Site Occupation State of Deuterium Atoms in fcc Fe

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  • fcc Fe中の重水素原子のサイト占有状態
  • サイエンス記事 fcc Fe中の重水素原子のサイト占有状態
  • サイエンス キジ fcc Fe チュウ ノ ジュウスイソ ゲンシ ノ サイト センユウ ジョウタイ

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Abstract

<p>The deuterization process of fcc Fe to form solid‒solution fcc FeDx was investigated by in situ neutron diffraction measurements at high temperature and high pressure. In a completely deuterized specimen at 988 K and 6.3 GPa, deuterium atoms occupy the octahedral and tetrahedral interstitial sites with an occupancy of 0.532(9) and 0.056(5), respectively, giving a deuterium composition x of 0.64(1). During deuterization, the metal‒lattice expands approximately linearly with deuterium composition at a rate of 2.21 Å3 per deuterium atom. The minor occupation of tetrahedral site is likely driven by the intersite movement of deuterium atoms along the <111> direction in the fcc metal lattice. These results provide implications for the light elements in the Earth's core and the mechanism of hydrogen embrittlement of ferrous metals.</p>

Journal

  • hamon

    hamon 25 (1), 26-31, 2015

    The Japanese Society for Neutron Science

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