In this paper, we develop and study numerical methods for the two-mode shallow water equations recently proposed in [S. STECHMANN, A. MAJDA, and B. KHOUIDER, Theor. Comput. Fluid Dynamics, 22 (2008), pp. 407-432]. Designing a reliable numerical method for this system is a challenging task due to its conditional hyperbolicity and the presence of nonconservative terms. We present several numerical approaches—two operator splitting methods (based on either Roe-type upwind or central-upwind scheme), a central-upwind scheme and a path-conservative central-upwind scheme—and test their performance in a number of numerical experiments. The obtained results demonstrate that a careful numerical treatment of nonconservative terms is crucial for designing a robust and highly accurate numerical method.

We introduce a lattice-free hard sphere exclusion stochastic process. The resulting stochastic rates are distance based instead of cell based. The corresponding Markov chain build for this many particle system is updated using an adaptation of the kinetic Monte Carlo method. It becomes quickly apparent that due to the lattice-free environment, and because of that alone, the dynamics behave differently than those in the lattice-based environment. This difference becomes increasingly larger with respect to particle densities/temperatures. The well-known packing problem and its solution (Palasti conjecture) seem to validate the resulting lattice-free dynamics.

Simulation of elastic wave propagation has important applications in many areas such as inverse problem and geophysical exploration. In this paper, stability conditions for wave simulation in 3-D anisotropic media with the pseudospectral method are investigated. They can be expressed explicitly by elasticity constants which are easy to be applied in computations. The 3-D wave simulation for two typical anisotropic media, transversely isotropic media and orthorhombic media, are carried out. The results demonstrate some satisfactory behaviors of the pseudospectral method.

A diesel particulate filter (DPF) is a key technology to meet future emission standards of particulate matters (PM), mainly soot. It is generally consists of a wall-flow type filter positioned in the exhaust stream of a diesel vehicle. It is difficult to simulate the thermal flow in DPF, because we need to consider the soot deposition and combustion in the complex geometry of filter wall. In our previous study, we proposed an approach for the conjugate simulation of gas-solid flow. That is, the gas phase was simulated by the lattice Boltzmann method (LBM), coupled with the equation of heat conduction inside the solid filter substrate. However, its numerical procedure was slightly complex. In this study, to reduce numerical costs, we have tested a new boundary condition with chemical equilibrium in soot combustion at the surface of filter substrate. Based on the soot oxidation rate with catalysts evaluated in experiments, the lattice Boltzmann simulation of soot combustion in the catalyzed DPF is firstly presented to consider the process in the after-treatment of diesel exhaust gas. The heat and mass transfer is shown to discuss the effect of catalysts.

Novel dimensional splitting techniques are developed for ETD Schemes which are second-order convergent and highly efficient. By using the ETD-Crank-Nicolson scheme we show that the proposed techniques can reduce the computational time for nonlinear reaction-diffusion systems by up to 70%. Numerical tests are performed to empirically validate the superior performance of the splitting methods.

The paper presents a novel family of arbitrary high order multioperators approximations for convection, convection-diffusion or the fluid dynamics equations. As particular cases, the 16th- and 32th-order skew-symmetric multioperators for derivatives supplied by the 15th- and 31th-order dissipation multioperators are described. Their spectral properties and the comparative efficiency of the related schemes in the case of smooth solutions are outlined. The ability of the constructed conservative schemes to deal with discontinuous solutions is investigated. Several types of nonlinear hybrid schemes are suggested and tested against benchmark problems.

This paper is devoted to the numerical approximation of a degenerate anisotropic elliptic problem. The numerical method is designed for arbitrary space-dependent anisotropy directions and does not require any specially adapted coordinate system. It is also designed to be equally accurate in the strongly and the mildly anisotropic cases. The method is applied to the Euler-Lorentz system, in the drift-fluid limit. This system provides a model for magnetized plasmas.

Volume-preserving algorithms (VPAs) for the charged particles dynamics is preferred because of their long-term accuracy and conservativeness for phase space volume. Lie algebra and the Baker-Campbell-Hausdorff (BCH) formula can be used as a fundamental theoretical tool to construct VPAs. Using the Lie algebra structure of vector fields, we split the volume-preserving vector field for charged particle dynamics into three volume-preserving parts (sub-algebras), and find the corresponding Lie subgroups. Proper combinations of these subgroups generate volume preserving, second order approximations of the original solution group, and thus second order VPAs. The developed VPAs also show their significant effectiveness in conserving phase-space volume exactly and bounding energy error over long-term simulations.

In this paper we consider a discontinuous Galerkin discretization of the ideal magnetohydrodynamics (MHD) equations on unstructured meshes, and the divergence free constraint (∇·B=0) of its magnetic field B. We first present two approaches for maintaining the divergence free constraint, namely the approach of a locally divergence free projection inspired by locally divergence free elements [19], and another approach of the divergence cleaning technique given by Dedner et al. [15]. By combining these two approaches we obtain a efficient method at the almost same numerical cost. Finally, numerical experiments are performed to show the capacity and efficiency of the scheme.

The interaction force between likely charged particles/surfaces is usually repulsive due to the Coulomb interaction. However, the counterintuitive like-charge attraction in electrolytes has been frequently observed in experiments, which has been theoretically debated for a long time. It is widely known that the mean field Poisson-Boltzmann theory cannot explain and predict this anomalous feature since it ignores many-body properties. In this paper, we develop efficient algorithm and perform the force calculation between two interfaces using a set of self-consistent equations which properly takes into account the electrostatic correlation and the dielectric-boundary effects. By solving the equations and calculating the pressure with the Debye-charging process, we show that the self-consistent equations could be used to study the attraction between like-charge surfaces from weak-coupling to mediate-coupling regimes, and that the attraction is due to the electrostatics-driven entropic force which is significantly enhanced by the dielectric depletion of mobile ions. A systematic investigation shows that the interaction forces can be tuned by material permittivity, ionic size and valence, and salt concentration, and that the like-charge attraction exists only for specific regime of these parameters.

We construct a well-conditioned hierarchical basis for triangular H(curl)-conforming elements with selected orthogonality. The basis functions are grouped into edge and interior functions, and the later is further grouped into normal and bubble functions. In our construction, the trace of the edge shape functions are orthonormal on the associated edge. The interior normal functions, which are perpendicular to an edge, and the bubble functions are both orthonormal among themselves over the reference element. The construction is made possible with classic orthogonal polynomials, viz., Legendre and Jacobi polynomials. For both the mass matrix and the quasi-stiffness matrix, better conditioning of the new basis is shown by a comparison with the basis previously proposed by Ainsworth and Coyle [Comput. Methods. Appl. Mech. Engrg., 190 (2001), 6709-6733].

We investigate the critical nuclei morphology in phase transformation by combining two effective ingredients, with the first being the phase field modeling of the relevant energetics which has been a popular approach for phase transitions and the second being shrinking dimer dynamics and its variants for computing saddle points and transition states. In particular, the newly formulated generalized shrinking dimer dynamics is proposed by adopting the Cahn-Hilliard dynamics for the generalized gradient system. As illustrations, a couple of typical cases are considered, including a generic system modeling heterogeneous nucleation and a specific material system modeling the precipitate nucleation in FeCr alloys. While the standard shrinking dimer dynamics can be applied to study the non-conserved case of generic heterogeneous nucleation directly, the generalized shrinking dimer dynamics is efficient to compute precipitate nucleation in FeCr alloys due to the conservation of concentration. Numerical simulations are provided to demonstrate both the complex morphology associated with nucleation events and the effectiveness of generalized shrinking dimer dynamics based on phase field models.

We use front tracking data structures and functions to model the dynamic evolution of fabric surface. We represent the fabric surface by a triangulated mesh with preset equilibrium side length. The stretching and wrinkling of the surface are modeled by the mass-spring system. The external driving force is added to the fabric motion through the “Impulse method” which computes the velocity of the point mass by superposition of momentum. The mass-spring system is a nonlinear ODE system. Added by the numerical and computational analysis, we show that the spring system has an upper bound of the eigen frequency. We analyzed the system by considering two spring models and we proved in one case that all eigenvalues are imaginary and there exists an upper bound for the eigen-frequency This upper bound plays an important role in determining the numerical stability and accuracy of the ODE system. Based on this analysis, we analyzed the numerical accuracy and stability of the nonlinear spring mass system for fabric surface and its tangential and normal motion. We used the fourth order Runge-Kutta method to solve the ODE system and showed that the time step is linearly dependent on the mesh size for the system.

In this paper, we propose a space-time rescaling scheme for computing the long time evolution of multiple precipitates in an elastically stressed medium. The algorithm is second order accurate in time, spectrally accurate in space and enables one to simulate the evolution of precipitates in a fraction of the time normally used by fixed-frame algorithms. In particular, we extend the algorithm recently developed for single particle by Li et al. (Li, Lowengrub and Leo, J. Comput. Phys., 335 (2007), 554) to the multiple particle case, which involves key differences in the method. Our results show that without elasticity there are successive tip splitting phenomena accompanied by the formation of narrow channels between the precipitates. In presence of applied elastic field, the precipitates form dendrite-like structures with the primary arms aligned in the principal directions of the elastic field. We demonstrate that when the far-field flux decreases with the effective radius of the system, tip-splitting and dendrite formation can be suppressed, as in the one particle case. Depending on the initial position of the precipitates, we further observe that some precipitates grow while others may shrink, even when a positive far field flux is applied.

The governing equations for heat transfer and fluid flow are often formulated in a general form for the simplification of discretization and programming, which has achieved great success in thermal science and engineering. Based on the analysis of the popular general form of governing equations, we found that energy conservation cannot be guaranteed when specific heat capacity is not constant, which may lead to unreliable results. A new concept of generalized density is put forward, based on which a new general form of governing equations is proposed to guarantee energy conservation. A number of calculation examples have been employed to verify validation and feasibility.

How to effectively simulate the interaction between fluid and solid elements of different sizes remains to be challenging. The discrete element method (DEM) has been used to deal with the interactions between solid elements of various shapes and sizes, while the material point method (MPM) has been developed to handle the multiphase (solid-liquid-gas) interactions involving failure evolution. A combined MPM-DEM procedure is proposed to take advantage of both methods so that the interaction between solid elements and fluid particles in a container could be better simulated. In the proposed procedure, large solid elements are discretized by the DEM, while the fluid motion is computed using the MPM. The contact forces between solid elements and rigid walls are calculated using the DEM. The interaction between solid elements and fluid particles are calculated via an interfacial scheme within the MPM framework. With a focus on the boundary condition effect, the proposed procedure is illustrated by representative examples, which demonstrates its potential for a certain type of engineering problems.

We perform a comparison in terms of accuracy and CPU time between second order BDF semi-Lagrangian and Lagrange-Galerkin schemes in combination with high order finite element method. The numerical results show that for polynomials of degree 2 semi-Lagrangian schemes are faster than Lagrange-Galerkin schemes for the same number of degrees of freedom, however, for the same level of accuracy both methods are about the same in terms of CPU time. For polynomials of degree larger than 2, Lagrange-Galerkin schemes behave better than semi-Lagrangian schemes in terms of both accuracy and CPU time; specially, for polynomials of degree 8 or larger. Also, we have performed tests on the parallelization of these schemes and the speedup obtained is quasi-optimal even with more than 100 processors.

This study aims to develop a numerical scheme in collocated Cartesian grids to solve the level set equation together with the incompressible two-phase flow equations. A seventh-order accurate upwinding combined compact difference (UCCD7) scheme has been developed for the approximation of the first-order spatial derivative terms shown in the level set equation. Developed scheme has a higher accuracy with a three-point grid stencil to minimize phase error. To preserve the mass of each phase all the time, the temporal derivative term in the level set equation is approximated by the sixth-order accurate symplectic Runge-Kutta (SRK6) scheme. All the simulated results for the dam-break, Rayleigh-Taylor instability, bubble rising, two-bubble merging, and milkcrown problems in two and three dimensions agree well with the available numerical or experimental results.

A front tracking method combined with the real ghost fluid method (RGFM) is proposed for simulations of fluid interfaces in two-dimensional compressible flows. In this paper the Riemann problem is constructed along the normal direction of interface and the corresponding Riemann solutions are used to track fluid interfaces. The interface boundary conditions are defined by the RGFM, and the fluid interfaces are explicitly tracked by several connected marker points. The Riemann solutions are also used directly to update the flow states on both sides of the interface in the RGFM. In order to validate the accuracy and capacity of the new method, extensive numerical tests including the bubble advection, the Sod tube, the shock-bubble interaction, the Richtmyer-Meshkov instability and the gas-water interface, are simulated by using the Euler equations. The computational results are also compared with earlier computational studies and it shows good agreements including the compressible gas-water system with large density differences.

Incorrect propagation speed of discontinuities may occur by straightforward application of standard dissipative schemes for problems that contain stiff source terms for underresolved grids even for time steps within the CFL condition. By examining the dissipative discretized counterpart of the Euler equations for a detonation problem that consists of a single reaction, detailed analysis on the spurious wave pattern is presented employing the fractional step method, which utilizes the Strang splitting. With the help of physical arguments, a threshold values method (TVM), which can be extended to more complicated stiff problems, is developed to eliminate the wrong shock speed phenomena. Several single reaction detonations as well as multispecies and multi-reaction detonation test cases with strong stiffness are examined to illustrate the performance of the TVM approach.