In the semiclassical regime, solutions to the time-dependent Schrödinger equation for molecular dynamics are highly oscillatory. The number of grid points required for resolving the oscillations may become very large even for simple model problems, making solution on a grid intractable. Asymptotic methods like Gaussian beams can resolve the oscillations with little effort and yield good approximations when the atomic nuclei are heavy and the potential is smooth. However, when the potential has variations on a small length-scale, quantum phenomena become important. Then asymptotic methods are less accurate. The two classes of methods perform well in different parameter regimes. This opens for hybrid methods, using Gaussian beams where we can and finite differences where we have to. We propose a new method for treating the coupling between the finite difference method and Gaussian beams. The new method reduces the needed amount of overlap regions considerably compared to previous methods, which improves the efficiency.

Based on two-grid discretization, a simplified parallel iterative finite element method for the simulation of incompressible Navier-Stokes equations is developed and analyzed. The method is based on a fixed point iteration for the equations on a coarse grid, where a Stokes problem is solved at each iteration. Then, on overlapped local fine grids, corrections are calculated in parallel by solving an Oseen problem in which the fixed convection is given by the coarse grid solution. Error bounds of the approximate solution are derived. Numerical results on examples of known analytical solutions, lid-driven cavity flow and backward-facing step flow are also given to demonstrate the effectiveness of the method.

This paper continues the senior author’s previous investigation of the slowly rotating Timoshenko beam in a horizontal plane whose movement is controlled by the angular acceleration of the disk of the driving motor into which the beam is rigidly clamped. It was shown before that this system preserves the total energy. We consider the problem of stability of the system after introducing a particular type of damping. We show that the energy of only part of the system vanishes. We illustrate obtained solution with the critical case of the infinite value of the damping coefficient.

This paper is concerned with a low-dimensional dynamical system model for analytically solving partial differential equations (PDEs). The model proposed is based on a posterior optimal truncated weighted residue (POT-WR) method, by which an infinite dimensional PDE is optimally truncated and analytically solved in required condition of accuracy. To end that, a POT-WR condition for PDE under consideration is used as a dynamically optimal control criterion with the solving process. A set of bases needs to be constructed without any reference database in order to establish a space to describe low-dimensional dynamical system that is required. The Lagrangian multiplier is introduced to release the constraints due to the Galerkin projection, and a penalty function is also employed to remove the orthogonal constraints. According to the extreme principle, a set of ordinary differential equations is thus obtained by taking the variational operation of the generalized optimal function. A conjugate gradient algorithm by FORTRAN code is developed to solve the ordinary differential equations. The two examples of one-dimensional heat transfer equation and nonlinear Burgers’ equation show that the analytical results on the method proposed are good agreement with the numerical simulations and analytical solutions in references, and the dominant characteristics of the dynamics are well captured in case of few bases used only.

In this paper, a method for extracting stress intensity factors (SIFs) in orthotropic thermoelasticity fracture by the extended finite element method (XFEM) and interaction integral method is present. The proposed method is utilized in linear elastic crack problems. The numerical results of the SIFs are presented and compared with those obtained using boundary element method (BEM). The good accordance among these two methods proves the applicability of the proposed approach and conforms its capability of efficiently extracting thermoelasticity fracture parameters in orthotropic material.

An implicit discontinuous Galerkin method is introduced to solve the time-domain Maxwell’s equations in metamaterials. The Maxwell’s equations in metamaterials are represented by integral-differential equations. Our scheme is based on discontinuous Galerkin method in spatial domain and Crank-Nicolson method in temporal domain. The fully discrete numerical scheme is proved to be unconditionally stable. When polynomial of degree at most p is used for spatial approximation, our scheme is verified to converge at a rate of O(τ2+hp+1/2). Numerical results in both 2D and 3D are provided to validate our theoretical prediction.

A heated triangular cylinder is suddenly cooled in a constant temperature bath. The transient heat conduction problem is transformed to the Helmholtz equation related to the vibration of membranes. Using the membrane analogy, exact analytic solutions for the transient heat conduction problem for three triangular cross sections are found.