Molecular dynamics study of mechanical properties of Zn – xMg alloy for metal biomaterial.

Autor: Midori, Sofis, Hikmawati, Dyah, Supardi, Adri, Trilaksana, Herri, Harun, Sulaiman Wadi, Shearer, Cameron, Yasin, Moh
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Zdroj: AIP Conference Proceedings; 2020, Vol. 2314 Issue 1, p1-8, 8p
Abstrakt: The goal of this research is to know the mechanical properties of Zn – xMg alloy through the molecular dynamics method with LAMMPS software. The potential used in this computational calculation are Lennard – Jones, Morse hybrid LJ, and Stillinger – Weber hybrid LJ. Structure properties of Zn – xMg before temperature treatment is HCP with space group P63/mmc. Mechanical properties are explained by bulk modulus and elastic constant. Temperature treatment will be done before mechanical properties simulation by doing heating – cooling on the material structure that has been made before. The study of bulk modulus with a value of that appropriate to experiment is 67,492 GPa with error percentage 5,17349% that simulated by Lennard – Jones potential. Elastic constants with a value of that appropriate for C11 dan C12 is 26,198 GPa and 23,503 GPa with error percentage 14,49729% (Zn – 1%Mg) and 37,02932% (Zn – 5%Mg) which simulated by Morse potential, for C44 is 8,2219 GPa with error percentage 0,266362% (Zn – 3%Mg) which simulated by Stillinger – Weber potential. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index