Theoretical Study of Si K_β X-ray Fluorescence Spectrum of SiO_2-Na_2O Binary Slag by DV-Xα Molecular Orbital Calculation

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A new method has been developed to simulate Si <I>K</I><SUB>β</SUB> X-ray fluorescence spectra of SiO<SUB>2</SUB>–Na<SUB>2</SUB>O binary slags using the DV-Xα molecular orbital calculation. The composition of the slag has been incorporated for the first time in the calculation of the Si<SUB>3p</SUB> partial densitiy of states (PDOS). The calculated Si<SUB>3p</SUB> PDOS dealing with the Na<SUB>2</SUB>O content agreed well with the experimental Si <I>K</I><SUB>β</SUB> X-ray fluorescence spectra of the 50 mol%SiO<SUB>2</SUB>-50 mol%Na<SUB>2</SUB>O and 33.3 mol%SiO<SUB>2</SUB>-66.7 mol%Na<SUB>2</SUB>O binary slags. The present method was found to provide a very useful means of clarifying the change in shape of the X-ray fluorescence spectrum of the slag with the metal oxide content, and also of understanding the concept of basicity at the same time.

収録刊行物

  • Materials transactions, JIM  

    Materials transactions, JIM 38(8), 724-730, 1997-08 

    The Japan Institute of Metals

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各種コード

  • NII論文ID(NAID)
    10002453474
  • NII書誌ID(NCID)
    AA10699969
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    09161821
  • NDL 記事登録ID
    4295849
  • NDL 雑誌分類
    ZP41(科学技術--金属工学・鉱山工学)
  • NDL 請求記号
    Z53-J286
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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