We provide some computable error estimates in solving a nonsymmetric eigenvalue problem by general conforming finite element methods on general meshes. Based on the complementary method, we first give computable error estimates for both the original eigenfunctions and the corresponding adjoint eigenfunctions, and then we introduce a generalised Rayleigh quotient to deduce a computable error estimate for the eigenvalue approximations. Some numerical examples are presented to illustrate our theoretical results.

A multigrid method is proposed to compute the ground state solution of Bose-Einstein condensations by the finite element method based on the multilevel correction for eigenvalue problems and the multigrid method for linear boundary value problems. In this scheme, obtaining the optimal approximation for the ground state solution of Bose-Einstein condensates includes a sequence of solutions of the linear boundary value problems by the multigrid method on the multilevel meshes and some solutions of nonlinear eigenvalue problems some very low dimensional finite element space. The total computational work of this scheme can reach almost the same optimal order as solving the corresponding linear boundary value problem. Therefore, this type of multigrid scheme can improve the overall efficiency for the simulation of Bose-Einstein condensations. Some numerical experiments are provided to validate the efficiency of the proposed method.

The linear operator plays an important role in the computational process of Homotopy Analysis Method (HAM). In HAM frame any kind of linear operator can be chosen to develop a solution. Hence, it is easy to introduce the modified/physical parameter dependent linear operators. The effective use of these operators has been judged through solving fluid flow problems. Modification in linear operators affects the solution and improves the computational efficiency of HAM for larger values of parameters. The convergence rate of the solution is rapid and several times higher resulting in lesser computational time.

In this paper, a multilevel correction scheme is proposed to solve the Steklov eigenvalue problem by nonconforming finite element methods. With this new scheme, the accuracy of eigenpair approximations can be improved after each correction step which only needs to solve a source problem on finer finite element space and an Steklov eigenvalue problem on the coarsest finite element space. This correction scheme can increase the overall efficiency of solving eigenvalue problems by the nonconforming finite element method. Furthermore, as same as the direct eigenvalue solving by nonconforming finite element methods, this multilevel correction method can also produce the lower-bound approximations of the eigenvalues.

This paper introduces a unified concept and algorithm for the fractional-step (FS), artificial compressibility (AC) and pressure-projection (PP) methods for solving the incompressible Navier-Stokes equations. The proposed FSAC-PP approach falls into the group of pseudo-time splitting high-resolution methods incorporating the characteristics-based (CB) Godunov-type treatment of convective terms with PP methods. Due to the fact that the CB Godunov-type methods are applicable directly to the hyperbolic AC formulation and not to the elliptical FS-PP (split) methods, thus the straightforward coupling of CB Godunov-type schemes with PP methods is not possible. Therefore, the proposed FSAC-PP approach unifies the fully-explicit AC and semi-implicit FS-PP methods of Chorin including a PP step in the dual-time stepping procedure to a) overcome the numerical stiffness of the classical AC approach at (very) low and moderate Reynolds numbers, b) incorporate the accuracy and convergence properties of CB Godunov-type schemes with PP methods, and c) further improve the stability and efficiency of the AC method for steady and unsteady flow problems. The FSAC-PPmethod has also been coupled with a non-linear, full-multigrid and fullapproximation storage (FMG-FAS) technique to further increase the efficiency of the solution. For validating the proposed FSAC-PP method, computational examples are presented for benchmark problems. The overall results show that the unified FSAC-PP approach is an efficient algorithm for solving incompressible flow problems.

The bubble packing method can generate high-quality node sets in simple and complex domains. However, its efficiency remains to be improved. This study is a part of an ongoing effort to introduce several acceleration schemes to reduce the cost of simulation. Firstly, allow the viscosity coefficient c in the bubble governing equations to change according the coordinate of the bubble which are defined separately as odd and normal bubbles, and meanwhile with the saw-shape relationship with time or iterations. Then, in order to relieve the over crowded initial bubble placement, two coefficients w1 and w2 are introduced to modify the insertion criterion. The range of those two coefficients are discussed to be w1 = 1, w2 ∈ [0.5,0.8]. Finally, a self-adaptive termination condition is logically set when the stable system equilibrium is achieved. Numerical examples illustrate that the computing cost can significantly decrease by roughly 80% via adopting various combination of proper schemes (except the uniform placement example), and the average qualities of corresponding Delaunay triangulation substantially exceed 0.9. It shows that those strategies are efficient and can generate a node set with high quality.

An artificial boundary condition method, derived in terms of infinite Fourier series, is applied to solve a class of quasi-Newtonian Stokes flows. Based on the natural boundary reduction involving an artificial condition on the artificial boundary, the coupled variational problem and its numerical solution are obtained. The unique solvability of the continuous and discrete formulations are discussed, and the error analysis for the problem is also considered. Finally, an a posteriori error estimate for the corresponding problem is provided.

We introduce a new multigrid method to study the lattice statics model arising from nanoindentation. A constrained Cauchy-Born elasticity model is used as the coarse-grid operator. This method accelerates the relaxation process and considerably reduces the computational cost. In particular, it saves quite a bit when dislocations nucleate and move, as demonstrated by the simulation results.

The paper is devoted to the development of an efficient deterministic framework for modelling of three-dimensional rarefied gas flows on the basis of the numerical solution of the Boltzmann kinetic equation with the model collision integrals. The framework consists of a high-order accurate implicit advection scheme on arbitrary unstructured meshes, the conservative procedure for the calculation of the model collision integral and efficient implementation on parallel machines. The main application area of the suggested methods is micro-scale flows. Performance of the proposed approach is demonstrated on a rarefied gas flow through the finite-length circular pipe. The results show good accuracy of the proposed algorithm across all flow regimes and its high efficiency and excellent parallel scalability for up to 512 cores.

We present Path Integral Monte Carlo C code for calculation of quantum mechanical transition amplitudes for 1D models. The SPEEDUP C code is based on the use of higher-order short-time effective actions and implemented to the maximal order p=18 in the time of propagation (Monte Carlo time step), which substantially improves the convergence of discretized amplitudes to their exact continuum values. Symbolic derivation of higher-order effective actions is implemented in SPEEDUP Mathematica codes, using the recursive Schrödinger equation approach. In addition to the general 1D quantum theory, developed Mathematica codes are capable of calculating effective actions for specific models, for general 2D and 3D potentials, as well as for a general many-body theory in arbitrary number of spatial dimensions.

Numerical methods of a 3D multiphysics, two-phase transport model of proton exchange membrane fuel cell (PEMFC) is studied in this paper. Due to the coexistence of multiphase regions, the standard finite element/finite volume method may fail to obtain a convergent nonlinear iteration for a two-phase transport model of PEMFC [49,50]. By introducing Kirchhoff transformation technique and a combined finite element-upwind finite volume approach, we efficiently achieve a fast convergence and reasonable solutions for this multiphase, multiphysics PEMFC model. Numerical implementation is done by using a novel automated finite element/finite volume program generator (FEPG). By virtue of a high-level algorithm description language (script), component programming and human intelligence technologies, FEPG can quickly generate finite element/finite volume source code for PEMFC simulation. Thus, one can focus on the efficient algorithm research without being distracted by the tedious computer programming on finite element/finite volume methods. Numerical success confirms that FEPG is an efficient tool for both algorithm research and software development of a 3D, multiphysics PEMFC model with multicomponent and multiphase mechanism.

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.

A homogeneous Gaussian Markov lattice-process model has a regression coefficient that determines the extent to which a random variable of a vertex is dependent on those of the neighbors. In many studies, the absolute value of this parameter has been assumed to be less than the reciprocal of the number of neighbors. This condition is shown to be necessary and sufficient for the existence of the Gaussian process satisfying the model equations under some assumptions on lattices using the notion of dual processes. We also give examples of models that neither satisfy the condition imposed on the region for the parameter nor the assumptions on lattices. A formula for autocovariance functions of Gaussian Markov processes on general lattices is derived, and numerical procedures to calculate the autocovariance functions are proposed.