Acta Phys. -Chim. Sin. ›› 1993, Vol. 9 ›› Issue (05): 627-629.doi: 10.3866/PKU.WHXB19930511

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Computerized Simulation of the Structure of NaAlO2 Melts

Xu Chi; Li Ming; Chen Nian-Yi   

  1. Shanghai Institute of Metallurgy, Academia Sinica, Shanghai 200050
  • Received:1992-04-13 Revised:1992-06-27 Published:1993-10-15
  • Contact: Xu Chi

Abstract: The structure of NaAlO_2 melt has been studied by computer simulation using Monte Carlo method. The RDF and local structure are obtained by calculation. It has been found that the NaAlO_2 melt consists of ionic clusters formed by sharing the corners of AlO_4 tetrahedra, sodium ions and xNa~+·yO~(2-) clusters.

Key words: NaAlO2 melts, Computerized simulation, Monte Carlo method