摘要

The molecular-dynamics (MD) simulation on liquid Al80Fe20 alloy is carried out to investigate the medium-range order (MRO) structure at the cooling rate of 2.6 x 10(13) K/s. The pre-peak in the structure factor S(Q) as the signature of MRO is observed in the experiment, which is in good agreement with our simulation in the equilibrium liquid state (1450 K). With temperature decreasing, the intensity of pre-peak gradually increases, and the second peak begins to split into two peaks below 700 K. It is shown from the analysis of S(Q) that MRO structure will attribute to the icosahedral local order the in the system. The Ashcroft-Langreth (A-L) structure factor exhibits the preference of heteroatomic interaction. It is found from the Bhatis-Thornton (B-T) structure factors that the pre-peaks in total structure factors at different temperatures originates from the chemical ordering in the system.