TITLE
A MOLECULAR DYNAMICS SIMULATION STUDY ON THE INVESTIGATION OF THE MELTING PROCESS OF PURE ALUMINIUM USING DIFFERENT POTENTIALS
AUTHOR(S)
Murat Celtek1* , Unal Domekeli2
ABSTRACT
In this study, the melting process of pure aluminum (Al) element has been investigated by molecular dynamics (MD) simulations using different interatomic potentials. Embedded atom method (EAM) potential, Sutton-Chen (SC) and tight-binding (TB) many-body potentials are used to describe the interactions between Al atoms. Atomic simulations have been performed with the classical MD simulation software DL_POLY 2.0 package program developed at Daresbury Laboratory. The process is explained using volume-temperature (V-T), potential energy-temperature (PE-T) curves, pair distribution function (PDF) and Honeycutt-Andersen (HA) pair analysis method. It has been observed that the selected potentials are generally successful, although they have differences in explaining the values such as the lattice parameter and cohesive energy of Al at low temperatures. On the other hand, it has been observed that all potentials predicted the melting point of Al at different points. Moreover, the results of the present study are discussed by comparing them with appropriate experimental results in the literature. We believe that the results will shed light on scientists planning to study Al and its alloys.
DOI
DOWNLOAD
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How to cite this article:
Murat Celtek1* , Unal Domekeli2, A MOLECULAR DYNAMICS SIMULATION STUDY ON THE INVESTIGATION OF THE MELTING PROCESS OF PURE ALUMINIUM USING DIFFERENT POTENTIALS, UNITECH – SELECTED PAPERS - 2024