
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 LennardJones 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