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  • 1
    Electronic Resource
    Electronic Resource
    Quantum fluid density functional theory of time-dependent processes (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 69 (1998), S. 279-291 
    Details
    ISSN: 0020-7608
    Keywords: quantum fluid density functional theory ; quantum theory of motion ; time-dependent processes ; electronegativity ; hardness ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A quantum fluid density functional theory has been developed through an amalgamation of the quantum fluid dynamics and the time-dependent density functional theory. It is used in studying typical time-dependent processes like ion-atom collisions and atom-field interaction. Temporal evolution of chemical reactivity parameters as electronegativity, hardness, entropy, and polarizability is monitored for a He atom in its ground and excited states interacting with an external electric field and an incoming proton. It is observed that these reactivity parameters either remain static or oscillate with the external field in the atom-field interaction case, whereas during the collision process, hardness and entropy maximize and polarizability minimizes for both the electronic states of the atom. The possibility of a quantum theory of motion within the purview of this quantum fluid density functional framework is also explored.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 279-291, 1998
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Orthogonal grid generation for Navier-Stokes computations (1998)
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 28 (1998), S. 215-224 
    Details
    ISSN: 0271-2091
    Keywords: orthogonal grids ; hyperbolic grid generation ; Navier-Stokes equations ; higher-order methods ; Engineering ; Numerical Methods and Modeling
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Body conforming orthogonal grids were generated using a fast hyperbolic method for aerofoils, and were used to solve the Navier-Stokes equation in the generalized orthogonal system for the first time for time accurate simulation of incompressible flow. For grid generation, the Beltrami equation and the definition equation for the orthogonality are solved using a finite difference method. The grids generated around aerofoils by this method have better orthogonality than the results published by earlier investigators. The Navier-Stokes equation at Reynolds numbers of 3000 and 35 000 for NACA 0012 and NACA 0015 respectively, have been solved as an application. The obtained results match quite well with the corresponding experimental results. © 1998 John Wiley & Sons, Ltd.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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