Study of LAMMPS Program for Creation of Metal Clusters

Abstract

This article explores the use of the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) for the creation and simulation of metallic clusters. LAMMPS, a powerful molecular dynamics (MD) tool, is extensively employed in materials science to study various properties of metals, alloys, and other materials at the atomic scale. The process of generating metallic clusters involves simulating interactions among atoms using embedded atom method (EAM) potentials, which are specifically designed for metallic systems. This work highlights the steps to create a metallic cluster model, run simulations, and analyze the structural and dynamic properties of the resulting clusters. We also discuss the challenges in accurately representing atomic interactions and how LAMMPS enables the efficient computation of physical properties such as energy minimization, atomic coordination, and stability of clusters. By utilizing LAMMPS, researchers can gain deeper insights into the behavior of metallic nanostructures, which is critical for applications in catalysis, nanotechnology, and materials engineering.