The numerical solution of an inverse scattering problem for acoustic waves

In a previous paper, the authors presented a dual space methodfor the numerical solution of the two-dimensional inverse scatteringproblem for acoustic waves in an inhomogeneous medium. Here,by making major modifications to the dual space method, a dramaticimprovement in the numerical performance of this method is achievedfor solving the inverse scattering problem.     

Structural and thermodynamic properties of a multicomponent freely jointed hard sphere multi-Yukawa chain fluid

The product-reactant Ornstein-Zernike approach, represented by the polymer mean-spherical approximation (PMSA), is utilized to describe the structure and thermodynamic properties of the fluid of Yukawa hard sphere chain molecules. An analytical solution of the PMSA for the most general case of the multicomponent freely jointed hard sphere multi-Yukawa chain fluid is presented. As in the case of the regular MSA for the hard sphere Yukawa fluid, the problem is reduced to the solution of a set of nonlinear algebraic equations in the general case, and to a single equation in the case of the factorizable Yukawa potential coefficients. Closed form analytical expressions are presented for the contact values of the monomer-monomer radial distribution function, structure factors, internal energy, Helmholtz free energy, chemical potentials and pressure in terms of the quantities, which follows directly from the PMSA solution. By way of illustration, several different versions of the hard sphere Yukawa chain model are considered, represented by one-Yukawa chains of length m, where m = 2, 4, 8, 16. To validate the accuracy of the present theory, Monte Carlo simulations were carried out and the results are compared systematically with the theoretical results for the structure and thermodynamic properties of the system at hand. In general it is found that the theory performs very well, thus providing an analytical route to the equilibrium properties of a well defined model for chain fluids.     

Measurement of the Raman polarizability anisotropy for the v = 1 pure rotational Raman transition in H 2 by rotational Raman spectroscopy

A combination of stimulated Raman pumping and rotational Raman spectroscopy is used to accomplish the first measurement of the polarizability anisotropy γ_11,13 (355 nm) for the S₁₁ (1) transition in molecular hydrogen H₂. Saturation of the Q₀₁(1) transition connecting the |X¹ Σ⁺ _g, v = 0, J = 1 > state to the |X¹ Σ⁺ _g, v = 1, J = 1 > state in H₂ by stimulated Raman pumping is the critical element in this experiment. The observed intensities of the rotational Raman lines for these states allow an estimate of γ_11,13 (355 nm) as 0.358 ± 0.004 ų. A comparison of this value to that obtained from fundamental ab initio calculations in H₂ also is possible for the first time.     

Balanced Truncation Model Reduction of Large-Scale Dense Systems on Parallel Computers

Model reduction is an area of fundamental importance in many modeling and control applications. In this paper we analyze the use of parallel computing in model reduction methods based on balanced truncation of large-scale dense systems. The methods require the computation of the Gramians of a linear-time invariant system. Using a sign function-based solver for computing full-rank factors of the Gramians yields some favorable computational aspects in the subsequent computation of the reduced-order model, particularly for non-minimal systems. As sign function-based computations only require efficient implementations of basic linear algebra operations readily available, e.g., in the BLAS, LAPACK, and ScaLAPACK, good performance of the resulting algorithms on parallel computers is to be expected. Our experimental results on a PC cluster show the performance and scalability of the parallel implementation.     

MARINE PROTECTED AREAS IN THE HIGH SEAS AND THEIR IMPACT ON INTERNATIONAL FISHING AGREEMENTS

Abstract Marine protected areas (MPAs) are gaining momentum as tools within fisheries management. Although many studies have been conducted to their use and potential, only few authors have considered their use in the High Seas. In this paper, we investigate the effects of fish growth enhancing MPAs on the formation of regional fisheries management organisations (RFMOs) for highly migratory fish stocks. We argue that in absence of enforcement MPAs constitute a weakest‐link public good, which can only be realized if everyone agrees. We combine this notion with a game theoretic model of RFMO formation to derive potentially stable RFMOs with and without MPAs. We find that MPAs generally increase the parameter range over which RFMOs are stable, and that they increase stability in a number of cases as compared to the case without MPAs. They do not necessarily induce a fully cooperative solution among all fishing nations. In summary, results of this paper suggest a positive role for MPAs in the High Seas.     

Ab initio calculations for propyne and the hydrogen bonded complex NH H C C CH 3 3

The hydrogen-bonded cluster NH₃ …H—C≡C—CH₃ has been investigated by means of the coupled electron pair approximation, making use of a basis set of 198 contracted Gaussian-type orbitals. The calculated equilibrium structure is r _1^e (N—H) = 1?0127 Å, α_e(∠HN…H) = 112?32°, R _1^e (N…H) = 2?3593 Å, r _2^e (acetylenic C—H) = 1?0690 Å, R _2^e (C≡C) = 1?2078 Å, R _3^e (C—C) = 1?4711 Å, r _3^e (C—H) = 1?0894 Å and β_e(∠CCH) = 110?50°. The recommended equilibrium dissociation energy is D _e = 12?4±0?5 kJ mol^-1 and the calculated equilibrium dipole moment is μ_e = – 1?468 D, with the positive end of the dipole at the ammonia protons. Harmonic wavenumbers and absolute infrared intensities for the totally symmetric modes are calculated. Compared with free propyne the acetylenic CH stretching vibration experiences a bathochromic shift of 93 cm^-1 and an intensity enhancement by a factor of 5?5.     

On the symmetric boundary element method and the symmetric coupling of boundary elements and finite elements

The finite element method and the boundary element method areamong the most frequently applied tools in the numerical treatmentof partial differential equations. However, their propertiesappear to be complementary: while the boundary element methodis appropriate for the most important linear partial differentialequations with constant coefficients in bounded or unboundeddomains, the finite element method seems to be more appropriatefor inhomogeneous or even nonlinear problems. but is somehowrestricted to bounded domains. The symmetric coupling of thetwo methods inherits the advantages of both methods. This paper treats the symmetric coupling of finite elementsand boundary elements for a model transmission problem in twoand three dimensions where we have two domains: a bounded domainwith nonlinear, even plastic material behaviour, is surroundedby an unbounded, exterior, domain with isotropic homogeneouslinear elastic material. Practically. the coupling is performedsuch that the boundary element method contributes a macro-element,like a large finite element, within a standard finite elementanalysis program. Emphasis is on two-dimensional problems wherethe approach using the Poincaré-Steklov operator seemsto be impossible at first glance. E-mail: cc{at}numerik.uni-kiel.de     

A LOCAL MESH REFINEMENT ALGORITHM APPLIED TO TURBULENT FLOW

This paper presents a local mesh refinement procedure based on a discretization over internal interfaces where the averaging is performed on the coarse side. It is implemented in a multigrid environment but can optionally be used without it. The discretization for the convective terms in the velocity and the temperature equation is the QUICK scheme, while the HYBRID-UPWIND scheme is used in the turbulence equations. The turbulence model used is a two-layer k–ϵ model. We have applied this formulation on a backward-facing step at Re=800 and on a three-dimensional turbulent ventilated enclosure, where we have resolved a geometrically complex inlet consisting of 84 nozzles. In both cases the concept of local mesh refinements was found to be an efficient and accurate solution strategy. © 1997 by John Wiley & Sons, Ltd.