For the first time, a molecular dynamics simulation study of 50000 atoms has been performed for the transition mechanisms of the microstructure configurations of liquid metal Al during forming processes of amorphous state by rapid cooling. Not only have various bond types been researched, but also icosahedra, defective icosahedra and Frank Kasper polyhedra cluster structures were discussed. A very clear picture of how the metal atoms gather to form clusters and how the clusters evolve further has been obtained. Some discussion corresponding to the microscopic mechanisms of the simulation results was also given. These will give an important enlightenment to understand the forming mechanisms and their microscopic processes of amorphous structures. [
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