Molecular Dynamics Study of Impurity Effects on Grain Boundary Grooving

• IWASAKI Tomio

• SASAKI Naoya

• YASUKAWA Akio

• CHIBA Norimasa

書誌事項

タイトル別名

• Molecular Dynamics Study of Impurity Ef

抄録

Impurity effects on grain boundary grooving in crystalline aluminum are studied using computer molecular-dynamics simulation. We use a Morse potential that includes equilibrium spacing(r_A1)and potential well depth(|u_A1|)to characterize aluminum/aluminum interaction, and a two-body interatomic potential that includes equilibrium spacing(r_m)and potential well depth(|u_min|)to characterize aluminum/impurity interaction. Simulations show that when r_m is smaller than r_A1 and when |u_min| is close to |u_A1|(within ±20% of it), grain boundary grooving is prevented. This effect is explained by a decrease in the ratio of grain boundary diffusion to surface diffusion. Diffusion coefficients obtained in our simulations show that impurities at grain boundaries which satisfy the above conditions(e.g. copper)strengthen surface diffusion without strengthening grain boundary diffusion.

収録刊行物

• JSME international journal. Ser. A, Mechanics and material engineering

  JSME international journal. Ser. A, Mechanics and material engineering 40 (1), 15-22, 1997-01-15

  一般社団法人 日本機械学会

キーワード

• Molecular Dynamics
• Computational Mechanics
• Diffusion
• Grain Boundary Diffusion
• Surface Diffusion

詳細情報

• CRID: 1390001205433274752
• NII論文ID: 110002964511
• NII書誌ID: AA10888746
• DOI: 10.1299/jsmea1993.40.1_15
• NDL書誌ID: 4121877
• ISSN: 13408046
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I4121877
• Web Site: https://www.jstage.jst.go.jp/article/jsmea1993/40/1/40_1_15/_pdf
• 本文言語コード: en
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