Molecular Dynamics Studies of The Effects of Copper on The Mechanical Properties of Aluminum

Authors

  • Haris Rudianto Department of Mechanical Engineering, Gunadarma University
  • Deni Haryadi Department of Mechanical Engineering, Gunadarma University

DOI:

https://doi.org/10.59097/jasae.v2i1.26

Keywords:

Molecular Dynamics, Copper, Aluminum, Mechanical Properties, Materials Simulation

Abstract

In this research, molecular dynamics (MD) simulations were performed to model the effects of copper content on aluminum properties. Copper has a low solubility in aluminum. Therefore, the main purpose of this research is to study the influence of copper content (Cu) on the mechanical properties of aluminum. Modeling and simulation of nano indentation and uniaxial tension tests were carried out to observe the mechanical properties under the conditions of copper content starting from 0.5 up to 10wt% at 300oK. The interactions between the atoms of aluminum and copper were modeled using Embedded Atom Method (EAM) potentials. The calculation showed that a higher amount of copper increased the tensile strength of aluminum, and in this research,10wt% copper gave the highest tensile strength. But when it comes to the nano indentation test to determine hardness value, it showed that 1wt% copper gave the highest hardness, it assumes that this is related to localization of nano indentation test position optimum formation of intermetallic aluminum-copper, Al2Cu on a certain area.

References

Davis, Joseph R. Aluminum and aluminum alloys. ASM international, 1993.

Nasserrafi, Rahbar, et al, “Aluminum-copper alloys with improved strength,” U.S. Patent No. 10,266,933. 23 Apr. 2019.

LA de Souza Baptista et al, “Experimental study of the evolution of tertiary dendritic arms and microsegregation in directionally solidified Al–Si–Cu alloys castings,” J. of Mater. Rsch and Tech., 2019;8:1515-1521.

Tiwary, C. S., et al, “Length-scale dependent mechanical properties of Al-Cu eutectic alloy: molecular dynamics based model and its experimental verification,” J. of App. Phy., 2014;115.

Li, Mengying., Lei, Xiao-Wen, “Molecular dynamics studies on mechanical properties and deformation mechanism of graphene/aluminum composites,” Computational Materials Science, 2022;211.

Li, Jia-Wei., Guo, Jian-Gang., Zhou, Li-Jun, “Molecular dynamics studies on mechanical properties of graphene/nanotwinned aluminum matrix composites,” Physica E:Low-dimensional Systems and Nanostructures, 2023;147.

Srivastava, A. K., Mokhaligam, A., Singh, A., Kumar, D, “Molecular dynamics study of mechanical properties of carbon nanotube reinforced aluminum composites,” AIP Conference Proceeding, 2016;1728.

Li, Chang, et al, “Molecular dynamics simulation of diffusion bonding of Al–Cu interface,” Modeling and Simulation in Materials Science and Engineering, 2014;22.

Krasnikov, Vasiliy S., Alexander E. Mayer, and Viktor V. Pogorelko, “Prediction of the shear strength of aluminum with θ phase inclusions based on precipitate statistics, dislocation and molecular dynamics,” International Journal of Plasticity, 2020;128.

Mahata, Avik, and Mohsen Asle Zaeem, “Effects of solidification defects on nanoscale mechanical properties of rapid directionally solidified Al-Cu Alloy: A large scale molecular dynamics study,” Journal of Crystal Growth, 2019;527.

Jang, Heung Woon, Sang Eon Lee, and Jung-Wuk Hong, “Molecular dynamics evaluation of the effects of zinc on the mechanical properties of aluminum alloys,” Computational Materials Science, 2019;159:66-72.

Quoc, T. T., Trong, D. N., Talu, S., “Study on the influence of factors on the structure and mechanical properties of amorphous aluminum by molecularn dynamics method,” Advances in Materials Science and Engineering, 2021;1-10.

Rassoulinejad-Mousavi, Seyed Moein, Yijin Mao, and Yuwen Zhang. "Evaluation of copper, aluminum, and nickel interatomic potentials on predicting the elastic properties." Journal of Applied Physics, 2019;119.

Fujita, Takashi, Zenji Horita, and Terence G. Langdon, “Using grain boundary engineering to evaluate the diffusion characteristics in ultrafine-grained Al–Mg and Al–Zn alloys,” Materials Science and Engineering: A, 2004;371:241-250.

Le, Vinh V., and Giang T. Nguyen, “Molecular dynamics study of mechanical behavior in silica glass under uniaxial deformation,” Computational Materials Science, 2019;159:385-396.

Downloads

Published

2024-03-27

How to Cite

Rudianto, H., & Haryadi, D. (2024). Molecular Dynamics Studies of The Effects of Copper on The Mechanical Properties of Aluminum. Journal of Applied Science and Advanced Engineering, 2(1), 19–22. https://doi.org/10.59097/jasae.v2i1.26