Vibrational Contribution on Nucleation Free Energy of Cu Precipitates in Fe-Cu System

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The thermal vibrational effects on the nucleation free energy of the bcc-Cu precipitates in the Fe-Cu system have been explored. Thermal expansion coefficients of bcc-Fe have been correctly predicted by the quasi-harmonic approximation, using the phonon dispersions calculated on the basis of the density functional theory. The Einstein model with a temperature-dependent bulk modulus shows free energy values almost identical to the quasi-harmonic predictions. The vibrational contribution obtained from the Einstein model is reduced to 1.6 × 10<SUP>−21</SUP> J (10 meV), which is almost negligible for the free energy change of cluster nucleation.

収録刊行物

  • Materials transactions

    Materials transactions 45(5), 1473-1477, 2004-05-20

    公益社団法人 日本金属学会

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各種コード

  • NII論文ID(NAID)
    10013071036
  • NII書誌ID(NCID)
    AA1151294X
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    13459678
  • NDL 記事登録ID
    6951125
  • 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  CJP引用  NDL  J-STAGE 
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