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

By molecular dynamics with the Gupta potential the structures and energies are calculated of complete-shell silver clusters AgN (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).