE) is proposed with a small regularization parameter $0<\varepsilon\ll 1$ and linear convergence is established between the solutions of RLogSE and LogSE in term of $\varepsilon$. Then a semi-implicit finite difference method is presented for discretizing the RLogSE and error estimates are established in terms of the mesh size $h$ and time step $τ$ as well as the small regularization parameter $\varepsilon$. Finally numerical results are reported to confirm our error bounds.

math.NA↗

arXiv2018

Vortex patterns and the critical rotational frequency in rotating dipolar Bose-Einstein condensates

Based on the two-dimensional mean-field equations for pancake-shaped dipolar Bose-Einstein condensates in a rotating frame with both attractive and repulsive dipole-dipole interaction (DDI) as well as arbitrary polarization angle, we study the profiles of the single vortex state and show how the critical rotational frequency change with the s-wave contact interaction strengths, DDI strengths and the polarization angles. In addition, we find numerically that at the `magic angle' $\vartheta=\arccos(\sqrt{3}/3)$, the critical rotational frequency is almost independent of the DDI strength. By numerically solving the dipolar GPE at high rotational speed, we identify different patterns of vortex lattices which strongly depend on the polarization direction. As a result, we undergo a study of vortex lattice structures for the whole regime of polarization direction and find evidence that the vortex lattice orientation tends to be aligned with the direction of the dipoles.

cond-mat.quant-gas↗

arXiv2018

Fundamental Gaps of the Fractional Schrödinger Operator

We study asymptotically and numerically the fundamental gap -- the difference between the first two smallest (and distinct) eigenvalues -- of the fractional Schrödinger operator (FSO) and formulate a gap conjecture on the fundamental gap of the FSO. We begin with an introduction of the FSO on bounded domains with homogeneous Dirichlet boundary conditions, while the fractional Laplacian operator defined either via the local fractional Laplacian (i.e. via the eigenfunctions decomposition of the Laplacian operator) or via the classical fractional Laplacian (i.e. zero extension of the eigenfunctions outside the bounded domains and then via the Fourier transform). For the FSO on bounded domains with either the local fractional Laplacian or the classical fractional Laplacian, we obtain the fundamental gap of the FSO analytically on simple geometry without potential and numerically on complicated geometries and/or with different convex potentials. Based on the asymptotic and extensive numerical results, a gap conjecture on the fundamental gap of the FSO is formulated. Surprisingly, for two and higher dimensions, the lower bound of the fundamental gap depends not only on the diameter of the domain, but also the diameter of the largest inscribed ball of the domain, which is completely different from the case of the Schrödinger operator. Extensions of these results for the FSO in the whole space and on bounded domains with periodic boundary conditions are presented.

math.AP↗

arXiv2017

Uniform error bounds of a finite difference method for the Klein-Gordon-Zakharov system in the subsonic limit regime

We establish uniform error bounds of a finite difference method for the Klein-Gordon-Zakharov system (KGZ) with a dimensionless parameter $\varepsilon \in (0,1]$, which is inversely proportional to the acoustic speed. In the subsonic limit regime, i.e. $0<\varepsilon \ll 1$, the solution propagates highly oscillatory waves in time and/or rapid outgoing initial layers in space due to the singular perturbation in the Zakharov equation and/or the incompatibility of the initial data. Specifically, the solution propagates waves with $O(\varepsilon)$-wavelength in time and $O(1)$-wavelength in space as well as outgoing initial layers in space at speed $O(1/\varepsilon)$. This high oscillation in time and rapid outgoing waves in space of the solution cause significant burdens in designing numerical methods and establishing error estimates for KGZ. By adapting an asymptotic consistent formulation, we propose a uniformly accurate finite difference method and rigorously establish two independent error bounds at $O(h^2+τ^2/\varepsilon)$ and $O(h^2+τ+\varepsilon)$ with $h$ mesh size and $τ$ time step. Thus we obtain a uniform error bound at $O(h^2+τ)$ for $0<\varepsilon\le 1$. The main techniques in the analysis include the energy method, cut-off of the nonlinearity to bound the numerical solution, the integral approximation of the oscillatory term, and $\varepsilon$-dependent error bounds between the solutions of KGZ and its limiting model when $\varepsilon\to0^+$. Finally, numerical results are reported to confirm our error bounds.

math.NA↗

arXiv2017

Stable Equilibria of Anisotropic Particles on Substrates: a Generalized Winterbottom Construction

We present a new approach for predicting stable equilibrium shapes of crystalline islands on flat substrates, as commonly occur through solid-state dewetting of thin films. The new theory is a generalization of the widely used Winterbottom construction i.e., an extension of the Wulff construction for particles on substrates). This approach is equally applicable to cases where the crystal surface energy is isotropic, weakly anisotropic, strongly anisotropic and "cusped". We demonstrate that, unlike in the classical Winterbottom approach, multiple equilibrium island shapes may be possible when the surface energy is strongly anisotropic. We analyze these shapes through perturbation analysis, by calculating the first and second variations of the total free energy functional with respect to contact locations and island shape. Based on this analysis, we find the necessary conditions for stable equilibria and exploit this through a generalization of the Winterbottom construction to identify all possible stable equilibrium shapes. Finally, we propose a dynamical evolution method based on surface diffusion mass transport to determine whether all of the stable equilibrium shapes are dynamically accessible. Applying this approach, we demonstrate that islands with different initial shapes may evolve into different stationary shapes and show that these dynamically-determined stationary states correspond to the predicted stable equilibrium shapes, as obtained from the generalized Winterbottom construction.

cond-mat.mtrl-sci↗

arXiv2017

Fundamental gaps of the Gross-Pitaevskii equation with repulsive interaction

We study asymptotically and numerically the fundamental gaps (i.e. the difference between the first excited state and the ground state) in energy and chemical potential of the Gross-Pitaevskii equation (GPE) -- nonlinear Schrodinger equation with cubic nonlinearity -- with repulsive interaction under different trapping potentials including box potential and harmonic potential. Based on our asymptotic and numerical results, we formulate a gap conjecture on the fundamental gaps in energy and chemical potential of the GPE on bounded domains with the homogeneous Dirichlet boundary condition, and in the whole space with a convex trapping potential growing at least quadratically in the far field. We then extend these results to the GPE on bounded domains with either the homogeneous Neumann boundary condition or periodic boundary condition.

math-ph↗

arXiv2017

Triple junction drag effects during topological changes in the evolution of polycrystalline microstructures

Experiments, theory and atomistic simulations show that finite triple junction mobility results in non-equilibrium triple junction angles in evolving polycrystalline systems. These angles have been predicted and verified for cases where grain boundary migration is steady-state. Yet, steady-state never occurs during the evolution of polycrystalline microstructures as a result of changing grain size and topological events (e.g., grain face/edge switching - "$T_1$" process, or grain disappearance "$T_2$" or "$T_3$" processes). We examine the non-steady evolution of the triple junction angle in the vicinity of topological events and show that large deviations from equilibrium and/or steady-state angles occur. We analyze the characteristic relaxation time of triple junction angles $τ$ by consideration of a pair of topological events, beginning from steady-state migration. Using numerical results and theoretical analysis we predict how the triple junction angle varies with time and how $τ$ varies with triple junction mobility. We argue that it is precisely those cases where grain boundaries are moving quickly (e.g., topological process in nanocrystalline materials), that the classical steady-state prediction of the finite triple junction mobility triple junction angle is inapplicable and may only be applied qualitatively.

cond-mat.mtrl-sci↗

arXiv2016

Quantized vortex dynamics and interaction patterns in superconductivity based on the reduced dynamical law

We study analytically and numerically stability and interaction patterns of quantized vortex lattices governed by the reduced dynamical law -- a system of ordinary differential equations (ODEs) -- in superconductivity. By deriving several non-autonomous first integrals of the ODEs, we obtain qualitatively dynamical properties of a cluster of quantized vortices, including global existence, finite time collision, equilibrium solution and invariant solution manifolds. For a vortex lattice with 3 vortices, we establish orbital stability when they have the same winding number and find different collision patterns when they have different winding numbers. In addition, under several special initial setups, we can obtain analytical solutions for the nonlinear ODEs.

math.CA↗

arXiv2016

A parametric finite element method for solid-state dewetting problems with anisotropic surface energies

We propose an efficient and accurate parametric finite element method (PFEM) for solving sharp-interface continuum models for solid-state dewetting of thin films with anisotropic surface energies. The governing equations of the sharp-interface models belong to a new type of high-order (4th- or 6th-order) geometric evolution partial differential equations about open curve/surface interface tracking problems which include anisotropic surface diffusion flow and contact line migration. Compared to the traditional methods (e.g., marker-particle methods), the proposed PFEM not only has very good accuracy, but also poses very mild restrictions on the numerical stability, and thus it has significant advantages for solving this type of open curve evolution problems with applications in the simulation of solid-state dewetting. Extensive numerical results are reported to demonstrate the accuracy and high efficiency of the proposed PFEM.

math.NA↗

arXiv2016

Error estimates of numerical methods for the nonlinear Dirac equation in the nonrelativistic limit regime

We present several numerical methods and establish their error estimates for the discretization of the nonlinear Dirac equation in the nonrelativistic limit regime, involving a small dimensionless parameter $0<\varepsilon\ll 1$ which is inversely proportional to the speed of light. In this limit regime, the solution is highly oscillatory in time, i.e. there are propagating waves with wavelength $O(\varepsilon^2)$ and $O(1)$ in time and space, respectively. We begin with the conservative Crank-Nicolson finite difference (CNFD) method and establish rigorously its error estimate which depends explicitly on the mesh size $h$ and time step $τ$ as well as the small parameter $0<\varepsilon\le 1$. Based on the error bound, in order to obtain `correct' numerical solutions in the nonrelativistic limit regime, i.e. $0<\varepsilon\ll 1$, the CNFD method requests the $\varepsilon$-scalability: $τ=O(\varepsilon^3)$ and $h=O(\sqrt{\varepsilon})$. Then we propose and analyze two numerical methods for the discretization of the nonlinear Dirac equation by using the Fourier spectral discretization for spatial derivatives combined with the exponential wave integrator and time-splitting technique for temporal derivatives, respectively. Rigorous error bounds for the two numerical methods show that their $\varepsilon$-scalability is improved to $τ=O(\varepsilon^2)$ and $h=O(1)$ when $0<\varepsilon\ll 1$ compared with the CNFD method. Extensive numerical results are reported to confirm our error estimates.

math.NA↗

arXiv2016

Uniform error bounds of a finite difference method for the Zakharov system in the subsonic limit regime via an asymptotic consistent formulation

We present a uniformly accurate finite difference method and establish rigorously its uniform error bounds for the Zakharov system (ZS) with a dimensionless parameter $0<\varepsilon\le 1$, which is inversely proportional to the speed of sound. In the subsonic limit regime, i.e., $0<\varepsilon\ll 1$, the solution propagates highly oscillatory waves and/or rapid outgoing initial layers due to the perturbation of the wave operator in ZS and/or the incompatibility of the initial data which is characterized by two nonnegative parameters $α$ and $β$. Specifically, the solution propagates waves with $O(\varepsilon)$- and $O(1)$-wavelength in time and space, respectively, and amplitude at $O(\varepsilon^{\min\{2,α,1+β\}})$ and $O(\varepsilon^α)$ for well-prepared ($α\ge1$) and ill-prepared ($0\le α<1$) initial data, respectively. This high oscillation of the solution in time brings significant difficulties in designing numerical methods and establishing their error bounds, especially in the subsonic limit regime. A uniformly accurate finite difference method is proposed by reformulating ZS into an asymptotic consistent formulation and adopting an integral approximation of the oscillatory term. By adapting the energy method and using the limiting equation via a nonlinear Schrödinger equation with an oscillatory potential, we rigorously establish two independent error bounds and obtain error bounds at $O(h^2+τ^{4/3})$ and $O(h^2+τ^{1+\fracα{2+α}})$ for well-prepared and ill-prepared initial data, respectively, which are uniform in both space and time for $0<\varepsilon\le 1$ and optimal at the second order in space. Numerical results are reported to demonstrate that our error bounds are sharp.

math.NA↗