Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • 1990-1994  (5,509)
  • Engineering General  (3,144)
  • Computational Chemistry and Molecular Modeling  (2,365)
  • Atomic, Molecular and Optical Physics  (1,617)
Source
Material
Years
Year
Keywords
  • 101
    Electronic Resource
    Electronic Resource
    Optimal uniform finite difference schemes of order two for stiff initial value problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 611-622 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper presents finite difference schemes of order two for stiff initial-value problems, with a small parameter ε multiplying the first derivative. The schemes are a modified form of the classical trapezoidal rule. They are both optimal and uniform with respect to the small parameter ε, that is, the solution of the difference schemes satisfies error estimates of the form \documentclass{article}\pagestyle{empty}\begin{document}$$ \left|{u\left({t_i} \right) - u_i} \right| \le C\ min \left({h^2,\varepsilon} \right) $$\end{document} Where C is independent of i, h and ε. Here h is the mesh size and ti in any mesh point. The schemes presented in this paper are different from the scheme of order two avaiable in the literature. Finally, numerical experiments are presented.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100805
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 102
    Electronic Resource
    Electronic Resource
    An alternative approach for large deflection analysis of axisymmetric plates on elastic foundation (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 623-632 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The geometric non-linear behaviour of thin axisymmetric circular plates on an elastic foundation is studied in the paper by using a boundary integral equation approach. A plate analogue procedure is suggested to simplify the solution. With such simplification, the foundation reaction can be arbitrary functions of plate deflection, rotation and curvatures. The boundary integral equation of thin plates and the fundamental solution of a biharmonic equation are employed for both bending and plane stress analysis. A number of numerical examples are given in the paper to show the effectiveness of the proposed method.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100806
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 103
    Electronic Resource
    Electronic Resource
    A time-splitting finite difference method for two-dimensional diffusion with an integral condition (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 649-660 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new fourth-order locally one-dimensional (LOD) finite difference scheme based upon the Noye-Hayman method for one-dimensional diffusion is used to solve a two-dimensional time-dependent diffusion equation with an integral condition replacing one boundary condition. Numerical testing shows this gives better results than a locally one-dimensional scheme based on the classical forward-time centred-space (FTCS) method for one-dimensional diffusion except when the diffusion number is 1/6 and the methods are identical. Results from some numerical experiments are presented.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100808
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 104
    Electronic Resource
    Electronic Resource
    Conjugate gradient based projection: A new explicit computational methodology for frictional contact problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 633-648 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: With special attention towards the applicability to parallel computation or vectorization, a new and effective explicit computational approach for linear complementary formulations involving a conjugate gradient based projection methodology is proposed in this study for contact problems with Coulomb friction. The overall objectives are focused towards providing an explicit methodology of computation for the complete contact problem with friction. In this regard, the primary idea for solving the linear complementary formulations stems from an established search direction which is projected to a feasible region determined by the non-negative constraint condition; this direction is then applied to the Fletcher-Reeves conjugate gradient method resulting in a powerful explicit methodology which possesses high accuracy, excellent convergence characteristics, fast computational speed and is relatively simple to implement for contact problems involving Coulomb friction. Numerical test cases are also included to demonstrate the proposed methodology for contact problems with friction.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100807
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 105
    Electronic Resource
    Electronic Resource
    Non-linear finite element analysis of solids and structures, volume 1: Essentials, M. A. Crisfield, John Wiley. ISBN: 0-471-92956-5 (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 667-667 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100810
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 106
    Electronic Resource
    Electronic Resource
    Announcements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 668-670 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100811
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 107
    Electronic Resource
    Electronic Resource
    On the large time behaviour of transient dynamic kernels for two-dimensional wave scattering (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 661-665 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An essential feature of the transient dynamic kernels for any time domain boundary integral equation is that they decay towards the static kernels for large time increments. The purpose of the paper is to show that the kernels of Mansur and Brebbia (1982), which are expressed in the form of generalized mathematical functions, do exhibit the correct decay property in contradiction to the claims of Israil and Banerjee (1990). Mansur and Brebbia express the fundamental solution wave discontinuity in terms of the generalized functions H(t) and δ(t), the Heaviside and Dirac delta functions, but do not explicitly demonstrate the required long time behaviour. In the 1990 paper the temporal discontinuity of the kernels is expressed by conventional functions in two time regimes and is shown to possess the correct long time behaviour, while it is claimed that the kernels in the 1982 paper do not. It is shown here that, assuming either constant or linear variation in time, usage of the generalized functions in the fundamental solution does yield the static fundamental solution for large time steps, as expected.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100809
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 108
    Electronic Resource
    Electronic Resource
    Conference diary (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 671-672 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100812
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 109
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100901
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 110
    Electronic Resource
    Electronic Resource
    Explicit expressions of shape functions for the modified 8-node serendipity element (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 711-716 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We derive explicit expressions of shape functions for the 8-node serendipity element with bilinear element geometry, which is modified so that it can represent any quadratic fields in Cartesian co-ordinates. The modification is similar to the one by MacNeal and Harder, but is slightly different and based on our own idea. We also show that the usual 6-node triangular element can be obtained by applying the node degeneration technique to this modified element.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100905
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 111
    Electronic Resource
    Electronic Resource
    Derivation of shape functions for an exact 4-D.O.F. Timoshenko beam element (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 673-681 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Timoshenko beam elements have been the subject of numerous publications. The difficulty was that of arriving at a superconvergent element with four degrees of freedom, as is the case for the Bernuli-Euler classical beam element. Two different approaches are presented here for the derivation of the shape functions. The first is based on the flexibility matrix, where utilizing the unit load method, including the term that accounts for the shear deformations in the virtual work expression, the stiffness matrix is derived. Then, a second method is presented to derive the exact shape functions, directly from the differential equations of the Timoshenko beam theory. The resulting shape functions are the same in both methods.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100902
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 112
    Electronic Resource
    Electronic Resource
    Convergence of stress maxima in finite element computations (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 683-697 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The convergence of stress maxima, computed directly from finite element solutions, is investigated with respect to a family of exact solutions characterized by varying degrees of smoothness. The performances of h- and p-extensions and the product and trunk spaces are evaluated and documented with respect to a family of benchmark problems. In uniform p-extensions a characteristic pattern in the convergence of stress maxima was observed. There does not appear to be a clear-cut advantage of the product space over the trunk space in this respect. The much faster convergence of stress maxima in the case of p-extensions, as compared with h-extensions, is evident from the results.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100903
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 113
    Electronic Resource
    Electronic Resource
    Enhanced 8-node three-dimensional solid and 4-node shell elements with incompatible generalized displacements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 699-709 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Enhanced 8-node three-dimensional solid and 4-node shell elements are proposed in the paper. Improvement of the response of the 3-D solid is achieved through additional strains corresponding to generalized displacements incompatible between elements. In the case of the 4-node shell, the membrane behaviour is improved through addition of incompatible membrane strains.Some linear and geometrically non-linear examples demonstrate significant improvements of the elements. Results are compared with solutions obtained with the standard, displacement-based elements and with results available in the literature.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100904
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 114
    Electronic Resource
    Electronic Resource
    A three-dimensional symmetric linear equation solver (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 717-730 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Factorization procedures for the efficient solution of large sparse linear finite difference systems have been introduced recently. In these procedures the large sparse symmetric coefficient matrix of a certain structure is factorized exactly, yielding a direct solution method. Furthermore, approximate factorization procedures yeild implicit preconditioning iterative methods for the finite difference solution. The numerical implementation of these algorithms is presented and Fortran subroutines for the efficient solution of the resulting sparse symmetric linear system of algebraic equations are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100906
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 115
    Electronic Resource
    Electronic Resource
    Note on finite element predictions of natural frequencies (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 731-734 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: It is well known that the finite element discretization with a distributed mass matrix gives overstimates of the natural frequencies of a system. The note shows that these do not necessarily become progressively worse as the frequency increases.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100907
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 116
    Electronic Resource
    Electronic Resource
    Semi-discretization method for the heat equation with non-local boundary conditions (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 751-758 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Semi-discretization methods with iterated corrections are considered for solving the heat equation with boundary conditions containing integrals over the interior of the interval. The given problem is transformed into an ordinary differential system of equations, when we substitute the spatial derivative by finite differences. Such a system is then solved with an implicit integrator together with a quadrature method for the boundary integrals and, for each time step, the numerical scheme - implicit integrator and quadrature method - is repeated iteratively in order to achieve a given accuracy. The extra work we need with the iterated corrections enables us to take care of the interrelation of the solution u(x, t) at the interior and at the boundary points and also to start the numerical process with rough approximations of u(0, t) and u(1, t).An improvement of the results is achieved when we estimate the local spatial truncation error and make the injection of that estimation into the ordinary differential system. Numerical experiments are presented.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100910
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 117
    Electronic Resource
    Electronic Resource
    Applying dispersion correction to numerical approximations of the two-dimensional wave equation - eigenproblems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 735-742 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A technique is presented whereby numerical calculations of vibration modes can be improved. The paper looks at the classical two-dimensional wave equation using finite difference approximations. Analysis of the numerical dispersion of the approximations is used to develop a correction method. In general the numerical dispersion is dependent upon both the frequency and the direction of a wave, but if a 9-point formula is used the directional dependence is much reduced. This enables correction factors to be obtained using only the frequency of a vibration mode. The method was tested on the vibration of a square membrane and of an L-shaped region; in both cases a marked improvement in accuracy was obtained, at very little computational cost.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100908
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 118
    Electronic Resource
    Electronic Resource
    A direct solver for the least-squares problem arising from GMRES(k) (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 743-749 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This is a study about one of the core questions in the GMRES(k) method regarding the obtaining of vector yk for the least-squares problem, argminy |Hky - β(n)e1|2 (see Saad and Schultz1). We propose a simple but efficient approach to the resolution of this problem and a low cost computation of the residual and the residual norm, including both in a complete and detailed FGMRES(k) algorithm. The whole algorithm of minimization only involves two backward substitutions with triangular matrices and a dot product. The residual and the residual norm are computed, making use of results in the least-squares problem.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100909
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 119
    Electronic Resource
    Electronic Resource
    Conference diary (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 759-760 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100911
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 120
    Electronic Resource
    Electronic Resource
    Announcements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 761-762 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640100912
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 121
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101001
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 122
    Electronic Resource
    Electronic Resource
    Reliable Delaunay-based mesh generation and mesh improvement (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 773-783 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper describes a method for generating triangulations of two-dimensional domains. Firstly, a description is given of a reliable algorithm that creates a constrained Delaunay triangulation for a multiply-connected planer domain, without performing any explicit visibility computations. Then, several techniques to improve an existing triangulation are discussed. It turned out that a new variant of mesh relaxation was most effective in improving an existing triangulation. Several examples are included to illustrate the method's overall behaviour.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101003
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 123
    Electronic Resource
    Electronic Resource
    Discretization error dominance over subgrid terms in large eddy simulation of compressible shear layers in 2D (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 785-790 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Second- and fourth-order-accurate spatial discretization methods give rise to discretization errors which are large than the corresponding subgrid terms in large eddy simulation of compressible shear layers in 2D, if the ratio between the filter width and the grid spacing is close to one. Even if an exact representation for the subgrid-scale contributions is assumed, large eddy simulation is accurate only if this ratio is sufficiently larger than one. In that regime fourth-order methods are more accurate than second-order methods. An analysis of the data obtained from two-dimensional direct numerical simulations of compressible shear layers substantiates these assertions.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101004
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 124
    Electronic Resource
    Electronic Resource
    Approximate solution of the Fokker-Planck-Kolmogorov equation by finite elements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 763-771 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper considers the solution of the Fokker-Planck-Kolmogorov equation by the finite element method (FEM). The problem is set in a variational formulation suitable for the FEM. Some theoretical aspects related to applying the method are discussed. Discretization of the problem is carried out and questions of convergence and order of the method are also addressed. A numerical example is given to verify the validity of the approach.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101002
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 125
    Electronic Resource
    Electronic Resource
    A fourth-order difference scheme for quasilinear poisson equation in polar co-ordinates (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 791-797 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We present in this paper a nine-point, fourth-order difference scheme for the numerical solution of the quasilinear Poisson equation in polar co-ordinates, \documentclass{article}\pagestyle{empty}\begin{document}$$ Au_{rr} + \frac{1}{r}u_r + \frac{1}{{r^2 }}u_{\theta \theta } = f\left({r,\theta,u,u_{r,} u_\theta} \right) $$\end{document} with appropriate boundary conditions. A separate difference scheme of order four valid at r = 0 has also been obtained. The method is based on five evaluations of the function f. The numerical results of two problems obtained using this scheme are listed. The numerical results demonstrate the fourth-order accuracy of the scheme.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101005
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 126
    Electronic Resource
    Electronic Resource
    Statistical analysis for static responses of structures with stochastic shape (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 809-814 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper presents a probabilistic boundary element method for analysis of structural responses to static loading, when the shape parameters of structures are considered as random variables. We can use this method to evaluate the mean values and standard deviations of the responses, and estimate the stochastic errors of structural character resulting from manufacturing errors.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101007
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 127
    Electronic Resource
    Electronic Resource
    Two-dimensional adaptive quadrilateral mesh generation (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 815-825 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the paper we address the problem of 2D adaptive quadrilateral mesh generation by using the variational principles. We first find the variational integral which generates the known grid system of curve-by-curve error equidistributions. We then use the same intergral to generate a new adaptive grid system which is superior to the known system in that the new system produces smoother meshes. Moreover, the new integral may be combined linearly with existing smoothness control integrals to yield more robust adaptive grid systems. Numerical results and comparisons are reported.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101008
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 128
    Electronic Resource
    Electronic Resource
    Application of direct boundary integration method to wave diffraction by submerged bodies (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 799-808 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The diffraction of waves due to the presence of submerged objects in the ocean environment is solved by a relatively novel approach involving the direct boundary integration method (DBIM). Firstly, the method is tested for the case of a submerged circular cylinder and compared with the conventional boundary element method (BEM) results. The agreement between the results using this method and the BEM is good. Further, the DBIM has been applied to the case of a submerged horizontal plate for which the horizontal and vertical force coefficients are computed and compared with a semi-analytical solution using the matched eigenfunction expansion method (EFEM). It is found that the computed results using DBIM are in good agreement with those of EFEM and BEM. Further, the DBIM is found to be computationally more efficient than the BEM for the water wave diffraction problems presented in this paper.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101006
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 129
    Electronic Resource
    Electronic Resource
    An adaptive time-stepping algorithm for quasistatic processes (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 837-844 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A scheme is presented that automatically determines the magnitude of the time step in quasistatic boundary value problems discretized via some customary method (finite elements, finite differences). The basic idea stems from the path-following techniques widely employed in purely static analyses in the sense that the incremental displacements, measured in some suitable norm, are constrained to a prefixed value. Examples of trusses composed of a viscoelastic material are included to demonstrate the effectiveness of the method.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101010
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 130
    Electronic Resource
    Electronic Resource
    Integral transform solution of eigenvalue problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 827-835 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The generalized integral transform technique is used to reduce eigenvalue problems described by partial differential equations to algebraic ones, that can be solved by existing codes for matrix eigensystem analysis. The method is illustrated for the operators that correspond to heat and mass diffusion, but can be employed in different fields. Three examples demonstrate the potential of the method.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101009
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 131
    Electronic Resource
    Electronic Resource
    Conference diary (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 857-858 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101012
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 132
    Electronic Resource
    Electronic Resource
    Announcements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 859-860 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101013
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 133
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101101
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 134
    Electronic Resource
    Electronic Resource
    Finite element solution of steady natural convection equations by a false diffusion method (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 845-856 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Use of upwind finite element methods was so far confined to forced convection problems. The present work is devoted to the application of false diffusion techniques to phenomena involving natural convection. A range of Rayleigh numbers in which the discretization by the conventional Galerkin scheme fails is considered. A false diffusion method similar to the Streamline upwind technique has been employed to avoid cross-wind diffusion. The upwind parameter is changed continually until a true solution is obtained. The present scheme provides convenient means for obtaining gradually improved guesses from which a more accurate solution can be obtained using the conventional Galerkin method. The criterion for the determination of a true solution is established, and hot-wall Nusselt number values are documented in tabular form.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101011
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 135
    Electronic Resource
    Electronic Resource
    A note on the treatment of frictionless contact between non-smooth surfaces in fully non-linear problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 869-878 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An approach is presented for the formulation of the unilateral contact constraint in the presence of contact surface discontinuities. Such discontinuities may be due to physical corners on the surfaces of contacting bodies, or may be introduced by a discretization process (e.g. finite elements). It is asserted that a strong analogy exists between this problem and the one describing inelastic evolution in the presence of a discontinuous yield surface. This analogy is exploited to produce an effective treatment of the frictionless corner problem, complete with an effective augmented Lagrangian implementation for accurate constraint enforcement.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101103
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 136
    Electronic Resource
    Electronic Resource
    Incompressibility and axisymmetry: A modified B method (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 861-867 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper deals with a B-type strain projection method with specific reference to axisymmetric incompressible solids. Essentially the \documentclass{article}\pagestyle{empty}\begin{document}$ \overline{\overline {\rm{B}}} $\end{document} (B double bar) method, which is reported in the present study, is based on Hughes' B-bar approach utilizing modified shape functions to represent the radial displacement and geometry. As a consequence of adopting these procedures the \documentclass{article}\pagestyle{empty}\begin{document}$ \overline{\overline {\rm{B}}} $\end{document} method results in an exact satisfaction of incompressibility constraints. The rationale of the \documentclass{article}\pagestyle{empty}\begin{document}$ \overline{\overline {\rm{B}}} $\end{document} method leads to the modified mean-dilatation approach for the case of an axisymmetric incompressible problem. It is interesting to note in the present work that the explicit influence of enhanced hoop strain is eliminated from the discrete divergence condition.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101102
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 137
    Electronic Resource
    Electronic Resource
    Finite-deformation interface formulation for frictionless contact problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 879-893 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An interface finite element for non-linear analysis of frictionless contact problems is presented. A constitutive equation relates stresses in the interface layer to the deformation gradient with respect to an imaginary reference configuration where the layer thickness is constant and finite. The equation of equilibrium is written in the same configuration, while the boundary conditions involve stresses related to an actual reference configuration used in the formulation for the contacting bodies. Finite element discretization is introduced for the layer in order to calculate the unknown field of displacements. Computational examples demonstrate properties of the contact element and its range of applicability in the analysis of large deformation contact problems including relative sliding of curved surfaces.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101104
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 138
    Electronic Resource
    Electronic Resource
    A BEM formulation of new boundary stress components (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 895-906 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper presents boundary integral equation to two-dimensional elasticity with the stress component σijtitj as one of the boundary values, where ti are direction cosines of the tangent on the boundary. This form of BEM has an advantage in that the stress component σijtitj on the boundary can be calculated directly from the numerical solution. The present formulation for planar problems uses two kernels, one of which is logarithmic singular and the other is 1/r singular. The effectiveness of the approach is also discussed through some test examples.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101105
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 139
    Electronic Resource
    Electronic Resource
    Numerical solution to a stochastic interception problem (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 907-911 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite difference scheme is derived to solve for the probability density that a moving point, whose velocity is continually pertubed by Gaussian white noise, reaches a given target within a given time period. The numerical scheme is applied to the problem of finding the probability that two moving spheres collide.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101106
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 140
    Electronic Resource
    Electronic Resource
    Higher-order numerical methods for third-order non-linear boundary value problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 943-948 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A sixth-order and a ninth-order method are developed for the numerical solution of special non-linear third-order boundary value problems y‴ = ø(x,y), a〈 x 〈 b, y(a) = A1, y″(a) = B2 and y(b) = A2. The method arise from a four-point recurrence relation. Convergence analysis of the sixth-order method is discussed. The methods are tested on a problem. Modification to these methods are obtained for problems with boundary conditions of the form y(a) = A1, y'(a) = B1 and y(b) = A2.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101110
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 141
    Electronic Resource
    Electronic Resource
    Numerical viscosities of difference schemes (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 927-931 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Numerical viscosities of finite-difference schemes are usually obtained from truncation-error analyses based on Taylor series expansions. Here we observe that numerical viscosities can also be obtained very simply and directly from the growth factor ξ in a conventional Fourier stability analysis. A general formula is derived for the numerical viscosity in terms of the first and second derivatives of ξ with respect to the wavenumber k, evaluated at k = 0. A single Fourier analysis therefore suffices to determine both stability limits and numerical viscosities.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101108
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 142
    Electronic Resource
    Electronic Resource
    A new algorithm for finding a pseudoperipheral vertex or the endpoints of a pseudodiameter in a graph (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 913-926 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Based on the concept of the Laplacian matrix of a graph, this paper presents the SGPD (spectral graph pseudoperipheral and pseudodiameter) algorithm for finding a pseudoperipheral vertex or the end-points of a pseudodiameter in a graph. This algorithm is compared with the ones by Grimes et al. (1990), George and Liu (1979), and Gibbs et al. (1976). Numerical results from a collection of benchmark test problems show the effectiveness of the proposed algorithm. Moreover, it is shown that this algorithm can be efficiently used in conjunction with heuristic algorithms for ordering sparse matrix equations. Such heuristic algorithms, of course, must be the ones which use the pseudoperipheral vertex or pseudodiameter concepts.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101107
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 143
    Electronic Resource
    Electronic Resource
    Local-global analysis on localized non-linear shells of revolution (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 933-941 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite element program is developed as a tool to analyse shells of revolution with local non-linearities. In reality, shells of revolution often exhibit local deviations, like a cut-out, a junction and/or an imperfection. The stress concentration around a local deviation may produce plasticity and/or geometric non-linearities in the surrounding region. The analytical model consists of three different types of elements: rotational, transitional and general. The rotational shell elements are used in the region where the shell is axisymmetrical and linear, while the two-dimensional general shell elements are deployed in the deviation region where non-linearities may occur. Transitional shell elements connect the two distinctively different types of elements to achieve displacement field continuities. The solution using the local-global system with appropriate condensation and a predicted stress incremental procedure is suggested. It is shown that the technique is a very attractive alternative to the entirely general element style analysis for axisymetric shell structures with local deviations.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101109
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 144
    Electronic Resource
    Electronic Resource
    Comments on ‘equivalent versions of the quick scheme for finite-difference and finite-volume numerical methods’ (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 949-953 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101111
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 145
    Electronic Resource
    Electronic Resource
    Conference diary (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 955-956 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101112
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 146
    Electronic Resource
    Electronic Resource
    Announcements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 957-959 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101113
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 147
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101201
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 148
    Electronic Resource
    Electronic Resource
    Further developments towards a new virtual-pulse time integral methodology for general non-linear transient thermal analysis (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 961-970 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: New developments of describing the theoretical basis towards an effective virtual-pulse (VIP) time integral methodology are proposed for general non-linear transient heat transfer problems. Primarily to validate the proposed methodology of computation, simple numerical test cases are provided and comparisons are also drawn with the implicit second-order-accurate Crank-Nicolson method. For the models tested, the proposed method has comparable or improved accuracy and stability characteristics. The VIP methodology introduced here for tackling non-linear thermal problems offers attractive features and is a viable alternative to traditional time-stepping practices. Efforts are underway to demonstrate the practical applicability to multi-dimensional thermal analysis.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101202
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 149
    Electronic Resource
    Electronic Resource
    An optimized implementation of the Newmark/Newton-Raphson algorithm for the time integration of non-linear problems (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 983-992 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper describes an optimized computational implementation of a basic ‘building block’ for non-linear structural dynamic analysis programs: the combination of the modified Newton-Raphson iterative technique with an implicit time integration operator (in this case a member of the Newmark family), working in an incremental--iterative formulation for the equations of motion. The objective of this implementation is to attain improved computational efficiency, regarding both CPU time and memory requirements. The basic formulation and derivation are presented, along with the implementation details; the positive aspects related to the computational optimization are highlighted.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101204
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 150
    Electronic Resource
    Electronic Resource
    An improved FE expansion for micropolar localization analysis (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 1005-1012 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A mixed variational principle is presented for the geometrically linear micropolar continuum. Then a suitable discretization and its implementation are discussed, resulting in an improved element behaviour for micropolar localization analysis. The intriguing element performance is demonstrated for the case of localization within a compression problem.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101206
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 151
    Electronic Resource
    Electronic Resource
    Coupled discrete-layer finite elements for laminated piezoelectric platess (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 971-981 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Finite element models based on discrete-layer theories are presented for the coupled-field analysis of laminated plates containing piezoelectric layers. The three displacements and the electrostatic potential are treated as unknowns in this formulation, which allows for piece-wise approximations of the variables through the thickness of each layer. Two specific models are demonstrated in which the transverse displacement is either variable or constant, and the in-plane displacements and potential take piece-wise linear approximations through the thickness. The models are applied to example problems with applied surface tractions and specified surface potentials. Good agreement is found with exact solutions.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101203
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 152
    Electronic Resource
    Electronic Resource
    Comparison of explicit and implicit finite element methods in the quasistatic simulation of uniaxial tension (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 993-1003 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: On the basis of simple one-dimensional finite element analyses, comparison in simulations of uniaxial tension using explicit dynamic and implicit static tonnulations has been made. Results show that for materials having a Hollomon-type constitutive law with power-law strain rate sensitivity, the explicit dynamic method can be employed for the quasistatic simulations of tensile tests only below the critical test velocities or critical normalized material densities. These critical values are determined numerically as a function of material parameters.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101205
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 153
    Electronic Resource
    Electronic Resource
    A new type of B3-spline interpolation (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 1013-1020 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new type of B3-spline interpolation is presented. This new formulation allows the user to introduce interior point and line supports in much the same way as in a conventional finite element formulation. The bandedness and efficiency of the standard B3-spline interpolation are retained. The new formulation can be incorporated into existing B3-spline formulations with very little effort. Several examples are presented to demonstrate the versatility of the new approach.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101207
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 154
    Electronic Resource
    Electronic Resource
    Conference diary (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 1045-1046 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101210
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 155
    Electronic Resource
    Electronic Resource
    Announcements (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 1047-1048 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101211
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 156
    Electronic Resource
    Electronic Resource
    A note on the calculation of consistent tangent operators for Von Mises and Drucker-Prager plasticity (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 1021-1025 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A comparison is made of implementations of consistent tangent operators that arise in implicit integration of Von Mises and Drucker-Prager yield criteria. When computing the consistent tangent operator a matrix inversion has to be performed at integration point level. The consequences of different formulations of the consistent tangent operator on the numerical accuracy are assessed.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101208
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 157
    Electronic Resource
    Electronic Resource
    Boundary characteristic orthogonal polynomials in numerical approximation (1994)
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 1027-1043 
    Details
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper describes a procedure to generate boundary characteristic orthogonal polynomials (BCOPs) over a domain in Rn. The method is based upon the Gram-Schmidt process of orthogonalization. The orthogonal polynomial sequence (OPS) is generated from a set of linearly independent functions which satisfy the given boundary conditions. The procedure is illustrated by taking several examples in R2, the most important case from the application point of view. Extensive numerical work has been carried out for simple domains like the circle, square and isosceles right-angled triangle. The following cases have been considered: (a) when the BCOPs vanish on the boundary; (b) when they and their normal derivatives vanish on the boundary; (c) when no conditions have been imposed on the boundary. The results for other geometries such as an ellipse, a parallelogram and an arbitrary triangle follow by some simple transformations. The procedure is also applicable to one-dimensional problems and can be easily extended to R3.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cnm.1640101209
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 158
    Electronic Resource
    Electronic Resource
    Approximate factorizations with modified S/P consistently ordered M-factors (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 3-17 
    Details
    ISSN: 1070-5325
    Keywords: M-matrices ; Preconditioning ; Incomplete factorizations ; Consistent orderings ; Matrix graphs ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Preconditioned iterative methods are widely used to solve linear systems such as those arising from the finite element formulation of boundary value problems and approximate factorizations are widely used as preconditioners. The ordering of the unknowns is therefore an important issue because it has a strong influence on the convergence behaviour of the iteration method while it is also a decisive aspect for their parallel implementation. Consistent orderings are attractive for parallel implementations and it has been shown that some subclasses of these orderings also enhance the convergence behaviour of the associated iteration methods. This has in particular been shown for the so-called S/P consistent orderings. A wider definition of this class of orderings has recently been proposed and we investigate here how approximate factorizations should be implemented when using such more general orderings (still called S/P consistent) in order to keep their expected high convergence properties. A simple practical conclusion is suggested, supported by both theoretical and numerical arguments.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010103
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 159
    Electronic Resource
    Electronic Resource
    S/P images of upper triangular M-matrices (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 19-31 
    Details
    ISSN: 1070-5325
    Keywords: M-matrices ; Preconditioning ; Incomplete factorizations ; Consistent orderings ; Matrix graphs ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Preconditioning by approximate factorizations is widely used in iterative methods for solving linear systems such as those arising from the finite element formulation of many engineering problems. The influence of the ordering of the unknowns on their convergence behaviour has been the subject of recent investigations because of its particular relevance for the parallel implementation of these methods. Consistent orderings are attractive for parallel implementations and subclasses of these orderings have been shown to also enhance the convergence properties of the associated preconditioned iteration scheme. The present contribution is concerned with one such class of orderings, called S/P consistent orderings. More precisely, we review here their known properties and we propose a new definition which enlarges their scope of application. A device, called S/P image of an upper triangular M-matrix, provides a criterion for checking S/P consistency and a means to compute a relevant parameter, called maximal reduction ratio. All known properties of S/P consistent orderings are generalized to the new definition.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010104
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 160
    Electronic Resource
    Electronic Resource
    About the Front Cover (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 103-103 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010109
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 161
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010201
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 162
    Electronic Resource
    Electronic Resource
    Variable-step multilevel preconditioning methods, I: Self-adjoint and positive definite elliptic problems (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 75-101 
    Details
    ISSN: 1070-5325
    Keywords: Variable-step preconditioners ; Nonlinear preconditioning ; Generalized conjugate gradient method ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: When solving large size systems of equations by preconditioned iterative solution methods, one normally uses a fixed preconditioner which may be defined by some eigenvalue information, such as in a Chebyshev iteration method. In many problems, however, it may be more effective to use variable preconditioners, in particular when the eigenvalue information is not available.In the present paper, a recursive way of constructing variable-step of, in general, nonlinear multilevel preconditioners for selfadjoint and coercive second-order elliptic problems, discretized by the finite element method is proposed. The preconditioner is constructed recursively from the coarsest to finer and finer levels. Each preconditioning step requires only block-diagonal solvers at all levels except at every k0, k0 ≥ 1 level where we perform a sufficient number ν, ν ≥ 1 of GCG-type variable-step iterations that involve the use again of a variable-step preconditioning for that level.It turns out that for any sufficiently large value of k0 and, asymptotically, for ν sufficiently large, but not too large, the method has both an optimal rate of convergence and an optimal order of computational complexity, both for two and three space dimensional problem domains.The method requires no parameter estimates and the convergence results do not depend on the regularity of the elliptic problem.
    Additional Material: 8 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010108
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 163
    Electronic Resource
    Electronic Resource
    Upper bound of the constant in the strengthened C.B.S. inequality for FEM 2D elasticity equations (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 65-74 
    Details
    ISSN: 1070-5325
    Keywords: Elasticity ; Finite elements ; preconditioning ; Multilevel ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: The basic theory of the strengthened Cauchy-Buniakowskii-Schwarz (C.B.S.) inequality is the main tool in the convergence analysis of the recently proposed algebraic multilevel iterative methods. An upper bound of the constant γ in the strengthened C.B.S. inequality for the case of the finite element solution of 2D elasticity problems is obtained. It is assumed that linear triangle finite elements are used, the initial mesh consisting of right isosceles triangles and the mesh refinement procedure being uniform. For the resulting linear algebraic systems we have proved that γ2〈0.75 uniformly on the mesh parameter and on Poisson's ratio ν ∊ (0, 1/2). Furthermore, the presented numerical tests show that the same relation holds for arbitrary initial right triangulations, even in the case of degeneracy of triangles.The theoretical results obtained are practically important for successful implementation of the finite element method to large-scale modeling of complicated structures. They allow us to construct optimal order algebraic multilevel iterative solvers for a wide class of real-life elasticity problems.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010107
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 164
    Electronic Resource
    Electronic Resource
    A row relaxation method for large ℓp least norm problems (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 247-263 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: This paper presents a row relaxation method for solving the regularized ℓp least norm problem \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm minimize}P({\rm x}) = \frac{1}{2}\varepsilon \parallel {\rm x}\parallel _{\rm 2}^{\rm 2} + \parallel A{\rm x} - {\rm b}\parallel _p^p /p $$\end{document} where e and p are positive constants, 1〈p〈∞ The interest that we have in this problem lies in the observation that for small values of E the minimizer of P (X ) is a good substitute for a minimizer of the unregularized problem \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm minimize }U({\rm x}) = \parallel A{\rm x} - {\rm b}\parallel _p^p /p $$\end{document} It is shown that the dual of the regularized problem has the form \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm minimize }D({\rm y}) = {\rm b}^T {\rm y} - \frac{1}{2}\varepsilon \parallel A^T {\rm y/}\varepsilon \parallel _2^2 - \parallel {\rm y}\parallel _q^q /q $$\end{document} where q = p /(p - 1). Moreover, if y solves the dual problem then X = ATy/∊ solves the primal problem and P(ATy/∊) = D(y). Maximizing the dual objective function by changing one variable at a time results in a row relaxation method that resembles Kaczmarz's method. This feature makes the new method suitable for solving large sparse C, problems that arise in computerized tomography, geophysics, and groundwater hydrology. Numerical experiments illustrate the feasibility of our ideas.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010304
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 165
    Electronic Resource
    Electronic Resource
    Conference Diary (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 331-333 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010308
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 166
    Electronic Resource
    Electronic Resource
    A class of difference ABS-type algorithms for a nonlinear system of equations (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 313-329 
    Details
    ISSN: 1070-5325
    Keywords: Discretization method ; Nonlinear ABS class ; Newton-type method ; Quadratic convergence ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In this paper we give a class of algorithms for solving nonlinear algebraic equations using difference approximations of derivatives. The class is a modification of the original ABS class with the advantage of requiring less function evaluations. Special cases include the methods of Brown and Brent and the discretized Newton method, which is formulated in a way requiring fewer function evaluations per iteration.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010307
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 167
    Electronic Resource
    Electronic Resource
    Improved SSOR and incomplete Cholesky solution of linear equations on shared memory and distributed memory parallel computers (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 287-311 
    Details
    ISSN: 1070-5325
    Keywords: Linear systems ; Incomplete factorizations ; Parallel computation ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In this paper two new implementations of SSOR and incomplete factorization preconditioners are given, for shared memory and distributed memory parallel computers respectively. These new implementations give increased solution speeds for matrix problems such as those arising from discretized partial differential equations with natural ordering of the grid points, for which it is well-known that the standard implementation of these preconditioners is difficult to parallelize effectively. For shared memory machines, a new technique is presented here which decreases the number of synchronization points in each preconditioning step and thus allows better parallel speedups. For distributed memory machines, an implementation based on block cyclic reduction is given which circumvents the problem of idle processors during the preconditioning phase. Descriptions of the implementations are given, and numerical comparisons are given for a model diffusion problem on the Cray Y-MP and the CM-2 Connection Machine.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010306
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 168
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010401
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 169
    Electronic Resource
    Electronic Resource
    On the use of periodicity properties for the efficient numerical solution of certain Markov chains (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 265-286 
    Details
    ISSN: 1070-5325
    Keywords: Continuous and discrete-time Markov chains ; P-cyclic graph structure ; Reduced schemes ; Numerical solution methods ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Markov chains with periodic graphs arise frequently in a wide range of modelling experiments. Application areas range from flexible manufacturing systems in which pallets are treated in a cyclic manner to computer communication networks. The primary goal of this paper is to show how advantage may be taken of this property to reduce the amount of computer memory and computation time needed to compute stationary probability vectors of periodic Markov chains. After reviewing some basic properties of Markov chains whose associated graph is periodic, we introduce a ‘reduced scheme’ in which only a subset of the probability vector need be computed. We consider the effect of the application of both direct and iterative methods to the original Markov chain (permuted to normal periodic form) as well as to the reduced system. We show how the periodicity of the Markov chain may be efficiently computed as the chain itself is being generated. Finally, some numerical experiments to illustrate the theory, are presented.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010305
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 170
    Electronic Resource
    Electronic Resource
    On the roots of the orthogonal polynomials and residual polynomials associated with a conjugate gradient method (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 449-475 
    Details
    ISSN: 1070-5325
    Keywords: Orthogonal ; polynomials ; Residual polynomials ; Conjugate ; gradient ; method ; Ritz values ; Field of values ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In this paper we explore two sets of polynomials, the orthogonal polynomials and the residual polynomials, associated with a preconditioned conjugate gradient iteration for the solution of the linear system Ax = b. In the context of preconditioning by the matrix C, we show that the roots of the orthogonal polynomials, also known as generalized Ritz values, are the eigenvalues of an orthogonal section of the matrix C A while the roots of the residual polynomials, also known as pseudo-Ritz values (or roots of kernel polynomials), are the reciprocals of the eigenvalues of an orthogonal section of the matrix (C A)-1. When C A is selfadjoint positive definite, this distinction is minimal, but for the indefinite or nonselfadjoint case this distinction becomes important. We use these two sets of roots to form possibly nonconvex regions in the complex plane that describe the spectrum of C A.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010503
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 171
    Electronic Resource
    Electronic Resource
    Conference Diary (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 505-509 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010505
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 172
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994) 
    Details
    ISSN: 1070-5325
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010601
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 173
    Electronic Resource
    Electronic Resource
    A comparison of some domain decomposition and ILU preconditioned iterative methods for nonsymmetric elliptic problems (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 477-504 
    Details
    ISSN: 1070-5325
    Keywords: Domain decomposition ; Preconditioning ; Iterative methods ; Nonsymmetric and/or indefinite elliptic problems ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: In recent years, competitive domain-decomposed preconditioned iterative techniques of Krylov-Schwarz type have been developed for nonsymmetric linear elliptic systems. Such systems arise when convection-diffusion-reaction problems from computational fluid dynamics or heat and mass transfer are linearized for iterative solution. Through domain decomposition, a large problem is divided into many smaller problems whose requirements for coordination can be controlled to allow effective solution on parallel machines. A central question is how to choose these small problems and how to arrange the order of their solution. Different specifications of decomposition and solution order lead to a plethora of algorithms possessing complementary advantages and disadvantages. In this report we compare several methods, including the additive Schwarz algorithm, the classical multiplicative Schwarz algorithm, an accelerated multiplicative Schwarz algorithm, the tile algorithm, the CGK algorithm, the CSPD algorithm, and also the popular global ILU-family of preconditioners, on some nonsymmetric or indefinite elliptic model problems discretized by finite difference methods. The preconditioned problems are solved by the unrestarted GMRES method. A version of the accelerated multiplicative Schwarz method is a consistently good performer.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010504
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 174
    Electronic Resource
    Electronic Resource
    DRIC: A dynamic version of the RIC method (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 511-532 
    Details
    ISSN: 1070-5325
    Keywords: Iterative methods for linear systems ; Acceleration of convergence ; Preconditioning ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: A new incomplete factorization method is proposed, differing from previous ones by the way in which the diagonal entries of the triangular factors are defined. A comparison is given with the dynamic modified incomplete factorization methods of Axelsson-Barker and Beauwens, and with the relaxed incomplete Cholesky method of Axelsson and Lindskog. Theoretical arguments show that the new method is at least as robust as both previous ones, while numerical experiments made in the discrete PDE context show an effective improvement in many practical circumstances, particularly for anisotropic problems.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010602
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 175
    Electronic Resource
    Electronic Resource
    Parallel block preconditioning based on SSOR and MILU (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Numerical Linear Algebra with Applications 1 (1994), S. 533-553 
    Details
    ISSN: 1070-5325
    Keywords: Preconditioning ; MILU ; SSOR ; Finite difference discretization ; Convection-diffusion equation ; Parallel computer ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics
    Notes: Two kinds of parallel preconditioners for the solution of large sparse linear systems which arise from the 2-D 5-point finite difference discretization of a convection-diffusion equation are introduced. The preconditioners are based on the SSOR or MILU preconditioners and can be implemented on parallel computers with distributed memories. One is the block preconditioner, in which the interface components of the coefficient matrix between blocks are ignored to attain parallelism in the forward-backward substitutions. The other is the modified block preconditioner, in which the block preconditioner is modified by taking the interface components into account. The effect of these preconditioners on the convergence of preconditioned iterative methods and timing results on the parallel computer (Cenju) are presented.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nla.1680010603
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 176
    Electronic Resource
    Electronic Resource
    Electron correlations and transport effective mass in narrow-band systems and the Hubbard model (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 727-738 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Hubbard model is rederived from a tight-binding band calculation, showing that, as long as parameters are properly chosen, the model is justified for calculating electronic properties of narrow-band systems. The treatment is extended by including correlations and it was found that bound solutions called dimers exist. The concept of dimers is found to be very powerful for understanding the unusual properties of heavy fermion systems. However, a Mott-Hubbard-like model may be required to calculate properties of high Tc cuprates. © 1994 John Wiley & Sons, Inc.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490514
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 177
    Electronic Resource
    Electronic Resource
    Addendum (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 771-771 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490516
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 178
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490601
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 179
    Electronic Resource
    Electronic Resource
    Ab initio study of the low-lying electronic states of the CH2NO2 radical (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 781-788 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ab initio electronic structures calculations are reported for the four low-lying electronic states X 2B1, 2B2, 2A2, and 2A1 of the CH2NO2 radical. The geometric parameters for the ground-state X 2B1 are predicted by MRSDCI calculations with a double zeta plus polarization basis set. The vertical excitations energies for these electronic states are determined using MRSDCI/DZ+P calculations at the ground-state equilibrium geometry and in agreement with the recent experimental data obtained via PES of the CH2NO2- anion. The oscillator strenghts and the radiative lifetimes for these electronic states and the spin properties for the ground state are calculated based on the MRSDCI wave functions, predicting results in good agreement with available experimental data. © 1994 John Wiley & Sons, Inc.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490603
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 180
    Electronic Resource
    Electronic Resource
    Feynman path integral representation for many-fermion interacting systems (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 789-804 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A many-fermion interacting system is investigated within the scenario of the Feynman path integral representation of quantum mechanics. Short-time propagator algorithms and a basis set, closely related to the coherent states, are used to obtain the many-body analytic propagator. A second-quantized Hamiltonian involving a restricted set of two-body interactions and the whole set of Coulomb interactions are separately and shown to lead to an exact and an approximate propagator, respectively. In the latter case, use of a grand canonical ensemble allows the grand partition function and the density operator matrix to be readily obtained. No further approximations are required in the calculation of the trace of the evolution operator involved in the evaluation of statistical expectation values. © 1994 John Wiley & Sons, Inc.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490604
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 181
    Electronic Resource
    Electronic Resource
    A “canonical functions” approach to the eigenvalues of a system of two coupled Schrödinger equation (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 773-780 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The problem of the determination of eigenvalues for two coupled Schrödinger equations is considered. A new method to solve this problem is presented. This method replaces the use of the wave functions (with unknown initial values) by eight canonical functions αij and βij (i = 1,2; j = 1,2) having well-defined initial values at an arbitrary “origin” r0. These functions are collected in four couples; each one is the solution of the given coupled equations. For a given E, an “eigenvalue functions” D(E) is defined by an analytical expression depending on αij (r) and βij (r) at r = 0 and r = ∞ only. The successive eigenvalues En of the given system are precisely the successive intersection of the graph D(E) with the E-axis. The present method eliminates the conventional use of wave function initial values as well as the conventional problem of the prior guess of the limit points; it determines these points automatically. It eliminates also the use of trial values for E and the need of iterations for its correction. The numerical application of a standard example used by Friedman and co-workers (1990) shows that the eigenvlues computed by the present method are highly accurate for low and high levels; the average relative discrepancy between computed and exact levels is about 3.4 × 10 -15 (this discrepancy never exceeds 1.6 × 10 -14), which is almost the precision of the computer. © 1994 John Wiley & Sons, Inc.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490602
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 182
    Electronic Resource
    Electronic Resource
    Equilibrium geometry and electronic structure of benzylidene, arylethylidene, and heterocyclic arylidene malononitriles (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 805-816 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The equilibrium geometry of some benzylidene, arylethylidene, and heterocyclic arylidene malononitriles has been calculated within the framework of the MNDO-MO formalism. Various structural factors are analyzed and discussed in terms of localized and delocalized MOS and π-interaction between methylene malononitrile (MMN) and aryl moieties. The possibility of charge transfer (CT) from aryl to MMN moieties has been examined. The presence of a heterocyclic ring introduces a small perturbation into the MMN nuclear frame. p-Substituents have a pronounced effect on the magnitude and direction of the dipole moment. The variation of ionization potentials and bond order with the Hammet σ p are examined and a straight-line relationship is obtained. The correlation between physiological activity and quantum mechanical properties is analyzed in terms of heat of formation, ionization potential, dipole moment, and charge density on the aryl ring. © 1994 John Wiley & Sons, Inc.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490605
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 183
    Electronic Resource
    Electronic Resource
    Brueckner coupled cluster response functions (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 835-848 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A derivation of the linear response function for the Brueckner coupled cluster method is presented that enables the calculation of second-order molecular properties such as frequency-dependent polarizabilities. By using the Brueckner orbital variant of coupled cluster theory, the spurious pole structure inherent in the standard coupled cluster approach with orbital relaxation is avoided. © 1994 John Wiley & Sons, Inc.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490607
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 184
    Electronic Resource
    Electronic Resource
    Optimized triple-zeta Gaussian basis sets for use with relativistic effective potentials (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 817-833 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Contracted split valence 311 Gaussian basis sets optimized for the averaged relativistic effective potentials (AREP) of Christiansen et al. are developed for the main-group elements B—Ne, Al—Ar, and Ga—Kr. These triple-zeta basis sets are intended for use in valence-only molecular calculations with inclusion of correlation. The performance of the optimized basis functions is first analyzed in HF atomic calculations and compared with HF-limit results. Molecular calculations at the HF, MP2, and CISD levels of theory are performed for some selected diatomics, using these potentials and the optimized sets supplemented by one standard d-type polarization function. Results are reported for bond lenghts, harmonic vibrational frequencies, dipole moments, atomization energies, and ionization energies and compared with all-electron reference calculations and experimental data. © 1994 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490606
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 185
    Electronic Resource
    Electronic Resource
    Long-range Casimir forces - theory and recent experiments on atomic systems. Series edited by F. S. Levin and D. A. Micha, Vol. 1, Finite Systems and Multiparticle Dynamics, Plenum Press, New York, London, 1993 (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 877-878 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490609
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 186
    Electronic Resource
    Electronic Resource
    Announcement (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 49 (1994), S. 879-881 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560490610
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 187
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500101
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 188
    Electronic Resource
    Electronic Resource
    A new single-center method to compute molecular integrals of quantum chemistry in slater-type orbital basis of functions (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 21-42 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The present work is dedicated to the introduction of a new single-center expansion method derived from the Barnett and Coulson approach leading to reliable numerical algorithms. The basic concept lies in the use of the integral representations of the modified Bessel functions Iλ+1/2 and Kλ+1/2, rather than employing their closed analytical expressions that are known to involve large numbers that usually make the numerical calculation worthless. It is applied to two-center overlap and Coulomb integrals as well as to three-center nuclear attraction integrals useful in density functional theory. © 1994 John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500103
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 189
    Electronic Resource
    Electronic Resource
    Molecular cyclicity and centricity of polycyclic graphs. I. Cyclicity based on resistance distances or reciprocal distances (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 1-20 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Rules for molecular cyclicity based on the global indices resulting from reciprocal distances (Harary number, H) or from resistance distances (Kirchhoff number, Kf) were tested in comparison with those elaborated earlier by means of the Wiener index, W. The Harary number and the Wiener number were found to match molecular cyclicity in an almost identical manner. The Kirchhoff number also generally follows cyclicity trends described previously. H is slightly less degenerate than is W, but Kf has practically no degeneracy in the graphs investigated here. Being much more discriminating than the Wiener number (i.e., practically nondegenerate), Kf allowed the formulation of new rules for systems formed from linearly condensed ribbons of even-membered rings with different sizes as well as for branched ribbons. The topological cyclicity patterns are thus reformulated in an extended basis, proceeding from three different graph metrics. © 1994 John Wiley & Sons, Inc.
    Additional Material: 8 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500102
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 190
    Electronic Resource
    Electronic Resource
    Population analysis of pair densities: A link between quantum chemical and classical picture of chemical structure (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 43-53 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The pairon population analysis based on the geminal expansion of pair densities is introduced and applied. As demonstrated by numerical data calculated for a series of simple molecules by the semiempirical MNDO method, the resulting populations provide a new simple means of visualizing the molecular structure. In addition to the reproduction of classical structural formula including the multiplicity of individual bonds, the resulting populations confirm the transferability of bond energies and also provide a simple interpretation of the concept of quantum chemical valence. © 1994 John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500104
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 191
    Electronic Resource
    Electronic Resource
    The orthogonal and the natural representation for symmetric groups (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 55-67 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In the present article, improved algorithms for evaluating the irreducible representations of the symmetric group associated with an arbitrary partition, such as the orthogonal, the natural, and the seminormal representation, are introduced and the relations among them are discussed. With the new algorithms, a representation matrix for the orthogonal or the seminormal representation is expressed as the product of three matrices, where two of them are the triangular intrinsic matrices depending on the irreducible representation of the symmetric group; the other relating to the permutation can be given explicitly. Furthermore, we give a concise description for the irreducible representations of the symmetric group and reach an interesting conclusion that the conjugation transformation matrix between the orthogonal and the natural representation is the intrinsic matrix of the symmetric group. © 1994 John Wiley & Sons, Inc.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500105
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 192
    Electronic Resource
    Electronic Resource
    Eclipsed and staggered conformations of (SIH3)2F+: An ab initio study (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 69-90 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ab initio calculations at 6-31G**, 6-31++G**, and MP2/6-31G** levels were performed on disilyl-fluoronium, (SiH3)2F+, with the SiH3 group eclipsed or staggered. Optimized geometries, total energies, dipole moments, atomic charges, electronic density, and vibrational frequencies were computed. The results were compared with calculated structural parameters and vibrational frequencies of H3SiF, H2SiF+, H2SiF-, and H4SiF+ ions. The basis-set effects were studied. Several thermochemistry parameters - ZPE, thermal energy, rotational constants, and entropies - were also calculated. © 1994 John Wiley & Sons, Inc.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500106
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 193
    Electronic Resource
    Electronic Resource
    Announcement (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 91-91 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500107
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 194
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994) 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500201
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 195
    Electronic Resource
    Electronic Resource
    Ab initio studies on the mechanism of the cycloaddition reaction between ketene and alleneThis project was supported by the national natural science fund of china. (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 93-99 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mechanism of the cycloaddition reaction between ketene and allene to form methylene-cyclobutanones has been studied theoretically by HF/3-21G and MP2/3-21G. These two reactions are believed to be unsynchronous and concerted, taking place through the twisted transition states. Four orbitals are mainly involved in each reaction, which is a “2 × [1 + 1]”-type cycloaddition. The activated barrier for the two reactions are 27.2 and 27.1 kcal/mol, respectively, at the level of MP2/6-31G* based on the MP2/3-21G geometries, i.e., these two reactions are compatible. © 1994 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500202
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 196
    Electronic Resource
    Electronic Resource
    Analytic properties of connected moments expansions (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 101-107 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The derivation of the connected moments expansion (CMX) is examined as well as the singularities that arise in the series expansion for the ground-state energy. Explicit analytic results are presented that show a canceling of these singularities. Also, an alternate moments expansion (AMX) is derived that closely models the CMX but displays a varied computational range. © 1994 John Wiley & Sons, Inc.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500203
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 197
    Electronic Resource
    Electronic Resource
    Theoretical prediction of the Infrared and Raman spectra of O-ethyl S-2-diisopropylaminoethylmethylphosphonothiolateThis paper was originally submitted for inclusion in the paper symposium dedicated to Prof. Robert G. Parr. (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 161-172 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have extended our computations of the structure and of the infrared and Raman spectra of methylphosphonates and related compounds to the O-ethyl S-2-diisopropylaminoethylmethylphosphonothiolate molecule (we abbreviate the name to ESD). We have computed the optimized geometry and the vibrational infrared and Raman frequencies of ESD by means of the Guassian 92 Program Package using 6-31G* basis sets. We assign the vibrational frequencies and we correct each frequency by multiplying it with a previously derived 6-31G* correction factor. The result is a computer-generated prediction of the IR and Raman spectra of ESD. The agreement between our theoretical predictions and the experimental IR spectrum of ESD is surprisingly good. © 1994 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500208
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 198
    Electronic Resource
    Electronic Resource
    Quantum chemistry study on B14, B142-, and B14H142- (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 173-179 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The structure of B14, B142-, and B14H142- in octahedral symmetry has been investigated by ab initio calculations at the STO-3G and 4-31G levels. The relationship of molecular orbitals among them has been analyzed and it can be found that the number of valence bonding orbitals of high borane obeys the Wade rule. The similarities and difference between boron clusters and carbon clusters are also discussed. © 1994 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500302
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 199
    Electronic Resource
    Electronic Resource
    Aromaticity in metallacyclobutadienes from the perspective of the valence bond theory (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 189-196 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The valence bond method has been implemented for the study of π-electron systems using a semiempirical CNDO-type Hamiltonian. The algorithm used is based on the Clifford algebra realization of the Rumer-Weyl basis presented by Paldus et al. Using this version of the CNDO-VB approach, the effect of the metal hybridization in the electronic delocalization of metallacyclobutadienes is discussed. © 1994 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500304
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 200
    Electronic Resource
    Electronic Resource
    Orbital binding effect in molecular orbital theory (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 50 (1994), S. 197-205 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Based on the virial theorem and the virial function, a description of the orbital binding effect and the definition of orbital bond order are developed within the framework of molecular orbital theory for both diatomic and polyatomic molecules. Orbital binding effect calculations for N2, CH4, C2H4, C2H2, and C4H4 molecules show that the definition is reasonable. © 1994 John Wiley & Sons, Inc.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560500305
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...