Structure stability of (U, Pu) C and (U, Pu) N compositions

Structure stability of (U, Pu) C and (U, Pu) N compositions

Abstract Atomic scale computer simulations based on density functional theory (DFT) are used to calculate the formation energies and structures associated with phases in the U–N, Pu–N, U–C and Pu–C systems. Stable phases across the compositional spaces, from the metal to the nitrogen gas or graphite...

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Bibliographic Details
Main Authors: William A. Watson, Sophie Cooper, Matthew Horton, Robin W. Grimes
Format: Article
Language:English
Published: Nature Portfolio 2025-06-01
Series:Scientific Reports
Subjects:
UN
PuN
UC
PuC
DFT
Structure stability
Online Access:https://doi.org/10.1038/s41598-025-03910-y
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https://doi.org/10.1038/s41598-025-03910-y

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