Impacts of Am Aggregation on the Bulk Properties of Mixed Oxides (U, Am)O<sub>2</sub> from First Principles

Impacts of Am Aggregation on the Bulk Properties of Mixed Oxides (U, Am)O<sub>2</sub> from First Principles

We present a first-principles density functional theory with the Coulomb interaction <i>U</i> (DFT + <i>U</i>) investigation of the bulk properties, including structural, energetic, electronic, and mechanical properties for uranium–americium mixed oxides (U, Am)O<sub>2&...

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Bibliographic Details
Main Authors: Tao Liu, Ziyi Yang, Xiaoyan Yu, Tao Gao
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Physics
Subjects:
(U, Am)O<sub>2</sub>
structure of actinide compound oxide
mixing enthalpy
elastic constant
density functional theory (DFT)
Online Access:https://www.mdpi.com/2624-8174/6/4/76
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