Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO<sub>2</sub>

Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO<sub>2</sub>

We detail the estimation of activation energies and quantum nuclear vibrational tunneling effects for hydrogen diffusion in PuO<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><m...

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Bibliographic Details
Main Authors: Nir Goldman, Luis Zepeda-Ruiz, Ryan G. Mullen, Rebecca K. Lindsey, C. Huy Pham, Laurence E. Fried, Jonathan L. Belof
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Applied Sciences
Subjects:
plutonium oxide
Density Functional Theory
hydrogen diffusion
quantum tunneling effects
Online Access:https://www.mdpi.com/2076-3417/12/21/11005

Internet

https://www.mdpi.com/2076-3417/12/21/11005

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