Free-Energy Calculation of Precipitate Nucleation in an Fe-Cu-Ni Alloy

• Seko Atsuto

  Department of Materials Science and Engineering, Kyoto University

• Odagaki Natsuki

  Department of Materials Science and Engineering, Kyoto University

• Nishitani Shigeto R.

  Department of Materials Science and Engineering, Kyoto University Also at Ferrous Nano Metal Consortium

• Tanaka Isao

  Department of Materials Science and Engineering, Kyoto University

• Adachi Hirohiko

  Department of Materials Science and Engineering, Kyoto University

抄録

We extend our newly proposed calculation method of precipitate nucleation free energy to ternary systems. This method utilized first principles calculations for enthalpy change and interface energy, and the Bragg-Williams approximation for entropy loss from scattered atoms condensing into a cluster. The effect of Ni addition on copper precipitation in the Fe-Cu system was examined by this method. It was revealed that added Ni prefers segregation at the matrix/cluster interface, and reduces the activation energy barrier as well as the interface energy.

収録刊行物

• MATERIALS TRANSACTIONS

  MATERIALS TRANSACTIONS 45 (7), 1978-1981, 2004

  公益社団法人 日本金属学会

キーワード

• iron-copper-nickel
• first principle calculation
• precipitate nucleation
• activation energy
• critical number

詳細情報

• CRID: 1390001204251416448
• NII論文ID: 10013336154
• NII書誌ID: AA1151294X
• DOI: 10.2320/matertrans.45.1978
• COI: 1:CAS:528:DC%2BD2cXmvFaqu7g%3D
• ISSN: 13475320
• ISSN: 13459678
• ISSN: http://id.crossref.org/issn/09161821
• NDL書誌ID: 7015257
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I7015257
• Web Site: https://www.jstage.jst.go.jp/article/matertrans/45/7/45_7_1978/_pdf
• 本文言語コード: en
• データソース種別:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
• 抄録ライセンスフラグ: 使用不可