A study of a new algorithm for discrete LJ function method

摘要

A new algorithm is proposed for the discrete Lennard-Jones potential (U) function applied to the molecular dynamics (MD) method. The MD method is usually adapted in the analysis of a micro scale problem such as material design, while the cellar automata (CA) method is used for study of a macro scale problem such as hydrodynamics: The objective of this study is to consider whether or not the method used for macro scale problem can apply to micro scale problem. Discrete interaction is used in the CA method. Then discrete U function is assumed for compare the macro method with the micro method in the present study. The results by means of the MD method used discrete LJ function are compared with those of the MD method.