On the Projections of Multivalued Maps

This paper considers analogues of the Helmholtz projections of the set of selections of a piecewise smooth multivalued map , n2. It is shown that, for mn–1 (m=1), the closure of the projection of on the subspace of gradient fields (solenoidal vector fields) is a convex set. For the general case, there are given point-wise conditions on the values of the map which ensure that the closure of the projection of contains the zero element. Possible applications to optimal control problems are discussed.     

A numerical scheme based on mean value solutions for the helmholtz equation on triangular grids

A numerical treatment for the Dirichlet boundary value problem on regular triangular grids for homogeneous Helmholtz equations is presented, which also applies to the convection-diffusion problems. The main characteristic of the method is that an accuracy estimate is provided in analytical form with a better evaluation than that obtained with the usual finite difference method. Besides, this classical method can be seen as a truncated series approximation to the proposed method. The method is developed from the analytical solutions for the Dirichlet problem on a ball together with an error evaluation of an integral on the corresponding circle, yielding accuracy. Some numerical examples are discussed and the results are compared with other methods, with a consistent advantage to the solution obtained here.

     

求解二维多区域声波散射问题的边界元方法

对于多散射区域的声波散射问题的外Neumann边值问题,用单层位势来逼近每个散射域上的散射波,再利用位势理论的跳跃关系将问题转换为第二类边界积分方程组的求解问题,然后用Nystrom方法进行了求解.对多个随机散射区域的声波散射问题,数值例子体现了该求解方法的可行性和准确性.     

Finite element method to fluid–solid interaction problems with unbounded periodic interfaces

Consider a time‐harmonic acoustic plane wave incident onto a doubly periodic (biperiodic) surface from above. The medium above the surface is supposed to be filled with a homogeneous compressible inviscid fluid of constant mass density, whereas the region below is occupied by an isotropic and linearly elastic solid body characterized by its Lamé constants. This article is concerned with a variational approach to the fluid–solid interaction problems with unbounded biperiodic Lipschitz interfaces between the domains of the acoustic and elastic waves. The existence of quasiperiodic solutions in Sobolev spaces is established at arbitrary frequency of incidence, while uniqueness is proved only for small frequencies or for all frequencies excluding a discrete set. A finite element scheme coupled with Dirichlet‐to‐Neumann mappings is proposed and the convergence analysis is performed. The Dirichlet‐to‐Neumann mappings are approximated by truncated Rayleigh series expansions. Finally, numerical tests in 2D are presented to confirm the convergence of solutions and the energy balance formula. In particular, the frequency spectrum of normally reflected signals is plotted for water–brass and water–brass–water interfaces. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 32: 5–35, 2016     

Analysis of a finite PML approximation for the three dimensional time-harmonic Maxwell and acoustic scattering problems

We consider the approximation of the frequency domain three-dimensional Maxwell scattering problem using a truncated domain perfectly matched layer (PML). We also treat the time-harmonic PML approximation to the acoustic scattering problem. Following work of Lassas and Somersalo in 1998, a transitional layer based on spherical geometry is defined, which results in a constant coefficient problem outside the transition. A truncated (computational) domain is then defined, which covers the transition region. The truncated domain need only have a minimally smooth outer boundary (e.g., Lipschitz continuous). We consider the truncated PML problem which results when a perfectly conducting boundary condition is imposed on the outer boundary of the truncated domain. The existence and uniqueness of solutions to the truncated PML problem will be shown provided that the truncated domain is sufficiently large, e.g., contains a sphere of radius . We also show exponential (in the parameter ) convergence of the truncated PML solution to the solution of the original scattering problem inside the transition layer.

Our results are important in that they are the first to show that the truncated PML problem can be posed on a domain with nonsmooth outer boundary. This allows the use of approximation based on polygonal meshes. In addition, even though the transition coefficients depend on spherical geometry, they can be made arbitrarily smooth and hence the resulting problems are amenable to numerical quadrature. Approximation schemes based on our analysis are the focus of future research.

     

Non-reflecting boundary conditions for waveguides

New non-reflecting boundary conditions are introduced for the solution of the Helmholtz equation in a waveguide. These boundary conditions are perfectly transparent for all propagating modes. They do not require the determination of these propagating modes but only their propagation constants. A quasi-local form of these boundary conditions is well suited as terminating boundary condition beyond finite element meshes. Related convergence properties to the exact solution and optimal error estimates are established.

     

Effect of ligand volume correction on PMF scoring

Recently, a knowledge‐based scoring function has been introduced that estimates the protein‐binding affinity based on the 3D structure of a protein–ligand complex (J Med Chem 1999, 42, 791). A ligand volume correction factor has been proposed and applied to filter out intraligand interactions in this simplified potential approach. Here we evaluate the effect of the ligand volume correction on the predictive power of the PMF scoring function. It is found that the effect of the ligand volume correction is significant on the derived potentials and large on the overall score. However, the effect of the ligand correction on the predictive power of the scoring function appears to be smaller. For a test set containing serine proteases the predictive power of the PMF scoring function does not change with the introduction of the volume correction. For a test set of metalloprotease complexes, the predictive power of the PMF scoring function improves only slightly when the volume correction is applied. For five test sets comprising a total of 225 diverse protein ligand complexes taken from the Brookhaven Protein Data Bank it is found, however, that the introduction of the ligand volume correction consistently improves the correlation between the PMF scores and the measured binding affinities. The effect of the correction factor on docking/scoring experiments is also analyzed using a test set of 61 biphenyl inhibitor‐stromelysin complexes. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 418–425, 2001     

Predicting the wind noise from the pantograph cover of a train

Finite element and boundary element calculations are combined to predict the flow noise radiated from a 1/10th-scale model of an aerodynamic cover used around the pantograph on a train at 250 km h⁻¹. The solutions of the unsteady air flow over the cover and the resulting sound propagation are divided into two parts in order to keep the problem tractable. First the unsteady fluid flow is solved using large-eddy simulation (LES). The pressure histories on the cover are then used to predict the radiated sound, using a boundary element method to solve the Helmholtz equation. The result thus leans heavily on assumptions about the coupling of the two solutions, the propagation of sound in a disturbed medium and the efficacy of LES. The predicted sound pressure levels are compared with experimental measurements made in an anechoic wind tunnel. © 1997 John Wiley & Sons, Ltd.