Accession Number : AD0660612

Title :   COMPUTER 'EXPERIMENTS' ON CLASSICAL FLUIDS. II. EQUILIBRIUM CORRELATION FUNCTIONS,

Corporate Author : YESHIVA UNIV NEW YORK BELFER GRADUATE SCHOOL OF SCIENCE

Personal Author(s) : Verlet,Loup

Report Date : APR 1967

Pagination or Media Count : 53

Abstract : Equilibrium correlation functions for a dense classical fluid are obtained by integrating the equation of motion of a system of 864 particles interacting through a Lennard-Jones potential. The behaviour of the correlation function at large distance, and that of its Fourier transform at large wave number are discussed in detail and shown to be related to the existence of a strong repulsion in the potential. A simple hard sphere model is shown to reproduce very well the Fourier transform of those correlations functions at high density, the only parameter of the model being the diameter a of the hard spheres. (Author)

Descriptors :   (*MOLECULAR ASSOCIATION, STATISTICAL FUNCTIONS), STATISTICAL MECHANICS, ATOMIC PROPERTIES, POTENTIAL ENERGY, INTEGRAL TRANSFORMS, GASES, POTENTIAL SCATTERING, PHASE STUDIES, LIQUID METALS, COMPUTER PROGRAMS

Subject Categories : Fluid Mechanics
      Atomic and Molecular Physics and Spectroscopy
      Thermodynamics

Distribution Statement : APPROVED FOR PUBLIC RELEASE