PURPOSE: To drastically reduce the simulation performing time by providing a potential function part for deriving force between atoms for reproducing a mechanical property of a solid crystal and a calculating part for performing the deduction wherein the dynamic process of the atom is followed by the molecular dynamical method on the basis of the condition set in the condition setting part.
CONSTITUTION: Input of the processing condition is performed in a condition setting part 11. In a potential function part 12, a parameter 21 of copper of a two-body potential function having the small calculating amount, a parameter 22 of copper of an EAM potential function having the large calculating amount, and having high precision, and a condition 23 for switching two potentials are input. The calculation of simulation of the processing is performed by a calculating unit 13 by using these conditions. The coordinates of respective atoms in respective times, output from the calculating unit 13 are sequentially held by a data holding unit 14.
YOKOZUKA TATSUO
KAWACHI YOSHIKAZU
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