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  • Engineering General  (3)
  • Biochemistry
  • 2020-2022
  • 1990-1994  (4)
  • 1994  (4)
  • 1
    Electronic Resource
    Electronic Resource
    Free vibration analysis and shape optimization of prismatic folded plates and shells with circular curved planform (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 1713-1739 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper deals with the elastic free vibration analysis and structural shape optimization of prismatic folded plate and shell structures with circular curved planform. The structures are supported on diaphragms at two opposite edges. The basic formulation of a family of curved variable thickness C(0) Mindlin-Reissner finite strips is presented. The accuracy and performance of these newly developed strips are explored through a series of examples including annular plate sectors, a box girder bridge and a cylinder with an interior longitudinal plate. Numerical results obtained are compared with results from other sources. The whole shape optimization process is carried out by integrating finite strip analysis, cubic spline shape and thickness definition, sensitivity analysis and mathematical programming. The objective is either the maximization of the fundamental frequency or the minimization of volume by changing the shape or thickness variation of the cross-section of the structure with constraints on the volume or natural frequencies. Several examples are included to illustrate and highlight various features of the optimization, including annular sector plates, a curved box girder bridge and a cylinder shell segment with curved pianform.
    Additional Material: 16 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371006
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  • 2
    Electronic Resource
    Electronic Resource
    Finite element formulation for a baffled, fluid-loaded, finite cylindrical shell (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 2971-2985 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new method for obtaining the response of a baffled, fluid-loaded, finite cylindrical shell using the finite element method is presented. The Galerkin finite element formulation for this problem utilizes a Neumann Green's function representation of the pressure loading on the shell. By representing the pressure loading in this manner, only the structure need be discretized. Both C0 and C1 finite element discretizations of the shell are considered. The finite element results are compared with the analytic solutions of the fluid-loaded cylinder which are obtained using an expansion of the displacement in terms of the in vacuo modes of the Naghdi-Cooper and Flügge shell theories.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620371708
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  • 3
    Electronic Resource
    Electronic Resource
    Finite element analysis of multicomponent two-phase flows with interphase mass and momentum transport (1994)
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 18 (1994), S. 821-842 
    Details
    ISSN: 0271-2091
    Keywords: Free-surface ; Interphase mass transfer ; Finite element two-phase flow ; Coating ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The application of the finite element method to multiphase flow problems with interphase mass and heat transfer is described. A general forinulation is used that determines the position of the interfacial boundary and allows for multiple solvents, differential volatilities and concentration- and temperature-dependent thermophysical properties. Species phase change and the dramatic volume change that acompanies interphase mass transfer make implementation of the theory challening, since these events lead to discontinuous velocities and concentrations at phase boundaries. These discontinuities are especially large in processes involving rapid evaporation or condensation. As examples we examine the effects of rapid drying on film and fibre formation of sol--gel materials, which are often laden with volatile species.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/fld.1650180903
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  • 4
    Electronic Resource
    Electronic Resource
    Reversed stereochemical preference in binding of Ro 31-8959 to HIV-1 proteinase: A free energy perturbation analysis (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 15 (1994), S. 1241-1253 
    Details
    ISSN: 0192-8651
    Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Ro 31-8959 is a highly potent inhibitor of HIV-1 proteinase in phase III clinical trials for treatment of AIDS. It is also the first subnanomolar inhibitor that demonstrated reversed stereochemical preference at the central hydroxyl group. Free energy perturbation calculations have been carried out to rationalize the preference for the R-diastereomer by consideration of two models of the (weaker) S-diastereomer. In the first model, the central hydroxyl group makes only one hydrogen bond with the active site aspartates, whereas the hydroxyl group in the second model makes at least three strong hydrogen bonds. Using the first model, the free energy difference in binding of Ro 31-8959 and its S-diastereomer is calculated to be 3.4 kcal/mol, which is in close agreement with the experimental value. Although the second model has a more favorable interaction with the active site aspartates compared to the first model, it has a higher energy N-axial conformation at the decahydroisoquinoline group in P1′. We show here that the two contributions cancel each other and the two models of S-diastereomer are predicted to have equivalent binding. The stereochemical preference in a hydroxyethylamine series of inhibitors appears to be affected by both intermolecular and intramolecular (conformational) energies. The binding data on the proline containing inhibitors are rationalized based on these results. © 1994 by John Wiley & Sons, Inc.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.540151106
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