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  • Engineering General  (363)
  • Atomic, Molecular and Optical Physics  (161)
  • Wiley-Blackwell  (524)
  • 2005-2009
  • 1990-1994  (330)
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  • Wiley-Blackwell  (524)
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  • 1
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 36 (1993), S. 1279-1298 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An error estimate for the finite element method is presented in this paper. The error is identified as the response to a set of residual forces, and a complementary analysis provides an upper bound estimate of the global energy of the error. The inequality proposed by Babuška and Miller1 is then employed to bound the error in stress and displacement at a point. The formula is derived for two-dimensional elasticity, but the procedure is general; and can be applied to three-dimensional and other problems. Numerical experiments using the procedure are carried out and the results are given for the four-node bilinear compatible element and plane stress.
    Additional Material: 19 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 9 (1993), S. 917-924 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The reduction of stress concentration around a circular hole in a dynamically loaded plate by introducing auxiliary holes around the original hole is studied numerically. The solution of this plane stress problem is carried out in the Laplace transformed domain with the aid of the boundary-element method, and subsequently the time domain response is obtained by numerically inverting the transformed solution. Numerical examples are presented which demonstrate a stress reduction as high as 18 per pent by the introduction of two auxiliary holes in the loading direction for the uniaxial case.
    Additional Material: 4 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 81-87 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Dynamic stress intensity factors of cracked linear viscolastic solids under conditions of plane stress are computed by the boundary-element method in conjunction with the numerical Laplace transform and the correspondence principle of linear viscoelasticity. Quadratic isoparametric conventional and quarter-point boundary elements are employed. The multidomain approach is used in cases where symmetry cannot be invoked. Dynamic stress intensity factors are computed for cracked viscoelastic rectangular plates subjected to suddenly applied loads, and comparisons are made against results obtained by other numerical methods.
    Additional Material: 4 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 133-156 
    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 theoretically contracted agonist conformation of potent phenoxypropanolamine derivatives on the β1-adrenoceptor has been analyzed in detail. The main effect of the enthalpic contraction of some 6.0-7.0 kcal/mol arises from the movement of the nitrogen atom toward the aromatic ring by 0.7-0.8 Å, requiring some 3.0-3.5 kcal/mol. A second effect arising from the contraction can be a dihedral rotation of some 30° around the O—CH2 bond of the planar anisole moiety. This rotation is correlated with an effect arising from “in-plane” deformation of the anisole moiety where opening of the relevant bond angle releases steric constraints for this rotation. Ortho-substituents assist this rotation indirectly through hyperconjugation with the lone pair of the OCH2 group, electron-attracting substituents opening this bond angle and lowering the energy required to reach a given bond-angle deformation. The adjacent ring meta-substituent can be similarly affected, the strength of the total effect being also of the order of 3.0-3.5 kcal/mol. The net effect gives rise to a further contraction of the nitrogen atom and the betahydroxyl group toward the aromatic ring, the beta-hydroxyl group showing a contraction of up to 0.4-0.5 Å along the main axis of the conformer. The deformed conformation is consistent with the predicted conformer of a fixed-ring benzdioxepine molecule that possesses the highest degree of partial agonism within the set of phenoxypropanolamine agents. It is concluded that ortho-substituents in phenoxypropanolamine derivatives can retain steric freedom in both agonist and antagonist action provided that the substituent can accommodate the required deformation, both agonist and antagonist conformer forms lying within one unbound conformation. The agonist conformer is consistent with the proposed model for the ligand-activated transmembrane proton transfer in the β1-adrenoceptor where a contraction along the main axis of the ligand conformer (with some attendant distortion in the position of the β-hydroxyl moiety) is required to activate proton transfer. © 1994 John Wiley & Sons, Inc.
    Additional Material: 8 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 129-137 
    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: Molecular dynamics simulations are used to study hypervelocity impacts of an ultrathin flyer plate with a semi-infinite two-dimensional model diatomic molecular solid. We show that these hypervelocity impacts can produce a dissociative phase transition from a molecular to a close-packed solid in the target material. We also show that hypervelocity impacts of ultrathin plates can produce extensive chemical reactions leading to a detonation accompanied by a phase transition in an energetic version of the model. © 1994 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 401-408 
    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 pairwise intercorrelation between 12 topological indices is studied in benzenoid hydrocarbons with up to six rings. The functions used in the intercorrelations were linear, quadratic, cubic, power low, and logarithmic relationships. The last two relationships failed to intercorrelate the selected topological indices. The results obtained suggested that there are basically three subclasses of independent topological indices in the benzenoids studied. When contrasted with the previous findings in alkanes, our results suggest that the cyclicity leads to the stronger intercorrelation of topological indices than the branching of a molecule. © 1992 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 31 (1991), S. 837-857 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The finite strip method is extended to the non-linear, static analysis of cylindrical shells. Large deflection effects are incorporated via first-order non-linearities in the strain-displacement relations, and material non-linearities are included via the von Mises yield criteria and associated flow rule. Numerical results are presented for various example problems including the diaphragm supported cylindrical shell-roof problem, an axisymmetric cylindrical shell loaded by radial pressure, the cylindrical shell-roof problem with clamped curved ends and a pressure loaded cylindrical panel clamped all round. The results are compared with known results from analytical and/or finite element analyses. The results indicate that a single bending mode in the strip direction is sufficient in most cases to yield engineering accuracy for preliminary design purposes.
    Additional Material: 14 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 34 (1992), S. 117-164 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In Parts I to V of the present work, the formulation and finite element implementation of a non-linear stress resultant shell model are considered in detail. This paper is concerned with the extension of these results to incorporate completely general non-linear dynamic response. Of special interest here is the dynamics of very flexible shells undergoing large overall motion which conserves the total linear and angular momentum and, for the Hamiltonian case, the total energy. A main goal of this paper is the design of non-linear time-stepping algorithms, and the construction of finite element interpolations, which preserve exactly these fundamental constants of motion. It is shown that only a very special class of algorithms, namely a formulation of the mid-point rule in conservation form, exactly preserves the total linear and angular momentum. For the Hamiltonian case, a somewhat surprising result is proved: regardless of the degree of non-linearity in the stored-energy function, a generalized mid-point rule algorithm always exists which exactly conserves energy The conservation properties of a time-stepping algorithm need not, and in general will not, be preserved by the spatial discretization. Precise conditions which ensure preservation of these conservation properties are derived. A number of numerical simulations are presented which illustrate the exact conservation properties of the proposed methodology.
    Additional Material: 22 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 17 (1981), S. 573-599 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The dynamic stress field and its concentrations around holes of arbitrary shape in infinitely extended bodies under plane stress or plane strain conditions are numerically determined. The material may be linear elastic or viscoelastic, while the dynamic load consists of plane compressional waves of harmonic or general transient nature. The method consists of applying the Laplace transform with respect to time to the governing equations of motion and formulating and solving the problem numerically in the transfomed domain by the boundary integral equation method. The stress field can then be obtaind by a numerical inversion of the trasformed solution. The correspondence principle is invoked for the case of viscoelastic material behavious. The method is simplified for the case of harmonic waves where no numerical inversion is involved.
    Additional Material: 21 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 19 (1983), S. 765-771 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Additional Material: 8 Ill.
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