Thermodynamics and Crystal Structure Analysis on Melting of Copper Nanoparticle: A Molecular Dynamics Study

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Riser Fahdiran, Anggara Budi Susila, Iwan Sugihartono, Erfan Handoko, Esmar Budi, Setia Budi

2025 AIP Conference Proceedings Vol. 3197 Issue 1 Conference paper Cited by 0 SDG 7 Quartile

Abstract

We studied the melting behavior of copper nanoparticles under a constant heating rate. The copper nanoparticle is prepared by means of Molecular Dynamics (MD) simulation. The nanoparticle diameter is 10 nm which consists of 46,014 atoms. The temperature of the system is heated from 0 K to 1400 K in 10 ps with heating rate 140 K/ps. The final temperature is already above melting point of bulk copper. The temperature and pressure analysis indicated that the system expands and melts at the end of simulation. Common Neighbor Analysis (CNA) and structure factor of the system confirmed the melting state of the system as it reaches final temperature. © 2025 American Institute of Physics Inc.. All rights reserved.

Affiliations

Department of Physics, State University of Jakarta, Kampus A UNJ Jalan Rawamangun Muka, Rawamangun, Jakarta, Jakarta Timur, 13220, Indonesia; Department of Chemistry, State University of Jakarta, Kampus A UNJ Jalan Rawamangun Muka, Rawamangun, Jakarta, Jakarta Timur, 13220, Indonesia

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