Collocation has become a standard tool for approximation of parameterized systems in the uncertainty quantification (UQ) community. Techniques for least-squares regularization, compressive sampling recovery, and interpolatory reconstruction are becoming standard tools used in a variety of applications. Selection of a collocation mesh is frequently a challenge, but methods that construct geometrically unstructured collocation meshes have shown great potential due to attractive theoretical properties and direct, simple generation and implementation. We investigate properties of these meshes, presenting stability and accuracy results that can be used as guides for generating stochastic collocation grids in multiple dimensions.

We introduce efficient approaches to construct high order finite difference discretizations for solving partial differential equations, based on a composite grid hierarchy. We introduce a modification of the traditional point clustering algorithm, obtained by adding restrictive parameters that control the minimal patch length and the size of the buffer zone. As a result, a reduction in the number of interfacial cells is observed. Based on a reasonable geometric grid setting, we discuss a general approach for the construction of stencils in a composite grid environment. The straightforward approach leads to an ill-posed problem. In our approach we regularize this problem, and transform it into solving a symmetric system of linear of equations. Finally, a stencil repository has been designed to further reduce computational overhead. The effectiveness of the discretizations is illustrated by numerical experiments on second order elliptic differential equations.

With the aim of solving in a four dimensional phase space a multi-scale Vlasov-Poisson system, we propose in a Particle-In-Cell framework a robust time-stepping method that works uniformly when the small parameter vanishes. As an exponential integrator, the scheme is able to use large time steps with respect to the typical size of the solution’s fast oscillations. In addition, we show numerically that the method has accurate long time behaviour and that it is asymptotic preserving with respect to the limiting Guiding Center system.

The accuracy of moment equations as approximations of kinetic gas theory is studied for four different boundary value problems. The kinetic setting is given by the BGK equation linearized around a globally constant Maxwellian using one space dimension and a three-dimensional velocity space. The boundary value problems include Couette and Poiseuille flow as well as heat conduction between walls and heat conduction based on a locally varying heating source. The polynomial expansion of the distribution function allows for different moment theories of which two popular families are investigated in detail. Furthermore, optimal approximations for a given number of variables are studied empirically. The paper focuses on approximations with relatively low number of variables which allows to draw conclusions in particular about specific moment theories like the regularized 13-moment equations.

We discuss the development, verification, and performance of a GPU accelerated discontinuous Galerkin method for the solutions of two dimensional nonlinear shallow water equations. The shallow water equations are hyperbolic partial differential equations and are widely used in the simulation of tsunami wave propagations. Our algorithms are tailored to take advantage of the single instruction multiple data (SIMD) architecture of graphic processing units. The time integration is accelerated by local time stepping based on a multi-rate Adams-Bashforthscheme. A total variational bounded limiter is adopted for nonlinear stability of the numerical scheme. This limiter is coupled with a mass and momentum conserving positivity preserving limiter for the special treatment of a dry or partially wet element in the triangulation. Accuracy, robustness and performance are demonstrated with the aid of test cases. Furthermore, we developed a unified multi-threading model OCCA. The kernels expressed in OCCA model can be cross-compiled with multi-threading models OpenCL, CUDA, and OpenMP. We compare the performance of the OCCA kernels when cross-compiled with these models.

(Aims) Acupuncture was employed since 2 millenaries, but the underlying mechanisms are not globally handled. The present study is aimed at proposing an explanation by pointing out involved processes and a convincing modeling to demonstrate its efficiency when carried out by trained practitioners.

(Method) In the absence of global knowledge of any mechanism explaining the acupuncture process, a biological model is first developed, based on stimulation in a given domain around the needle tip of a proper mastocyte population by a mechanical stress, electrical, electromagnetic, or heat field. Whatever the type of mechanical or physical stimuli, mastocytes degranulate. Released messengers either facilitate the transfer of main mediators, or target their cognate receptors of local nerve terminals or after being conveyed by blood their receptors on cerebral cells. Signaling to the brain is fast by nervous impulses and delayed by circulating messengers that nevertheless distribute preferentially in the brain region of interest due to hyperemia. The process is self-sustained due to mastocyte chemotaxis from the nearby dense microcirculatory circuit and surrounding mastocyte pools, which are inadequate for acupuncture, but serve as a signal relay. A simple mathematical model is solved analytically. Numerical simulations are also carried out using the finite element method with mesh adaptivity.

(Results) The analytical solution of the simple mathematical model demonstrates the conditions filled by a mastocyte population to operate efficiently. A theorem gives the blow-up condition. This analytical solution serves for validation of numerical experiments. Numerical simulations show that when the needle is positioned in the periphery of the acupoint or outside it, the response is too weak. This explains why a long training is necessary as the needle implantation requires a precision with a magnitude of the order of 1mm.

(Conclusion) The acupoint must contain a highly concentrated population of mastocytes (e.g., very-high–amplitude, small-width Gaussian distribution) to get an initial proper response. Permanent signaling is provided by chemotaxis and continuous recruitment of mastocytes. Therefore, the density and distribution of mastocytes are crucial factors for efficient acupuncture as well as availability of circulating and neighboring pools of mastocytes.

In this paper, we are concerned with the constrained finite element method based on domain decomposition satisfying the discrete maximum principle for diffusion problems with discontinuous coefficients on distorted meshes. The basic idea of domain decomposition methods is used to deal with the discontinuous coefficients. To get the information on the interface, we generalize the traditional Neumann-Neumann method to the discontinuous diffusion tensors case. Then, the constrained finite element method is used in each subdomain. Comparing with the method of using the constrained finite element method on the global domain, the numerical experiments show that not only the convergence order is improved, but also the nonlinear iteration time is reduced remarkably in our method.

There exist many spatial discretization schemes that are well able to provide accurate and stable approximations for isothermal turbulent flows. Comparatively little analysis has been made of the performance of these schemes in the presence of temperature gradients driven by combustion. In this paper, the effects of temperature gradients on numerical stability are explored. A surprising result is that temperature gradients in the flow have a tendency to impinge on left half plane (LHP) stability of the spatial discretization scheme. Reasons for this tendency are explored and two remedies are proposed: one based on the particular class of finite difference schemes, and one based on an alternative method of boundary condition specification.

Electromagnetic wave propagation in complex dispersive media is governed by the time dependent Maxwell's equations coupled to equations that describe the evolution of the induced macroscopic polarization. We consider “polydispersive” materials represented by distributions of dielectric parameters in a polarization model. The work focuses on a novel computational framework for such problems involving Polynomial Chaos Expansions as a method to improve the modeling accuracy of the Debye model and allow for easy simulation using the Finite Difference Time Domain (FDTD) method. Stability and dispersion analyzes are performed for the approach utilizing the second order Yee scheme in two spatial dimensions.

Extreme events play a crucial role in fluid turbulence. Inspired by methods from field theory, these extreme events, their evolution and probability can be computed with help of the instanton formalism as minimizers of a suitable action functional. Due to the high number of degrees of freedom in multi-dimensional fluid flows, traditional global minimization techniques quickly become prohibitive in their memory requirements. We outline a novel method for finding the minimizing trajectory in a wide class of problems that typically occurs in turbulence setups, where the underlying dynamical system is a non-gradient, non-linear partial differential equation, and the forcing is restricted to a limited length scale. We demonstrate the efficiency of the algorithm in terms of performance and memory by computing high resolution instanton field configurations corresponding to viscous shocks for 1D and 2D compressible flows.

A weak Galerkin discretization of the boundary value problem of a general anisotropic diffusion problem is studied for preservation of the maximum principle. It is shown that the direct application of the M-matrix theory to the stiffness matrix of the weak Galerkin discretization leads to a strong mesh condition requiring all of the mesh dihedral angles to be strictly acute (a constant-order away from 90 degrees). To avoid this difficulty, a reduced system is considered and shown to satisfy the discrete maximum principle under weaker mesh conditions. The discrete maximum principle is then established for the full weak Galerkin approximation using the relations between the degrees of freedom located on elements and edges. Sufficient mesh conditions for both piecewise constant and general anisotropic diffusion matrices are obtained. These conditions provide a guideline for practical mesh generation for preservation of the maximum principle. Numerical examples are presented.

In this paper, we numerically study the ground and first excited states of the fractional Schrödinger equation in an infinite potential well. Due to the nonlocality of the fractional Laplacian, it is challenging to find the eigenvalues and eigenfunctions of the fractional Schrödinger equation analytically. We first introduce a normalized fractional gradient flow and then discretize it by a quadrature rule method in space and the semi-implicit Euler method in time. Our numerical results suggest that the eigenfunctions of the fractional Schrödinger equation in an infinite potential well differ from those of the standard (non-fractional) Schrödinger equation. We find that the strong nonlocal interactions represented by the fractional Laplacian can lead to a large scattering of particles inside of the potential well. Compared to the ground states, the scattering of particles in the first excited states is larger. Furthermore, boundary layers emerge in the ground states and additionally inner layers exist in the first excited states of the fractional nonlinear Schrödinger equation. Our simulated eigenvalues are consistent with the lower and upper bound estimates in the literature.

In this paper, we study the effects of inserted needle on the subcutaneous interstitial flow. A goal is to describe the physical stress affecting cells during acupuncture treatment. The model consists of the convective Brinkman equations to describe the flow through a fibrous medium. Numerical studies in FreeFem++ are performed to illustrate the acute physical stress developed by the implantation of a needle that triggers the physiological reactions of acupuncture. We emphasize the importance of numerical experiments for advancing in modeling in acupuncture.

The high order inverse Lax-Wendroff (ILW) procedure is extended to boundary treatment involving complex geometries on a Cartesian mesh. Our method ensures that the numerical resolution at the vicinity of the boundary and the inner domain keeps the fifth order accuracy for the system of the reactive Euler equations with the two-step reaction model. Shock wave propagation in a tube with an array of rectangular grooves is first numerically simulated by combining a fifth order weighted essentially non-oscillatory (WENO) scheme and the ILW boundary treatment. Compared with the experimental results, the ILW treatment accurately captures the evolution of shock wave during the interactions of the shock waves with the complex obstacles. Excellent agreement between our numerical results and the experimental ones further demonstrates the reliability and accuracy of the ILW treatment. Compared with the immersed boundary method (IBM), it is clear that the influence on pressure peaks in the reflected zone is obviously bigger than that in the diffracted zone. Furthermore, we also simulate the propagation process of detonation wave in a tube with three different widths of wall-mounted rectangular obstacles located on the lower wall. It is shown that the shock pressure along a horizontal line near the rectangular obstacles gradually decreases, and the detonation cellular size become large and irregular with the decrease of the obstacle width.

Applicability of Feynman path integral approach to numerical simulations of quantum dynamics of an electron in real time domain is examined. Coherent quantum dynamics is demonstrated with one dimensional test cases (quantum dot models) and performance of the Trotter kernel as compared with the exact kernels is tested. Also, a novel approach for finding the ground state and other stationary sates is presented. This is based on the incoherent propagation in real time. For both approaches the Monte Carlo grid and sampling are tested and compared with regular grids and sampling. We asses the numerical prerequisites for all of the above.

A three-dimensional (3D) lattice Boltzmann flux solver (LBFS) is presented in this paper for the simulation of both isothermal and thermal flows. The present solver combines the advantages of conventional Navier-Stokes (N-S) solvers and lattice Boltzmann equation (LBE) solvers. It applies the finite volume method (FVM) to solve the N-S equations. Different from the conventional N-S solvers, its viscous and inviscid fluxes at the cell interface are evaluated simultaneously by local reconstruction of LBE solution. As compared to the conventional LBE solvers, which apply the lattice Boltzmann method (LBM) globally in the whole computational domain, it only applies LBM locally at each cell interface, and flow variables at cell centers are given from the solution of N-S equations. Since LBM is only applied locally in the 3D LBFS, the drawbacks of the conventional LBM, such as limitation to uniform mesh, tie-up of mesh spacing and time step, tedious implementation of boundary conditions, are completely removed. The accuracy, efficiency and stability of the proposed solver are examined in detail by simulating plane Poiseuille flow, lid-driven cavity flow and natural convection. Numerical results show that the LBFS has a second order of accuracy in space. The efficiency of the LBFS is lower than LBM on the same grids. However, the LBFS needs very less non-uniform grids to get grid-independence results and its efficiency can be greatly improved and even much higher than LBM. In addition, the LBFS is more stable and robust.

Acupuncture has been in clinical practice in China for thousands of years and its analgesia effect is worldwide accepted. However, the mechanism of acupuncture effect is not well understood. The study focus on signaling pathways induced by acupuncture, analyzes the cooperative action of the acupoints’ structure and the associated chemical mediators during acupuncture, establishes a mathematical model clarifying the roadmap of electroneurographic signal startup and transmission mechanism induced by acupuncture, quantitatively analyzing the response in acupoints to acupuncture. These work contribute to reveal the activation and transmission mechanism of neural signals induced by acupuncture from systems biology perspective, lay the foundation for the integration of acupuncture theory and modern science and further guide the clinical treatment and experimental research of acupuncture.

A new Particle Vortex Method, called Diffused Vortex Hydrodynamics (DVH), is presented in this paper. The DVH is a meshless method characterized by the use of a regular distribution of points close to a solid surface to perform the vorticity diffusion process in the boundary layer regions. This redistribution avoids excessive clustering or rarefaction of the vortex particles providing robustness and high accuracy to the method. The generation of the regular distribution of points is performed through a packing algorithm which is embedded in the solver. The packing algorithm collocates points regularly around body of arbitrary shape allowing an exact enforcement on the solid surfaces of the no-slip boundary condition. The present method is tested and validated on different problems of increasing complexities up to flows with Reynolds number equal to 100,000 (without using any subgrid-scale turbulence model).

Dislocations are line defects in crystalline materials. The Peierls-Nabarro models are hybrid models that incorporate atomic structure of dislocation core into continuum framework. In this paper, we present a numerical method for a generalized Peierls-Nabarro model for curved dislocations, based on the fast multipole method and the iterative grid redistribution. The fast multipole method enables the calculation of the long-range elastic interaction within operations that scale linearly with the total number of grid points. The iterative grid redistribution places more mesh nodes in the regions around the dislocations than in the rest of the domain, thus increases the accuracy and efficiency. This numerical scheme improves the available numerical methods in the literature in which the long-range elastic interactions are calculated directly from summations in the physical domains; and is more flexible to handle problems with general boundary conditions compared with the previous FFT based method which applies only under periodic boundary conditions. Numerical examples using this method on the core structures of dislocations in Al and Cu and in epitaxial thin films are presented.