Volume 4, Issue 3
Structural Properties of $Rh_n (n=2$∼$100)$ Clusters by Using Gupta Potential with the Simulation of Quenching Method

Mailitan Kailaimu, Chun-Li Li & Hai-Ming Duan

J. At. Mol. Sci., 4 (2013), pp. 235-244.

Published online: 2013-04

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  • 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.

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COPYRIGHT: © Global Science Press

  • Email address

dhm@xju.edu.cn (Hai-Ming Duan)

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@Article{JAMS-4-235, author = {Kailaimu , MailitanLi , Chun-Li and Duan , Hai-Ming}, title = {Structural Properties of $Rh_n (n=2$∼$100)$ Clusters by Using Gupta Potential with the Simulation of Quenching Method}, journal = {Journal of Atomic and Molecular Sciences}, year = {2013}, volume = {4}, number = {3}, pages = {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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.102312.112412a}, url = {http://global-sci.org/intro/article_detail/jams/8255.html} }
TY - JOUR T1 - Structural Properties of $Rh_n (n=2$∼$100)$ Clusters by Using Gupta Potential with the Simulation of Quenching Method AU - Kailaimu , Mailitan AU - Li , Chun-Li AU - Duan , Hai-Ming JO - Journal of Atomic and Molecular Sciences VL - 3 SP - 235 EP - 244 PY - 2013 DA - 2013/04 SN - 4 DO - http://doi.org/10.4208/jams.102312.112412a UR - https://global-sci.org/intro/article_detail/jams/8255.html KW - Gupta potential, cluster, ground-state, molecular dynamics, simulated quenching. AB -

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.

Kailaimu , MailitanLi , Chun-Li and Duan , Hai-Ming. (2013). Structural Properties of $Rh_n (n=2$∼$100)$ Clusters by Using Gupta Potential with the Simulation of Quenching Method. Journal of Atomic and Molecular Sciences. 4 (3). 235-244. doi:10.4208/jams.102312.112412a
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