Citation:
Cong Hong-Ri, Bian Xiu-Fang, Li Hui, Wang Li. Mediumrange Order Structure in Liquid Al80Fe20Alloy[J]. Acta Physico-Chimica Sinica,
;2002, 18(01): 39-44.
doi:
10.3866/PKU.WHXB20020109
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The microstructure of liquid Al80Fe20 alloy is studied by molecular dynamics simulation, combined with experiment of Xray diffraction. It is found that there exists an obvious prepeak in the small domain(Q=17.5 nm-1)of the structure factor, which is considered as indicative of the existence of mediumrange order(MRO) in the liquid. Furthermore, the results of MD simulation agree also well with those of experiment. The chemical shortrange order(CSRO) α and BhatisThornton(BT) partial structure factors show that there exists very strong CSRO in the liquid, which suggests that the CSRO result in the formation of MRO. The maximum and the minimum at Q=17.5 nm-1 in SFe-Fe(Q) and SAl-Fe(Q) of FaberZiman(FZ) partial structure factors also indicate the existence of superstructure in the liquid. We also calculate the coordination numbers of the system and give a structural model representing MRO clusters.
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