科研之友
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摘要
Structural changes upon freezing of a molten Cu-555 cluster have been studied using two different cooling ways by employing molecular-dynamics simulation. The simulation results show that the final structures and local structural change processes of the molten Cu-555 present different patterns in two cooling ways. When the Cu-555 cluster is quenched to T=400K, the final structure is based on an icosahedral geometry. In the second cooling way from T=1100 to 400 K at a decrement of 100 K, the final crystallization structure is mainly based on a faced center cubic (FCC) structure.
