Atomic-scale Effects of Hydrogen in Iron toward Hydrogen Embrittlement : Ab-initio Study

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概要

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• We have investigated atomic-scale effects of hydrogen atoms in α-Fe by means of ab-initio calculations and examined microscopic mechanism of hydrogen embrittlement in Fe-based materials. Our calculations indicate that accumulation of interstitial hydrogen in a tensile-stress-concentrated region ahead of a crack tip is estimated to be hundredfold increase of the concentration at most, which is much lower than the assumption of the representative models for hydrogen embrittlement. On the contrary, we quantitatively demonstrate that hydrogen significantly facilitates vacancy formation in α-Fe and the resultant vacancies trapping hydrogen incline to the anisotropic clusterization. These results suggest considerable contribution of vacancy-related processes to hydrogen embrittlement in those materials, rather than support interstitial hydrogen effects on which the existent models mainly based.

• 社団法人 日本鉄鋼協会の論文
• 2003-04-15

著者

• Ohno T

  National Research Institute For Metals

• Ohno Takahisa

  National Institute For Materials Science

• Ohno Takahisa

  Computational Materials Science Center National Institute For Materials Science

• Ohno Takahisa

  National Research Institute For Metals

• Tateyama Yoshitaka

  National Institute For Materials Science

• Tateyama Yoshitaka

  Computational Materials Science Center National Institute For Materials Science

• Tateyama Yoshitaka

  Institute For Solid State Physics University Of Tokyo

• Ohno Takahisa

  Science University Of Tokyo

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