Study on corrosion, hydrogenation and radiation effects in Zr-Nb Alloys, 5; Simulations

Yamaguchi, Masatake ; Udagawa, Yutaka ; Abe, Hiroaki*; Sekimura, Naoto*

From first-principles calculations, we investigate solute segregation energy and defect formation energy in hcp Zirconium. We found that segregation energies of some solute elements (Fe, Cr, etc.) are large enough to segregate at Zr grain boundary.

Language	:	Japanese
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Meeting title	:	日本原子力学会2012年春の年会
Held date	:	2012/03
Location (city)	:	福井
Location (country)	:	日本
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Keywords	:	no keyword
Research Facility	:	大型計算機・スパコン(東海)
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Article of JAEA R&D Review	:
Cooperating Institute	:	科学技術振興機構

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Registration No. : BB20112545
JAEA Abstracts No. :
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