Structure stability analysis of Nin(n = 2 - 22) using nature inspired algorithms: a performance study
by Prashant Singh Rana; Sandeep Kumar Jain; Mahua Bhattacharya; Anupam Shukla
International Journal of Advanced Intelligence Paradigms (IJAIP), Vol. 5, No. 1/2, 2013

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).

Online publication date: Thu, 20-Jun-2013

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