H.B. Maisun, E. Latifah, Y.A. Laksono
Mg-Ca alloys are widely used in industry as lightweight structural materials with good mechanical strength and biocompatible implant materials with excellent osteointegration characteristics in biomedical applications. Understanding the melting point of Mg-Ca alloys is crucial for manufacturing implants with optimal microstructure and mechanical properties. Controlling the crystal structure can enhance biocompatibility, mechanical properties, and corrosion resistance. Investigating both crystal structure and melting point ensures long-term integrity for bone healing. This study used parallel molecular dynamics simulations with LAMMPS and OVITO to examine the melting point and crystal structure of Mg-Ca alloys. The LAMMPS code with the Modified Embedded Atomic Method (MEAM) potential was employed to model the interaction between Mg and Ca atoms. Simulations varied alloy composition and cube dimension size to assess their impact on the melting point. Results indicated that adding calcium lowers the alloy's melting point. Structural analysis with OVITO revealed significant changes during melting, including forming non-standard crystal structures alongside the HCP (Hexagonal Close-Packed) phase for Mg and FCC (Face-Centered Cubic) phase for Ca. This study enhances understanding of Mg-Ca alloys' thermal and structural properties, aiding the development of bone implants and new materials through advanced simulations. © 2024 Institute of Physics Publishing. All rights reserved.
Physics Department, Universitas Negeri Malang, Malang, Indonesia