Jurnal Ilmu Fisika
Vol 14 No 2 (2022): September 2022

Rigid Procedure to Calculate the Melting Point of Metal Using the Solid-Liquid Phase (Coexistence) Method

Artoto Arkundato (Universitas Jember)
Wenny Maulina (Universitas Jember)
Lutfi Rohman (Universitas Jember)
Ratna Dewi Syarifah (Universitas Jember)
Mohammad Ali Shafii (Universitas Andalas)



Article Info

Publish Date
30 Aug 2022

Abstract

Melting point, particularly metal, is one of the important data for many applications. For developing new materials, adequate theories for melting point are very crucial. The determination of melting point using the popular phase-change curve method is very easy but usually overestimate. In current work, we determine the melting point of a pure metal (iron) using the method of solid-liquid phase coexistence. For this goal, molecular dynamics simulation was applied to obtain data of trajectories of atoms. Simulation (LAMMPS) and data analysis (OVITO) procedures are strictly applied to obtain the accurate melting point of iron based on the obtained trajectories data. For initial structure design of simulation, we used the ATOMSK program. The melting point of iron obtained using the phase change curve (PCC) method is about 2750 K < TPCC < 3250 K and using the coexistence phase (CP) method is TCP = 2325 K. A more accurate calculation needs to include defects factor in the simulated material and calculation. In this research we use the Morse potential to represent all of the atomic interaction among atoms of Fe material.

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Journal Info

Abbrev

jif

Publisher

Subject

Astronomy Earth & Planetary Sciences Materials Science & Nanotechnology Physics

Description

Jurnal Ilmu Fisika (JIF) is a peer-reviewed open access journal on interdisciplinary studies of physics, and is published twice a year (March and September) by Department of Physics, Andalas University ...