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分子動力学法によるUO$$_{2}$$中におけるFP元素の拡散係数評価

Diffusion coefficients of fission products in UO$$_{2}$$ with molecular dynamics method

佐藤 勇; 松本 卓; 小山 真一 ; 有馬 立身*

Sato, Isamu; Matsumoto, Taku; Koyama, Shinichi; Arima, Tatsumi*

UO$$_{2}$$の結晶中に陽イオンの置換型で配置した核分裂生成元素Zr, Nd, Ba及びSrの拡散係数を分子動力学法で評価した。その結果、それぞれ3価及び2価のイオンとなるNd及びBa/Srの拡散係数の方が4価のイオンであるU及びZrの拡散係数より大きいことを示した。

Diffusion coefficients of fission product elements, Zr, Nd, Ba and Sr in UO$$_{2}$$ crystal which are substituent cations for U were evaluated with molecular dynamics. The diffusion coefficients of Nd and Ba/Sr which are trivalent and divalent cations are greater than those of U and Zr that are tetravalent cations.

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