In the present work adaptation in meshless framework is proposed. The grid adaptation or mesh adaptation is quite well developed area in case of conventional grid based solvers and is popularly known as Adaptive mesh refinement (AMR). In such cases the adaptation is done by subdividing the cells or elements into finer cells or elements. In case of meshless methods there are no cells or elements but only a cloud of points. In this work we propose to achieve the meshless adaptation by locally refining the point density in the regions demanding higher resolution. This results into an adaptive enriched cloud of points. We call this method as Adaptive Cloud Refinement (ACR). The meshless solvers need connectivity information, which is a set of neighboring nodes. It is crucial part of meshless solvers. Obviously because of refining point density, the connectivity of nodes in such regions gets modified and hence has to be updated. An efficient connectivity update must exploit the fact that the node distribution would be largely unaffected except the region of adaptation. Hence connectivity updating needs to be done locally, only in these regions. In this paper we also present an extremely fast algorithm to update connectivity over adapted cloud called as ACU (Automatic Connectivity Update).

A two-dimensional numerical scheme for the compressible Euler equations is presented and applied here to the simulation of exemplary compressible vortical flows. The proposed approach allows to perform computations on unstructured moving grids with adaptation, which is required to capture complex features of the flow-field. Grid adaptation is driven by suitable error indicators based on the Mach number and by element-quality constraints as well. At the new time level, the computational grid is obtained by a suitable combination of grid smoothing, edge-swapping, grid refinement and de-refinement. The grid modifications—including topology modification due to edge-swapping or the insertion/deletion of a new grid node—are interpreted at the flow solver level as continuous (in time) deformations of suitably-defined node-centered finite volumes. The solution over the new grid is obtained without explicitly resorting to interpolation techniques, since the definition of suitable interface velocities allows one to determine the new solution by simple integration of the Arbitrary Lagrangian-Eulerian formulation of the flow equations. Numerical simulations of the steady oblique-shock problem, of the steady transonic flow and of the start-up unsteady flow around the NACA 0012 airfoil are presented to assess the scheme capabilities to describe these flows accurately.

We present a high-order discontinuous Galerkin (DG) method for the time domain Maxwell's equations in three-dimensional heterogeneous media. New hierarchical orthonormal basis functions on unstructured tetrahedral meshes are used for spatial discretization while Runge-Kutta methods for time discretization. A uniaxial perfectly matched layer (UPML) is employed to terminate the computational domain. Exponential convergence with respect to the order of the basis functions is observed and large parallel speedup is obtained for a plane-wave scattering model. The rapid decay of the out-going wave in the UPML is shown in a dipole radiation simulation. Moreover, the low frequency electromagnetic fields excited by a horizontal electric dipole (HED) and a vertical magnetic dipole (VMD) over a layered conductive half-space and a high frequency ground penetrating radar (GPR) detection for an underground structure are investigated, showing the high accuracy and broadband simulation capability of the proposed method.

In this work we discuss the numerical discretization of the time-dependent Maxwell's equations using a fully explicit leap-frog type discontinuous Galerkin method. We present a sufficient condition for the stability and error estimates, for cases of typical boundary conditions, either perfect electric, perfect magnetic or first order Silver-Müller. The bounds of the stability region point out the influence of not only the mesh size but also the dependence on the choice of the numerical flux and the degree of the polynomials used in the construction of the finite element space, making possible to balance accuracy and computational efficiency. In the model we consider heterogeneous anisotropic permittivity tensors which arise naturally in many applications of interest. Numerical results supporting the analysis are provided.

In this article, we consider a domain consisting of two cavities linked by a hole of small size. We derive a numerical method to compute an approximation of the eigenvalues of an elliptic operator without refining in the neighborhood of the hole. Several convergence rates are obtained and illustrated by numerical simulations.

In this paper, we propose a novel and simple technique to construct effective difference schemes for solving systems of singularly perturbed convection-diffusion-reaction equations, whose solutions may display boundary or interior layers. We illustrate the technique by taking the Il'in-Allen-Southwell scheme for 1-D scalar equations as a basis to derive a formally second-order scheme for 1-D coupled systems and then extend the scheme to 2-D case by employing an alternating direction approach. Numerical examples are given to demonstrate the high performance of the obtained scheme on uniform meshes as well as piecewise-uniform Shishkin meshes.

In the first of a series of papers, we will study a discontinuous Galerkin (DG) framework for many electron quantum systems. The salient feature of this framework is the flexibility of using hybrid physics-based local orbitals and accuracy-guaranteed piecewise polynomial basis in representing the Hamiltonian of the many body system. Such a flexibility is made possible by using the discontinuous Galerkin method to approximate the Hamiltonian matrix elements with proper constructions of numerical DG fluxes at the finite element interfaces. In this paper, we will apply the DG method to the density matrix minimization formulation, a popular approach in the density functional theory of many body Schrödinger equations. The density matrix minimization is to find the minima of the total energy, expressed as a functional of the density matrix ρ(r,r′), approximated by the proposed enriched basis, together with two constraints of idempotency and electric neutrality. The idempotency will be handled with the McWeeny’s purification while the neutrality is enforced by imposing the number of electrons with a penalty method. A conjugate gradient method (a Polak-Ribiere variant) is used to solve the minimization problem. Finally, the linear-scaling algorithm and the advantage of using the local orbital enriched finite element basis in the DG approximations are verified by studying examples of one dimensional lattice model systems.

We study pseudo-arclength continuation methods for both Rydberg-dressed Bose-Einstein condensates (BEC), and binary Rydberg-dressed BEC which are governed by the Gross-Pitaevskii equations (GPEs). A divide-and-conquer technique is proposed for rescaling the range/ranges of nonlocal nonlinear term/terms, which gives enough information for choosing a proper stepsize. This guarantees that the solution curve we wish to trace can be precisely approximated. In addition, the ground state solution would successfully evolve from one peak to vortices when the affect of the rotating term is imposed. Moreover, parameter variables with different number of components are exploited in curve-tracing. The proposed methods have the advantage of tracing the ground state solution curve once to compute the contours for various values of the coefficients of the nonlocal nonlinear term/terms. Our numerical results are consistent with those published in the literatures.

We propose and analyse finite volume Godunov type methods based on discontinuous flux for a 2×2 system of non-linear partial differential equations proposed by Hadeler and Kuttler to model the dynamics of growing sandpiles generated by a vertical source on a flat bounded rectangular table. The problem considered here is the so-called partially open table problem where sand is blocked by a wall (of infinite height) on some part of the boundary of the table. The novelty here is the corresponding modification of boundary conditions for the standing and the rolling layers and generalization of the techniques of the well-balancedness proposed in [1]. Presence of walls may lead to unbounded or discontinuous surface flow density at equilibrium resulting in solutions with singularities propagating from the extreme points of the walls. A scheme has been proposed to approximate efficiently the Hamiltonians with the coefficients which can be unbounded and discontinuous. Numerical experiments are presented to illustrate that the proposed schemes detect these singularities in the equilibrium solutions efficiently and comparisons are made with the previously studied finite difference and Semi-Lagrangian approaches by Finzi Vita et al.

A new representation of spatio-temporal random processes is proposed in this work. In practical applications, such processes are used to model velocity fields, temperature distributions, response of vibrating systems, to name a few. Finding an efficient representation for any random process leads to encapsulation of information which makes it more convenient for a practical implementations, for instance, in a computational mechanics problem. For a single-parameter process such as spatial or temporal process, the eigenvalue decomposition of the covariance matrix leads to the well-known Karhunen-Loève (KL) decomposition. However, for multiparameter processes such as a spatio-temporal process, the covariance function itself can be defined in multiple ways. Here the process is assumed to be measured at a finite set of spatial locations and a finite number of time instants. Then the spatial covariance matrix at different time instants are considered to define the covariance of the process. This set of square, symmetric, positive semi-definite matrices is then represented as a third-order tensor. A suitable decomposition of this tensor can identify the dominant components of the process, and these components are then used to define a closed-form representation of the process. The procedure is analogous to the KL decomposition for a single-parameter process, however, the decompositions and interpretations vary significantly. The tensor decompositions are successfully applied on (i) a heat conduction problem, (ii) a vibration problem, and (iii) a covariance function taken from the literature that was fitted to model a measured wind velocity data. It is observed that the proposed representation provides an efficient approximation to some processes. Furthermore, a comparison with KL decomposition showed that the proposed method is computationally cheaper than the KL, both in terms of computer memory and execution time.

This article presents a novel monolithic numerical method for computing flow-induced stresses for problems involving arbitrarily-shaped stationary boundaries. A unified momentum equation for a continuum consisting of both fluids and solids is derived in terms of velocity by hybridizing the momentum equations of incompressible fluids and linear elastic solids. Discontinuities at the interface are smeared over a finite thickness around the interface using the signed distance function, and the resulting momentum equation implicitly takes care of the interfacial conditions without using a body-fitted grid. A finite volume approach is employed to discretize the obtained governing equations on a Cartesian grid. For validation purposes, this method has been applied to three examples, lid-driven cavity flow in a square cavity, lid-driven cavity flow in a circular cavity, and flow over a cylinder, where velocity and stress fields are simultaneously obtained for both fluids and structures. The simulation results agree well with the results found in the literature and the results obtained by COMSOL Multiphysics®.

It is well known that grid discontinuities have significant impact on the performance of finite difference schemes (FDSs). The geometric conservation law (GCL) is very important for FDSs on reducing numerical oscillations and ensuring free-stream preservation in curvilinear coordinate system. It is not quite clear how GCL works in finite difference method and how GCL errors affect spatial discretization errors especially in nonsmooth grids. In this paper, a method is developed to analyze the impact of grid discontinuities on the GCL errors and spatial discretization errors. A violation of GCL cause GCL errors which depend on grid smoothness, grid metrics method and finite difference operators. As a result there are more source terms in spatial discretization errors. The analysis shows that the spatial discretization accuracy on non-sufficiently smooth grids is determined by the discontinuity order of grids and can approach one higher order by following GCL. For sufficiently smooth grids, the spatial discretization accuracy is determined by the order of FDSs and FDSs satisfying the GCL can obtain smaller spatial discretization errors. Numerical tests have been done by the second-order and fourth-order FDSs to verify the theoretical results.

We present a moving-least-square immersed boundary method for solving viscous incompressible flow involving deformable and rigid boundaries on a uniform Cartesian grid. For rigid boundaries, noslip conditions at the rigid interfaces are enforced using the immersed-boundary direct-forcing method. We propose a reconstruction approach that utilizes moving least squares (MLS) method to reconstruct the velocity at the forcing points in the vicinity of the rigid boundaries. For deformable boundaries, MLS method is employed to construct the interpolation and distribution operators for the immersed boundary points in the vicinity of the rigid boundaries instead of using discrete delta functions. The MLS approach allows us to avoid distributing the Lagrangian forces into the solid domains as well as to avoid using the velocity of points inside the solid domains to compute the velocity of the deformable boundaries. The present numerical technique has been validated by several examples including a Poiseuille flow in a tube, deformations of elastic capsules in shear flow and dynamics of red-blood cell in microfluidic devices.

In this paper, we study high order discretization methods for solving the Maxwell equations on hybrid triangle-quad meshes. We have developed high order finite edge element methods coupled with different high order time schemes and we compare results and efficiency for several schemes. We introduce in particular a class of simple high order low dissipation time schemes based on a modified Taylor expansion.

In this paper, we revisit the Nested Stochastic Simulation Algorithm (NSSA) for stochastic chemical reacting networks by first proving its strong convergence. We then study a speed up of the algorithm by using the explicit Tau-Leaping method as the Inner solver to approximate invariant measures of fast processes, for which strong error estimates can also be obtained. Numerical experiments are presented to demonstrate the validity of our analysis.

The low temperature properties of double exchange model in triangular lattice are investigated via truncated polynomial expansion method (TPEM), which reduces the computational complexity and enables parallel computation. We found that for the half-filling case a stable 120° spin configuration phase occurs owing to the frustration of triangular lattice and is further stabilized by antiferromagnetic (AF) su-perexchange interaction, while a transition between a stable ferromagnetic (FM) phase and a unique flux phase with small finite-size effect is induced by AF superexchange interaction for the quarter-filling case.

Because of stability constraints, most numerical schemes applied to hyperbolic systems of equations turn out to be costly when the flux term is multiplied by some very large scalar. This problem emerges with the M1 system of equations in the field of radiotherapy when considering heterogeneous media with very disparate densities. Additionally, the flux term of the M1 system is non-linear, and in order for the model to be well-posed the numerical solution needs to fulfill conditions called realizability. In this paper, we propose a numerical method that overcomes the stability constraint and preserves the realizability property. For this purpose, we relax the M1 system to obtain a linear flux term. Then we extend the stencil of the difference quotient to obtain stability. The scheme is applied to a radiotherapy dose calculation example.

In order to solve the partial differential equations that arise in the Hartree- Fock theory for diatomicmolecules and inmolecular theories that include electron correlation, one needs efficient methods for solving partial differential equations. In this article, we present numerical results for a two-variablemodel problem of the kind that arises when one solves the Hartree-Fock equations for a diatomic molecule. We compare results obtained using the spline collocation and domain decomposition methods with third-order Hermite splines to results obtained using the more-established finite difference approximation and the successive over-relaxation method. The theory of domain decomposition presented earlier is extended to treat regions that are divided into an arbitrary number of subregions by families of lines parallel to the two coordinate axes. While the domain decomposition method and the finite difference approach both yield results at the micro-Hartree level, the finite difference approach with a 9- point difference formula produces the same level of accuracy with fewer points. The domain decompositionmethod has the strength that it can be applied to problemswith a large number of grid points. The time required to solve a partial differential equation for a fine grid with a large number of points goes down as the number of partitions increases. The reason for this is that the length of time necessary for solving a set of linear equations in each subregion is very much dependent upon the number of equations. Even though a finer partition of the region has more subregions, the time for solving the set of linear equations in each subregion is very much smaller. This feature of the theory may well prove to be a decisive factor for solving the two-electron pair equation, which – for a diatomic molecule – involves solving partial differential equations with five independent variables. The domain decomposition theory also makes it possible to study complex molecules by dividing them into smaller fragments that are calculated independently. Since the domain decomposition approachmakes it possible to decompose the variable space into separate regions in which the equations are solved independently, this approach is well-suited to parallel computing.

Numerical solutions of a non-Fickian diffusion equation belonging to a hyperbolic type are presented in one space dimension. The Brownian particle modelled by this diffusion equation is subjected to a symmetric periodic potential whose spatial shape can be varied by a single parameter. We consider a numerical method which consists of applying Laplace transform in time; we then obtain an elliptic diffusion equation which is discretized using a finite difference method. We analyze some aspects of the convergence of the method. Numerical results for particle density, flux and mean-square-displacement (covering both inertial and diffusive regimes) are presented.

Amid the recent interest in the role of membrane viscosity in the deformation of a fluid-filled capsule, we consider the role of various capsule properties (shear elasticity, membrane bending stiffness and viscosity) in determining the response and recovery times of a spherical capsule in shear flow. These times are determined by fitting exponential functions to results for the Taylor deformation parameter Dxy. We focus on the relationship between the membrane and fluid viscosity ratios, as suggested by Diaz et al, and whether adjustments to the fluid viscosity ratio may be used to approximate the effects of membrane viscosity. Based on its ability to reproduce response and recovery times, our results suggest that such an approach holds promise.