Structure of silver clusters with magic numbers of atoms by data of molecular dynamics
Tóm tắt
The behavior of silver clusters (cubic octahedron habit) with magic numbers of atoms N = 13, 55, 146, 309, 561, 923, 1415, and 2057 in the 0–1300 K temperature range is studied for the embeded atom model by the molecular dynamics method. The structural method for the analysis of the dynamics of local configurations of atoms based on the construction of angular characteristics of simplexes of the Delone partition of a cluster is proposed. Structural transitions of clusters with a cubic octahedron habit to the stable clusters with an icosahedron habit are revealed. Motions of atoms in clusters with an icosahedron habit are transformed into the stationary vibration mode. Middle positions of atoms in clusters tend to form shells with a regular structure. At N = 561, there are 15 such shells. The cluster with N = 561 at 650 K is characterized by a reduced density close to that of silver melt.
Tài liệu tham khảo
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