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 - <p style="text-align: justify;">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.</p>