Acta Phys. -Chim. Sin. ›› 2002, Vol. 18 ›› Issue (01): 39-44.doi: 10.3866/PKU.WHXB20020109

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Mediumrange Order Structure in Liquid Al80Fe20Alloy

Cong Hong-Ri;Bian Xiu-Fang;Li Hui;Wang Li   

  1. Key Laboratory of Liquid Structure and Heredity of Materials Ministry of Education, Shandong University, Jinan 250061;State Key Laboratory of Microstructure of Solid, Nanjing University, Nanjing 210093
  • Received:2001-06-21 Revised:2001-09-21 Published:2002-01-15
  • Contact: Cong Hong-Ri E-mail:hongri_c@263.net

Abstract: The microstructure of liquid Al80Fe20 alloy is studied by molecular dynamics simulation, combined with experiment of Xray 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 mediumrange order(MRO) in the liquid. Furthermore, the results of MD simulation agree also well with those of experiment. The chemical shortrange order(CSRO) α and BhatisThornton(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 FaberZiman(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.

Key words: Al80Fe20 liquid alloy, Mediumrange order, MD simulation, Structure factor, Prepeak