TY - GEN
T1 - Molecular dynamics study of mechanical properties of Zn-xMg alloy for metal biomaterial
AU - Midori, Sofis
AU - Hikmawati, Dyah
AU - Supardi, Adri
N1 - Publisher Copyright:
© 2020 Author(s).
PY - 2020/12/9
Y1 - 2020/12/9
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85097975865&partnerID=8YFLogxK
U2 - 10.1063/5.0036372
DO - 10.1063/5.0036372
M3 - Conference contribution
AN - SCOPUS:85097975865
T3 - AIP Conference Proceedings
BT - 2nd International Conference on Physical Instrumentation and Advanced Materials 2019
A2 - Trilaksana, Herri
A2 - Harun, Sulaiman Wadi
A2 - Shearer, Cameron
A2 - Yasin, Moh
PB - American Institute of Physics Inc.
T2 - 2nd International Conference on Physical Instrumentation and Advanced Materials, ICPIAM 2019
Y2 - 22 October 2019
ER -