MAGIC NUMBERS OF NICKEL CLUSTERS STUDIED WITHIN MAEAM AND COMPARED WITH EXPERIMENTS

摘要：

The empirical MAEAM is used to study the multishell and subshell structures and stabilities of icosahedral clusters of total nickel atoms between 13 and 10179 with Bergman or Mackay covering mode. Optimization shell-by-shell calculations on the basis of the lowest binding energies are performed to determine the dimensions of icosahedral nickel clusters up to 15 shells. The relaxation of the two types of shell structures within molecular dynamics up to their respective closest local energy minima shows the extreme stability of Mackay configurations. The growth of Mackay icosahedra from 309 to 561 atoms assures us that our result is in reasonable agreement with mass spectroscopical experiments.

关键词： Quasicrystals atomic clusters MAEAM

作者: ZHI ZHANG WANGYU HU

作者单位: Department of Applied Physics, Hunan University, 410082, Changsha, Hunan, P.R. China Basic Course De Department of Applied Physics, Hunan University, 410082, Changsha, Hunan, P.R. China

会议类型: 国际会议

会议名称: The Joint Conference of ICCP6 and CCP2003(第6届国际计算伦理会议)

会议地点: 北京

会议语种:英文

页码: 170-173

在线出版日期: 2004-05-23（万方平台首次上网日期，不代表论文的发表时间）