Molecular dynamics on silver cluster structures along the i_osahedral noncrystalline and the cuboctahedral c.c.p. growth sequence

摘要

By molecular dynamics with the Gupta potential the structures and energies are calculated of complete_shell silver clusters Ag_N (N = 13-6525) for the icosahedral noncrystalline structure and the cuboctahedral c.c.p. structure. The results are such that clusters for N≤ 1415 (3.6 nm in diameter) favor the icosahedral noncrystalline structure and those for N ≥2057 (4.1 nm) favor the cuboctahedral c.c.p. structure. The crossover of these structures is estimated to take place at N = 1590 (3.7 nm).