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Correlation between local clusters and structure of Al_(71) Cu_(29) melt

Correlation between local clusters and structure of Al_(71) Cu_(29) melt
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摘要 The structures of Al 14 Cu 12 clusters were optimized by B3LYP method and the six geometries ground states were obtained. Al 71 Cu 29 alloy melt has been investigated using X ray diffractometry at 700 ℃. The experimental data were compared with calculated results to find the relation between the structures of Al Cu clusters and melt structure. It is shown that there exists a strong interaction between Al and Cu atoms. The bond length in some geometries is very close to the experimental atomic distance. Such optimized geometries have close correlation with the liquid structure of Al Cu alloy. The structures of Al 14 Cu 12 clusters were optimized by B3LYP method and the six geometries ground states were obtained. Al 71 Cu 29 alloy melt has been investigated using X ray diffractometry at 700 ℃. The experimental data were compared with calculated results to find the relation between the structures of Al Cu clusters and melt structure. It is shown that there exists a strong interaction between Al and Cu atoms. The bond length in some geometries is very close to the experimental atomic distance. Such optimized geometries have close correlation with the liquid structure of Al Cu alloy.
出处 《中国有色金属学会会刊:英文版》 CSCD 2003年第2期344-347,共4页 Transactions of Nonferrous Metals Society of China
基金 Project( 5 0 0 710 2 8)supportedbytheNationalNaturalScienceFoundationofChina Project(Z2 0 0 1F0 2 )supportedbyShan dongNaturalScienceFoundationofChina
关键词 铝合金 熔炼 结构 X射线衍射 组织 cluster ground states Al Cu alloy X ray diffractometry
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  • 1刘让苏,Phys Rev B,1992年,46卷,12001页
  • 2刘让苏,Phys Rev B,1992年,45卷,451页
  • 3Qi D W,Phys Rev B,1991年,44卷,884页
  • 4Li D H,J Phys F,1986年,18卷,309页
  • 5Wang S,J Phys F,1980年,10卷,2717页
  • 6刘让苏,科学通报,1995年,40卷,979页
  • 7刘让苏,科学通报,1993年,38卷,409页
  • 8Chen Z N,Acta Cryst C,1995年,51卷,1809页
  • 9Chen Z N,Inorg Chem,1995年,34卷,2255页
  • 10陈瑞芝,化学学报,1995年,53卷,595页

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