Komparasi Penentuan Titik Leleh Logam Aluminium untuk Berbagai Model Energi Potensial dengan Metode Dinamika Molekul

Abstract

Comparison of melting point determination of aluminum metal for various potential models using the molecular dynamics method is intended to determine the application of the best potential model to metal materials based on the comparison of melting point values to experimental values. There are three potential model variations, namely Lennard-Jones, Morse, and Embedded Atomic Method (EAM). This research method uses the LAMMPS molecular dynamics simulation program whose results are the basis for making a graph of changes in the phase curve of the material to predict the melting point. The OVITO program visualizes the LAMMPS simulation results and analyzes the material structure further. The melting point value obtained by Lennard-Jones (LJ) is 474 K or 201.9℃, the Morse potential model obtained a melting point value of 1992.08 K or 1719.08℃, and the embedded atomic method (EAM) potential model obtained an aluminum melting point of 1345.8 K or 1072.8℃. The results of the comparison of the three potential models have significant differences in melting point values. Based on the results of data analysis, the EAM potential model produces a value of 1345.8 K or 1072.8 ℃ where the value is closest to the experimental study value of 660.2 ℃.