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

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Abstract

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.

Original languageEnglish
Title of host publication2nd International Conference on Physical Instrumentation and Advanced Materials 2019
EditorsHerri Trilaksana, Sulaiman Wadi Harun, Cameron Shearer, Moh Yasin
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735440562
DOIs
Publication statusPublished - 9 Dec 2020
Event2nd International Conference on Physical Instrumentation and Advanced Materials, ICPIAM 2019 - Surabaya, Indonesia
Duration: 22 Oct 2019 → …

Publication series

NameAIP Conference Proceedings
Volume2314
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference2nd International Conference on Physical Instrumentation and Advanced Materials, ICPIAM 2019
Country/TerritoryIndonesia
CitySurabaya
Period22/10/19 → …

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