Putative global minimum structures of Morse clusters as a function of the range of the potential: 161 < or = N < or = 240.
We have located the structures of putative global minima for Morse clusters as a function of the range of the potential and the cluster size (with atom number 161 < or = N < or = 240) using the dynamic lattice searching method. Our work indicates that with the range of the potential decreased, the structure of global minimum changes from disordered to icosahedral to decahedral to close-packed, and meanwhile the size effect on structures becomes weaker. At the middle range of potential, the icosahedral structures with Mackay overlayers are more predominant than those with anti-Mackay overlayers. The conformational analysis of M(200) at different rho(0) is given to get the funnel information of the energy landscape. The energy sequences of global minima at different rho(0) are studied to find out the magic numbers, and the zero temperature "phase diagram" is given for an overall view of how the global minima depend upon N and rho(0).
Feng
Yan
Y
Hefei National Laboratory for Physical Sciences at the Microscale, and School of Life Sciences, University of Science and Technology of China (USTC), Hefei, Anhui, 230027, China. clj@ustc.edu
Cheng
Longjiu
L
Liu
Haiyan
H