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The effect of interatomic potentials on the molecular dynamics simulation of nanometric machining

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Abstract

One of the major tasks in a molecular dynamics (MD) simulation is the selection of adequate potential functions, from which forces are derived. If the potentials do not model the behaviour of the atoms correctly, the results produced from the simulation would be useless. Three popular potentials, namely, Lennard-Jones (LJ), Morse, and embedded-atom method (EAM) potentials, were employed to model copper workpiece and diamond tool in nanometric machining. From the simulation results and further analysis, the EAM potential was found to be the most suitable of the three potentials. This is because it best describes the metallic bonding of the copper atoms; it demonstrated the lowest cutting force variation, and the potential energy is most stable for the EAM.

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Authors and Affiliations

  1. Centre for Precision Technologies, University of Huddersfield, Queensgate, Huddersfield, HD1 3DH, UK

    Akinjide Oluwajobi & Xun Chen

Authors
  1. Akinjide Oluwajobi
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  2. Xun Chen
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Correspondence to Akinjide Oluwajobi.

Additional information

Akinjide Oluwajobi received the B. Sc. degree in engineering physics from Obafemi Awolowo University, Nigeria, M. Sc. degree in mechanical engineering from University of Ibadan, Nigeria, the MBA (production and operations management) from Obafemi Awolowo University, and the M. Sc. degree in complex systems from University of Pavia, Italy. He is currently a Ph. D. candidate at the Centre for Precision Technologies, School of Computing and Engineering, University of Huddersfield, UK, where he specialises in ultra precision engineering and nanotechnology. He has been a lecturer in mechanical engineering at Obafemi Awolowo University for over ten years.

His research interests include ultra precision engineering and nanotechnology, CAD/CAM, modelling and simulation of engineering systems, emerging technologies viz, fuzzy logic, neural networks, and evolutionary algorithms.

Xun Chen received the B.Eng. degree from Fuzhou University. He received the M. Sc. degree from Zhejiang University, PRC, and the Ph.D. degree from Liverpool John Moores University. He was a visiting professor at Fuzhou University from 2001 to 2008. He is a reader in precision engineering at the University of Huddersfield, UK. He specialises in advanced manufacturing technology particularly in the high efficiency precision grinding. He is a founding member of the International Committee of Abrasive Technology. Before his employment at Huddersfield, he was an academician at the University of Nottingham, UK, the University of Dundee, UK, and Fuzhou University, PRC, and a research fellow, a Royal Society Royal Fellow at Liverpool John Moores University, UK.

His research interests include advanced manufacturing technology, advanced abrasive machining technology, intelligent process monitoring and control, knowledge support systems, and design for manufacturing (fixturing).

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Oluwajobi, A., Chen, X. The effect of interatomic potentials on the molecular dynamics simulation of nanometric machining. Int. J. Autom. Comput. 8, 326–332 (2011). https://doi.org/10.1007/s11633-011-0588-y

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  • DOI: https://doi.org/10.1007/s11633-011-0588-y

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