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Defect chemistry and basic properties of non-stoichiometric PuO$$_{2}$$

不定比性PuO$$_{2}$$の欠陥化学と基礎特性

加藤 正人; 中村 博樹; 渡部 雅; 松本 卓; 町田 昌彦

Kato, Masato; Nakamura, Hiroki; Watanabe, Masashi; Matsumoto, Taku; Machida, Masahiko

PuO$$_{2-x}$$の実験データをレビューし、酸素ポテンシャル、電気伝導率及び第一原理計算結果を用いて欠陥濃度を評価した。欠陥濃度を評価する式を導出し、様々な基礎特性の間の整合性を確認するとともに、熱物性を評価するための機構論的モデルを導出した。

The basic properties of PuO$$_{2-x}$$ were reviewed, and the equilibrium defects in PuO$$_{2-x}$$ were evaluated from the experimental data of the oxygen potential and electrical conductivity as well as the Ab-initio calculation results. Consistency among various properties was confirmed, and the mechanistic models for thermal property representations were derived.

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