An all speed scheme for the Isentropic Euler equations is presented in this paper. When the Mach number tends to zero, the compressible Euler equations converge to their incompressible counterpart, in which the density becomes a constant. Increasing approximation errors and severe stability constraints are the main difficulty in the low Mach regime. The key idea of our all speed scheme is the special semi-implicit time discretization, in which the low Mach number stiff term is divided into two parts, one being treated explicitly and the other one implicitly. Moreover, the flux of the density equation is also treated implicitly and an elliptic type equation is derived to obtain the density. In this way, the correct limit can be captured without requesting the mesh size and time step to be smaller than the Mach number. Compared with previous semi-implicit methods, firstly, nonphysical oscillations can be suppressed by choosing proper parameter, besides, only a linear elliptic equation needs to be solved implicitly which reduces much computational cost. We develop this semi-implicit time discretization in the framework of a first order Local Lax-Friedrichs (or Rusanov) scheme and numerical tests are displayed to demonstrate its performances.

A new finite element level set method is developed to simulate the interface motion. The normal velocity of the moving interface can depend on both the local geometry, such as the curvature, and the external force such as that due to the flux from both sides of the interface of a material whose concentration is governed by a diffusion equation. The key idea of the method is to use an interface-fitted finite element mesh. Such an approximation of the interface allows an accurate calculation of the solution to the diffusion equation. The interface-fitted mesh is constructed from a base mesh, a uniform finite element mesh, at each time step to explicitly locate the interface and separate regions defined by the interface. Several new level set techniques are developed in the framework of finite element methods. These include a simple finite element method for approximating the curvature, a new method for the extension of normal velocity, and a finite element least-squares method for the reinitialization of level set functions. Application of the method to the classical solidification problem captures the dendrites. The method is also applied to the molecular solvation to determine optimal solute-solvent interfaces of solvation systems.

A computational study on the enhancement of the second harmonic generation (SHG) in one-dimensional (1D) photonic crystals is presented. The mathematical model is derived from a nonlinear system of Maxwell’s equations, which partly overcomes the shortcoming of some existing models based on the undepleted pump approximation. We designed an iterative scheme coupled with the finite element method which can be applied to simulate the SHG in one dimensional nonlinear photonic band gap structures in our previous work. For the case that the nonlinearity is strong which is desirable to enhance the conversion efficiency, a continuation method is introduced to ensure the convergence of the iterative procedure. The convergence of our method is fast. Numerical experiments also indicate the conversion efficiency of SHG can be significantly enhanced when the frequencies of the fundamental and the second harmonic wave are tuned at the photonic band edges. The maximum total conversion efficiency available reaches more than 50% in all the cases studied.

We propose a multigrid method to solve the molecular mechanics model (molecular dynamics at zero temperature). The Cauchy-Born elasticity model is employed as the coarse grid operator and the elastically deformed state as the initial guess of the molecular mechanics model. The efficiency of the algorithm is demonstrated by three examples with homogeneous deformation, namely, one dimensional chain under tensile deformation and aluminum under tension and shear deformations. The method exhibits linear-scaling computational complexity, and is insensitive to parameters arising from iterative solvers. In addition, we study two examples with inhomogeneous deformation: vacancy and nanoindentation of aluminum. The results are still satisfactory while the linear-scaling property is lost for the latter example.

In low speed flow computations, compressible finite-volume solvers are known to a) fail to converge in acceptable time and b) reach unphysical solutions. These problems are known to be cured by A) preconditioning on the time-derivative term, and B) control of numerical dissipation, respectively. There have been several methods of A) and B) proposed separately. However, it is unclear which combination is the most accurate, robust, and efficient for low speed flows. We carried out a comparative study of several well-known or recently-developed low-dissipation Euler fluxes coupled with a preconditioned LU-SGS (Lower-Upper Symmetric Gauss-Seidel) implicit time integration scheme to compute steady flows. Through a series of numerical experiments, accurate, efficient, and robust methods are suggested for low speed flow computations.

When gas flows through corrugated pipes, pressure waves interacting with vortex shedding can produce distinct tonal noise and structural vibration. Based on established observations, a model is proposed which couples an acoustic pipe and self-excited oscillations with vortex shedding over the corrugation cavities. In the model, the acoustic response of the corrugated pipe is simulated by connecting the lossless medium moving with a constant velocity with a source based on a discrete distribution of van der Pol oscillators arranged along the pipe. Our time accurate solutions exhibit dynamic behavior consistent with that experimentally observed, including the lock-in frequency of vortex shedding, standing waves and the onset fluid velocity capable of generating the lock-in.

In this work we consider a general notion of distributional sensitivity, which measures the variation in solutions of a given physical/mathematical system with respect to the variation of probability distribution of the inputs. This is distinctively different from the classical sensitivity analysis, which studies the changes of solutions with respect to the values of the inputs. The general idea is measurement of sensitivity of outputs with respect to probability distributions, which is a well-studied concept in related disciplines. We adapt these ideas to present a quantitative framework in the context of uncertainty quantification for measuring such a kind of sensitivity and a set of efficient algorithms to approximate the distributional sensitivity numerically. A remarkable feature of the algorithms is that they do not incur additional computational effort in addition to a one-time stochastic solver. Therefore, an accurate stochastic computation with respect to a prior input distribution is needed only once, and the ensuing distributional sensitivity computation for different input distributions is a post-processing step. We prove that an accurate numericalmodel leads to accurate calculations of this sensitivity, which applies not just to slowly-converging Monte-Carlo estimates, but also to exponentially convergent spectral approximations. We provide computational examples to demonstrate the ease of applicability and verify the convergence claims.

In this paper we propose a development of the finite difference method, called the tailored finite point method, for solving steady magnetohydrodynamic (MHD) duct flow problems with a high Hartmann number. When the Hartmann number is large, the MHD duct flow is convection-dominated and thus its solution may exhibit localized phenomena such as the boundary layer. Most conventional numerical methods can not efficiently solve the layer problem because they are lacking in either stability or accuracy. However, the proposed tailored finite point method is capable of resolving high gradients near the layer regions without refining the mesh. Firstly, we devise the tailored finite point method for the scalar inhomogeneous convection-diffusion problem, and then extend it to the MHD duct flow which consists of a coupled system of convection-diffusion equations. For each interior grid point of a given rectangular mesh, we construct a finite-point difference operator at that point with some nearby grid points, where the coefficients of the difference operator are tailored to some particular properties of the problem. Numerical examples are provided to show the high performance of the proposed method.

The finite volume wave propagation method and the finite element Runge-Kutta discontinuous Galerkin (RKDG) method are studied for applications to balance laws describing plasma fluids. The plasma fluid equations explored are dispersive and not dissipative. The physical dispersion introduced through the source terms leads to the wide variety of plasma waves. The dispersive nature of the plasma fluid equations explored separates the work in this paper from previous publications. The linearized Euler equations with dispersive source terms are used as a model equation system to compare the wave propagation and RKDG methods. The numerical methods are then studied for applications of the full two-fluid plasma equations. The two-fluid equations describe the self-consistent evolution of electron and ion fluids in the presence of electromagnetic fields. It is found that the wave propagation method, when run at a CFL number of 1, is more accurate for equation systems that do not have disparate characteristic speeds. However, if the oscillation frequency is large compared to the frequency of information propagation, source splitting in the wave propagation method may cause phase errors. The Runge-Kutta discontinuous Galerkin method providesmore accurate results for problems near steady-state aswell as problems with disparate characteristic speeds when using higher spatial orders.

A moment method with closures based on Gaussian quadrature formulas is proposed to solve the Boltzmann kinetic equation with a hard-sphere collision kernel for mono-dispersed particles. Different orders of accuracy in terms of the moments of the velocity distribution function are considered, accounting for moments up to seventh order. Quadrature-based closures for four different models for inelastic collision-the Bhatnagar-Gross-Krook, ES-BGK, the Maxwell model for hard-sphere collisions, and the full Boltzmann hard-sphere collision integral-are derived and compared. The approach is validated studying a dilute non-isothermal granular flow of inelastic particles between two stationary Maxwellian walls. Results obtained from the kinetic models are compared with the predictions of molecular dynamics (MD) simulations of a nearly equivalent system with finite-size particles. The influence of the number of quadrature nodes used to approximate the velocity distribution function on the accuracy of the predictions is assessed. Results for constitutive quantities such as the stress tensor and the heat flux are provided, and show the capability of the quadrature-based approach to predict them in agreement with the MD simulations under dilute conditions.