Moleküler Dinamik Benzetim Yönteminde Atom Sayısının Kristalleşme Süreci Üzerine Etkisi

Abstract

This study has modelled CuAINi ternary alloy system through the use of the Parinello-Rahman molecular dynamic simulation method and examined the structural characteristics of this model during transition from amorphous phase to the crystal one. Furthermore, the effect of the quantity of atoms constituting MD cells on the crystallization time of this process has been investigated. Then, the number of 1421 bonded pairs has been analyzed by the Honeycut-Andersen method.

Keywords

• Crystallization,molecular dynamics simulation,Honeycutt-Andersen (HA) method

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