Renormalized Molecular Dynamics Simulation of Crack Initiation Process in Machining Defectless Monocrystal Silicon.

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  • 繰込み変換分子動力学による無欠陥単結晶シリコン切削時のクラック生成過程シミュレーション
  • クリコミ ヘンカン ブンシ ドウリキガク ニヨル ム ケッカン タンケッショウ

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Abstract

By using renormalized molecular dynamics (RMD) proposed by the authors, computer experiments of machining defectless monocrystal silicon of various size have been carried out to investigate crack initiation process. The results show that a defectless monocrystal silicon can be machined in ductile mode in any scale in an absolute vacuum but exhibits brittle-ductile transition depending on the scale of machining in normal atmosphere. The effect of atmosphere taken into account in this study is adsorption and invation of atmospheric molecules into microcrevices created in both static and dynamic manners in a crystal during machining. The paper describes detailed mechanism of the process of crack initiation together with the discussion from micro dynamics points of view why ductile mode machining is always possible either in small scale or in case of f.c.c. metals.

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