Size effect on the frozen structures of Co clusters

作者：Li Guojian; Liu Tie; Wang Qiang^*; Zhang Yingjie; Cao Yongze; Du Jiaojiao; He Jicheng

来源：Materials Letters, 2012, 69: 63-65.

DOI：10.1016/j.matlet.2011.11.059

• Nanoparticles
• Simulation and modeling
• Freezing
• Size effect

This paper studies the freezing of Co clusters with diameters ranging from 2.52 to 4.62 nm by using molecular dynamics simulation with an embedded atom method. It was found that the frozen structures are closely related to cluster sizes. When the cluster size is small (<= 2.94 nm), an icosahedron is formed. When the cluster size is large (>= 3.79 nm), an hcp bulk-like structure is formed. If the cluster size is 3.37 nm, a decahedron is formed. It was also found that the frozen structure is strongly dependent on the energy of geometric shapes at given sizes. The size-dependent frozen structures of clusters provide a new method for fabricating novel materials with nano microstructures.

• 出版日期2012-2-15
• 单位东北大学