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Atomistic Simulation of the Structural, Elastic and Thermodynamic Properties of Fullerite
Author(s) -
Sekkal W.,
Krallafa A.,
Aourag H.
Publication year - 1997
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(199706)201:2<355::aid-pssb355>3.0.co;2-r
Subject(s) - molecular dynamics , simple (philosophy) , statistical physics , thermodynamics , intermolecular force , lennard jones potential , materials science , intermolecular interaction , computational chemistry , molecule , chemistry , physics , philosophy , organic chemistry , epistemology
In this paper, we use a simple intermolecular Lennard‐Jones potential with a Molecular Dynamics Simulation (MD) in order to determine the structural, elastic and thermodynamic properties of solid C 60 .