Computer simulation of the atomic behaviour in condensed phases
PublisherUniversitat Politècnica de Barcelona. Centre de Càlcul
Rights accessOpen Access
Molecular dynamics simulation method for the study of condensed phases of matter is described in this paper. Computer programs for the simulation of atomic motion have been developed. Time-saving techniques, like the cellular method have been incorporated in order to optimize the available computer resources. We have applied this method to the simulation of Argon near its melting point. Differences in the structure, thermodynamic properties and time correlation functions of solid and liquid phases are discussed.
ISSN0210-8054 (versió paper)