Structural Properties of $Rh_n (n=2$∼$100)$ Clusters by Using Gupta Potential with the Simulation of Quenching Method
Year: 2013
Author: Mailitan Kailaimu, Chun-Li Li, Hai-Ming Duan
Journal of Atomic and Molecular Sciences, Vol. 4 (2013), Iss. 3 : pp. 235–244
Abstract
The ground-state geometries and energies of $Rh_n (n=2$∼$100)$ clusters are investigated by using Gupta potential combined with the molecular dynamics simulated quenching method and the genetic algorithm. Our results show that: As comparing the lowest energy structure obtained from the simulated quenching method which can be regarded as the ground-state structure, almost all these ground-state geometries can be found (except $Rh_{50})$ by using the genetic algorithm for clusters containing 60 or less atoms, but the efficiency of capturing the ground-state geometry decreases obviously with increasing the cluster size. The effective temperature range for obtaining the ground-state energy (geometry) is obtained by systematically analyzing the energy distributions of the simulated quenching structures, and the correlation between the quenching method of finding the ground-state and the cluster size is also investigated further.
You do not have full access to this article.
Already a Subscriber? Sign in as an individual or via your institution
Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.102312.112412a
Journal of Atomic and Molecular Sciences, Vol. 4 (2013), Iss. 3 : pp. 235–244
Published online: 2013-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 10
Keywords: Gupta potential cluster ground-state molecular dynamics simulated quenching.