Moleküler Dinamik Benzetim Yönteminde Atom Sayısının Kristalleşme Süreci Üzerine Etkisi

Year 2011, Volume: 8 Issue: 1, - , 01.05.2011

Fatih Ahmet Çelik Sefa Kazanç

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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