Molecular Dynamics Simulation of Composition Dependence of Cohesive Energy, Lattice Constants and Elastic Constants in Nickel-Based Superalloys

• Ikeda Yuichi

  Hitachi Research Laboratory, Hitachi, Ltd.

書誌事項

タイトル別名

• Molecular Dynamics Simulation of Compos

抄録

Molecular dynamics simulations were used to analyze lattice constant a, cohesive energy E₀, and elastic constants c₁₁ and c₁₂ of nickel-based superalloys with Al, Ti, V, Cr, Co, Ni, Nb, Mo, Hf, Ta, W, and Re additions. Interatomic potential parameters were evaluated for various additive elements, Ni, and Ni₃Al so that lattice constant a, cohesive energy E₀, and elastic constants c₁₁ and c₁₂ could be reproduced. Changes of all physical quantities evaluated here were found to be proportional to the changes of concentration of additive elements. The dependencies were fitted by the linear least square method and the obtained parameters were saved as a database. The calculated slope parameters of the lattice constant were compared to measured slope parameters for various additives in the γ phase. The measured slope parameters were reproduced very well.

収録刊行物

• Materials Transactions, JIM

  Materials Transactions, JIM 38 (9), 761-770, 1997

  社団法人 日本金属学会

キーワード

• computer simulation
• alloy design
• molecular dynamics
• nickel-based superalloy
• intermetallic compound
• Ni<SUB>3</SUB>Al

詳細情報

• CRID: 1390282679223979904
• NII論文ID: 130003556964
• NII論文ID: 10002453623
• NII書誌ID: AA10699969
• DOI: 10.2320/matertrans1989.38.761
• COI: 1:CAS:528:DyaK2sXntFKlt74%3D
• ISSN: 2432471X
• ISSN: 09161821
• NDL書誌ID: 4317082
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I4317082
• Web Site: https://www.jstage.jst.go.jp/article/matertrans1989/38/9/38_9_761/_pdf
• 本文言語コード: en
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