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  • METEOROLOGY AND CLIMATOLOGY  (1)
  • long-time tails  (1)
  • 1980-1984  (2)
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  • 1980-1984  (2)
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  • 1
    Electronic Resource
    Electronic Resource
    Tail shortening by discrete hydrodynamics (1982)
    Springer
    Journal of statistical physics 27 (1982), S. 389-405 
    Details
    ISSN: 1572-9613
    Keywords: Molecular dynamics ; transport coefficients ; viscosity ; time correlation functions ; long-time tails
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A discrete formulation of hydrodynamics was recently introduced, whose most important feature is that it is exactly renormalizable. Previous numerical work has found that it provides a more efficient and rapidly convergent method for calculating transport coefficients than the usual Green-Kubo method. The latter's convergence difficulties are due to the well-known “long-time tail” of the time correlation function which must be integrated over time. The purpose of the present paper is to present additional evidence that these difficulties are really absent in the discrete equation of motion approach. The “memory” terms in the equation of motion are calculated accurately, and shown to decay much more rapidly with time than the equilibrium time correlations do.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01008945
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    Paper (German National Licenses)
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  • 2
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    Studies of H2O on beta-AgI surfaces - An effective pair potential model (1980)
    In:  Other Sources
    Details
    Publication Date: 2019-06-27
    Description: The adsorption of a water molecule on surfaces of beta-AgI, the hexagonal crystal believed to be primarily responsible for the ice-nucleating properties of AgI, is studied on the basis of an effective pair potential model. The water molecule is represented by a rigid point charge ST-2 model and the AgI substrate by an array of point atoms, and maximal binding energy surfaces and optimal H2O configurations are generated for the water molecule adsorbed on the rigid and unrelaxed basal and prism faces. Modeling of H2O adsorption above a two-layer ledge, an iodine vacancy and an H2O molecule trapped in the vacancy indicates that H2O adsorption is favored at interstitial sites where no substrate atoms lie directly below. The prism face is found to attract the water molecule more strongly and provide larger energy barriers to surface diffusion than basal face sites, with the ideal basal faces providing hexagonal patterns of adsorption sites for the H2O with preferred dipole moments aligned.
    Keywords: METEOROLOGY AND CLIMATOLOGY
    Type: Journal of Chemical Physics; 73; July 15
    Format: text
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    NASA TECHNICAL REPORTS
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