Article: Structure stability analysis of Nin(n = 2 - 22) using nature inspired algorithms: a performance study Journal: International Journal of Advanced Intelligence Paradigms (IJAIP) 2013 Vol.5 No.1/2 pp.16 - 30 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). Inderscience Publishers - linking academia, business and industry through research

Title: Structure stability analysis of Ni_n(n = 2 - 22) using nature inspired algorithms: a performance study

Authors: Prashant Singh Rana; Sandeep Kumar Jain; Mahua Bhattacharya; Anupam Shukla

Addresses: 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

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 Ni_n 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 Ni_n (n = 6, 11, 16, 21), DE gives minimum energy for Nin (n = 2, 4, 7, 9, 15, 17), PSO gives minimum energy for Ni_n (n = 3, 10, 12, 14, 18, 20) and ABC gives minimum energy for Ni_n (n = 5, 8, 13, 19, 22).

Keywords: energy minimisation; structure stability; genetic algorithms; GAs; particle swarm optimisation; PSO; differential evaluation; artificial bee colony; ABC; quantum espresso; plane-wave self-consistent field; density functional theory; DFT pseudo-potentials; nickel clusters.

DOI: 10.1504/IJAIP.2013.054669

International Journal of Advanced Intelligence Paradigms, 2013 Vol.5 No.1/2, pp.16 - 30

Received: 20 Sep 2012
Accepted: 16 Nov 2012
Published online: 30 Jul 2014 *

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Title: Structure stability analysis of Nin(n = 2 - 22) using nature inspired algorithms: a performance study

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Title: Structure stability analysis of Ni_n(n = 2 - 22) using nature inspired algorithms: a performance study