Analysis of Temperature and Strain Rate Effect on Mechanical Properties of Pure Gold Using Molecular Dynamics
DOI:
https://doi.org/10.38032/scse.2025.3.115Keywords:
Molecular Dynamics, Strain Rates, Ultimate Tensile Strength, Young’s ModulusAbstract
Material’s mechanical properties are highly affected by the microstructural pattern of the materials, which is very critical for metals like pure gold, which is known for its exceptional ductility and conductivity at elevated temperatures and different strain rates. Understanding how temperature and strain rate affect the characteristics of the materials at the atomic level is highly important for applying this material in practical uses. Au (gold) has been studied for years because of its applications in different sectors like jewelry, aerospace, aviation, technology, electronics, etc. This research used classical molecular dynamics simulation to analyze the effects of temperatures and strain rates on the mechanical properties of the pure compound (Au). This pure element is very popular and useful because of its electrical conductivity, high corrosion resistance, and high mechanical properties. It has been observed that the highest strength was found at 15.293 GPa for pure gold at 400 K temperature at the highest strain rate (.025 ps-1) and at 200 K temperature, 14.34 GPa was the lowest strength was found for Au while having the lowest strain rate (.00625 ps-1). Here, pure gold shows ductile behavior in both high and low temperatures while having both high and low strain rates. The tensile property of pure gold (Au) is better at relatively higher temperatures than at lower temperatures along with the higher strain rate (.025 ps-1) rather than the lower strain rate (.00625 ps-1). This study demonstrated how temperature and strain rate influence tensile properties like elastic modulus and the ultimate strength of Au. The findings of this investigation might be helpful to understand the specific properties of this material in practical fields like electronics, mechanical, medical, and others.
Downloads
Downloads
Downloads
References
[1] Y. Huang, X. Duan, Y. Cui, L. J. Lauhon, K.-H. Kim, and C. M. Lieber, “Logic Gates and Computation from Assembled Nanowire Building Blocks,” Science, vol. 294, no. 5545, pp. 1313–1317, Nov. 2001.
[2] Y. Cui, Q. Wei, H. Park, and C. M. Lieber, “Nanowire Nanosensors for Highly Sensitive and Selective Detection of Biological and Chemical Species,” Science, vol. 293, no. 5533, pp. 1289–1292, Aug. 2001.
[3] Z. Fan, D. Wang, P.-C. Chang, W.-Y. Tseng, and J. G. Lu, “ZnO nanowire field-effect transistor and oxygen sensing property,” Applied Physics Letters, vol. 85, no. 24, pp. 5923–5925, 2004.
[4] M. Motoyama, N. P. Dasgupta, and F. B. Prinz, “Electrochemical deposition of metallic nanowires as a scanning probe tip,” Journal of The Electrochemical Society, vol. 156, no. 10, p. D431, 2009.
[5] C. A. Volkert and E. T. Lilleodden, “Size effects in the deformation of sub-micron Au columns,” Philosophical Magazine, vol. 86, no. 33–35, pp. 5567–5579, Nov. 2006.
[6] Y. Zhu et al., “Size effects on elasticity, yielding, and fracture of silver nanowires: In situ experiments,” Phys. Rev. B, vol. 85, no. 4, p. 045443, Jan. 2012.
[7] S. Lee et al., “Reversible cyclic deformation mechanism of gold nanowires by twinning–detwinning transition evidenced from in situ TEM,” Nature communications, vol. 5, no. 1, p. 3033, 2014.
[8] A. P. Thompson et al., “LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales,” Computer Physics Communications, vol. 271, p. 108171, Feb. 2022.
[9] S. M. A. A. Alvi, A. Faiyad, M. A. M. Munshi, M. Motalab, M. M. Islam, and S. Saha, “Cyclic and tensile deformations of Gold–Silver core shell systems using newly parameterized MEAM potential,” Mechanics of Materials, vol. 169, p. 104304, Jun. 2022.
[10] C. J. O’Brien, C. M. Barr, P. M. Price, K. Hattar, and S. M. Foiles, “Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals,” J Mater Sci, vol. 53, no. 4, pp. 2911–2927, Feb. 2018.
[11] Y.-Y. Zhang, Q.-X. Pei, Y.-W. Mai, and Y.-T. Gu, “Temperature and strain-rate dependent fracture strength of graphynes,” Journal of Physics D: Applied Physics, vol. 47, no. 42, p. 425301, 2014.
[12] A. J. Islam, M. S. Islam, N. Ferdous, J. Park, A. G. Bhuiyan, and A. Hashimoto, “Anisotropic mechanical behavior of two dimensional silicon carbide: effect of temperature and vacancy defects,” Materials Research Express, vol. 6, no. 12, p. 125073, 2019.
[13] A. Stukowski, “Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool,” Modelling and simulation in materials science and engineering, vol. 18, no. 1, p. 015012, 2009.
[14] M. R. Islam, J. Islam, R. Hasan, and M. Hasan, “Effect of alloying element content, temperature, and strain rate on the mechanical behavior of NbTiZrMoV high entropy alloy: A molecular dynamics study,” Materials Today Communications, vol. 40, p. 110071, 2024.
Published
Conference Proceedings Volume
Section
License
Copyright (c) 2025 Md. Ashikur Rahman, Md. Shahidul Islam, Avijit Das Pritom (Author)
This work is licensed under a Creative Commons Attribution 4.0 International License.
All the articles published by this journal are licensed under a Creative Commons Attribution 4.0 International License
