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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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-06-01
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| Series: | Scientific Reports |
| Subjects: | |
| Online Access: | https://doi.org/10.1038/s41598-025-03910-y |
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