Structure stability analysis of Ninn = 2 - 22 using nature inspired algorithms: a performance study

  • Authors:

  • Prashant Singh Rana;Sandeep Kumar Jain;Mahua Bhattacharya;Anupam Shukla

  • Affiliations:

  • Department of Information and Communication Technology, ABV-Indian Institute of Information Technology and Management, Gwalior, MP, India;Department of Information and Communication Technology, ABV-Indian Institute of Information Technology and Management, Gwalior, MP, India;Department of Information and Communication Technology, ABV-Indian Institute of Information Technology and Management, Gwalior, MP, India;Department of Information and Communication Technology, ABV-Indian Institute of Information Technology and Management, Gwalior, MP, India

  • Venue:
  • International Journal of Advanced Intelligence Paradigms
  • Year:
  • 2013

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Abstract

Using nature inspired algorithms NIAs with plane-wave self-consistent field PWSCF, density functional theory DFT and pseudo-potentials, the minimisation of potential energy and relative stability for Nin clusters n = 2 - 22 were studied. The genetic algorithm GA, differential evaluation DE, particle swarm optimisation PSO and artificial bee colony ABC are used for global structural optimisations with space-fixed Cartesian coordinates. Clusters obtained from NIA search were further optimised by using first principals total energy calculations. We found that GA gives minimum energy for Nin n = 6, 11, 16, 21, DE gives minimum energy for Nin n = 2, 4, 7, 9, 15, 17, PSO gives minimum energy for Nin n = 3, 10, 12, 14, 18, 20 and ABC gives minimum energy for Nin n = 5, 8, 13, 19, 22.