2016 Fall Meeting

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Oral Presentation

III. Fission Energy Engineering » 307-1 Computational Science and Engineering

[2L01-06] Molecular simulation for material behavior and simulation tecniques for fission or MA transmutation

Thu. Sep 8, 2016 10:20 AM - 12:00 PM Room L (Kumume City Plaza - Assembly Room 2)

Chair: Yuzuru Eguchi (CRIEPI)

10:20 AM - 10:35 AM

[2L01] First-principles Calculation of Solute Elements in Zirconium

*Mitsuhiro Itakura1, Taira Okita2 (1.JAEA, 2.U.Tokyo)

Keywords:Fuel Cladding, Zirconium, First-principles calculation

燃料被覆管に使用されるジルカロイ合金の照射劣化をモデル化するため鉄、クロムなどの合金元素がジルコニウム中でどのように振る舞うかを第一原理計算で調べた結果を発表する