A comparative investigation on the fundamental physical properties of UX2 (X = O, N, C, Si and S) solid nuclear fuel materials: A DFT + U study

A comparative investigation on the fundamental physical properties of UX2 (X = O, N, C, Si and S) solid nuclear fuel materials: A DFT + U study

This study investigates and compares the physical properties of various UX2 (X = O, N, C, Si and S) nuclear fuels using a combination of Density Functional Theory (DFT) and Hubbard U correction parameter (U) to accurately model the electronic structure and account for strong correlation effects amon...

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Bibliographic Details
Main Author: Minhajul Islam
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Chemical Physics Impact
Subjects:
UX2
Nuclear fuels
DFT + U
Elastic anisotropy
Thermal conductivity
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423001494

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