Mechanical Properties of Nickel, Palladium, and Platinum Nanowires: A Molecular Dynamics Study
DOI:
10.29303/jppipa.v10i12.9667Published:
2024-12-31Downloads
Abstract
Transition metal group 10 nanowires exhibit exceptional mechanical properties, particularly those with FCC structures, making them promising candidates for electromechanical devices. This study used classical MD simulations with EAM potentials to explore the mechanical behavior of nickel, palladium, and platinum nanowires with varying diameters. Our findings reveal a strong correlation between nanowire diameter and mechanical properties. Increasing diameter reduces surface effects, leading to higher tensile strength. Deformation mechanisms are complex, involving phase transformations such as FCC to HCP and BCC. These results will contribute to the fundamental understanding of nanoscale mechanics and pave the way for the design of advanced nanodevices
Keywords:
Mechanical Properties Molecular Dynamics NanowireReferences
Aish, M., & Starostenkov, M. (2016). Mechanical properties of metallic nanowires using tight-binding model. AIP Conference Proceedings, 1698. American Institute of Physics Inc. https://doi.org/10.1063/1.4937842 DOI: https://doi.org/10.1063/1.4937842
Benelmekki, M. (2019). Nanomaterials. In The original product of nanotechnology. Morgan & Claypool Publishers. https://doi.org/10.1088/2053-2571/ab126d DOI: https://doi.org/10.1088/2053-2571/ab126d
Budrovic, Z., Van Swygenhoven, H., Derlet, P. M., Van Petegem, S., & Schmitt, B. (2004). Plastic Deformation with Reversible Peak Broadening in Nanocrystalline Nickel. Science, 304(5668), 273–276. https://doi.org/10.1126/science.1095071 DOI: https://doi.org/10.1126/science.1095071
Cao, G., & Wang, Y. (2011). Nanostructures and Nanomaterials. In World Scientific Series in Nanoscience and Nanotechnology. WORLD SCIENTIFIC. https://doi.org/doi:10.1142/7885 DOI: https://doi.org/10.1142/7885
Daw, M. S., & Baskes, M. I. (1984). Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. Physical Review B, 29, 6443–6453. DOI: https://doi.org/10.1103/PhysRevB.29.6443
Daw, M. S., Foiles, S. M., & Baskes, M. I. (1993). The embedded-atom method: a review of theory and applications. Materials Science Reports, 9(7), 251–310. https://doi.org/https://doi.org/10.1016/0920-2307(93)90001-U DOI: https://doi.org/10.1016/0920-2307(93)90001-U
Greenwood, N. N., & Earnshaw, A. (1997). 27 - Nickel, Palladium and Platinum. In N. N. GREENWOOD & A. EARNSHAW (Eds.), Chemistry of the Elements (Second Edition) (pp. 1144–1172). Oxford: Butterworth-Heinemann. https://doi.org/https://doi.org/10.1016/B978-0-7506-3365-9.50033-X DOI: https://doi.org/10.1016/B978-0-7506-3365-9.50033-X
Hasmy, A., & Medina, E. (2002). Thickness Induced Structural Transition in Suspended fcc Metal Nanofilms. Physical Review Letters, 88(9), 96103. https://doi.org/10.1103/PhysRevLett.88.096103 DOI: https://doi.org/10.1103/PhysRevLett.88.096103
Lao, J., & Moldovan, D. (2008). Surface stress induced structural transformations and pseudoelastic effects in palladium nanowires. Applied Physics Letters, 93(9), 093108. https://doi.org/10.1063/1.2976434 DOI: https://doi.org/10.1063/1.2976434
Plimpton, S. (1995). Fast Parallel Algorithms for Short-Range Molecular Dynamics. Journal of Computational Physics, 117(1), 1–19. https://doi.org/https://doi.org/10.1006/jcph.1995.1039 DOI: https://doi.org/10.1006/jcph.1995.1039
Seo, J.-H., Park, H. S., Yoo, Y., Seong, T.-Y., Li, J., Ahn, J.-P., … Choi, I.-S. (2013). Origin of Size Dependency in Coherent-Twin-Propagation-Mediated Tensile Deformation of Noble Metal Nanowires. Nano Letters, 13(11), 5112–5116. https://doi.org/10.1021/nl402282n DOI: https://doi.org/10.1021/nl402282n
Stukowski, A. (2009). Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool. Modelling and Simulation in Materials Science and Engineering, 18(1), 15012. https://doi.org/10.1088/0965-0393/18/1/015012 DOI: https://doi.org/10.1088/0965-0393/18/1/015012
Thompson, A. P., Aktulga, H. M., Berger, R., Bolintineanu, D. S., Brown, W. M., Crozier, P. S., … Plimpton, S. J. (2022). LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Computer Physics Communications, 271. https://doi.org/10.1016/j.cpc.2021.108171 DOI: https://doi.org/10.1016/j.cpc.2021.108171
Wang, S., Shan, Z., & Huang, H. (2017). The Mechanical Properties of Nanowires. Advanced Science, 4(4), 1600332. https://doi.org/https://doi.org/10.1002/advs.201600332 DOI: https://doi.org/10.1002/advs.201600332
Wen, Y. H., Huang, R., Zhu, Z. Z., & Wang, Q. (2012). Mechanical properties of platinum nanowires: An atomistic investigation on single-crystalline and twinned structures. Computational Materials Science, 55, 205–210. https://doi.org/10.1016/j.commatsci.2011.11.020
Wen, Y. H., Zhu, Z. Z., Shao, G. F., & Zhu, R. Z. (2005). The uniaxial tensile deformation of Ni nanowire: Atomic-scale computer simulations. Physica E: Low-Dimensional Systems and Nanostructures, 27(1–2), 113–120. https://doi.org/10.1016/j.physe.2004.10.009 DOI: https://doi.org/10.1016/j.physe.2004.10.009
Wen, Y.-H., Huang, R., Zhu, Z.-Z., & Wang, Q. (2012). Mechanical properties of platinum nanowires: An atomistic investigation on single-crystalline and twinned structures. Computational Materials Science, 55, 205–210. https://doi.org/https://doi.org/10.1016/j.commatsci.2011.11.020 DOI: https://doi.org/10.1016/j.commatsci.2011.11.020
Wu, H. A. (2006). Molecular dynamics study on mechanics of metal nanowire. Mechanics Research Communications, 33(1), 9–16. https://doi.org/https://doi.org/10.1016/j.mechrescom.2005.05.012 DOI: https://doi.org/10.1016/j.mechrescom.2005.05.012
License
Copyright (c) 2024 Mauludi Ariesto Pamungkas, Farid Surya Farista, Risalatul Mafazah, Achmad Hidayat
This work is licensed under a Creative Commons Attribution 4.0 International License.
Authors who publish with Jurnal Penelitian Pendidikan IPA, agree to the following terms:
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution 4.0 International License (CC-BY License). This license allows authors to use all articles, data sets, graphics, and appendices in data mining applications, search engines, web sites, blogs, and other platforms by providing an appropriate reference. The journal allows the author(s) to hold the copyright without restrictions and will retain publishing rights without restrictions.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgment of its initial publication in Jurnal Penelitian Pendidikan IPA.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access).
