# Prediction of Stable Ground-State Uranium Nitrides at Ambient and High Pressures

@article{Zhou2018PredictionOS, title={Prediction of Stable Ground-State Uranium Nitrides at Ambient and High Pressures}, author={Dawei Zhou and Jiahui Yu and Chunying Pu and Yuling Song}, journal={arXiv: Computational Physics}, year={2018} }

Uranium nitrides have been the subject of intense research owing to their potential applications as advanced nuclear fuels. However, the phase diagram of the U-N system at low temperature and high pressure still remains unclear. In this paper, we explore extensively the phase diagram of the U-N system up to 150 GPa based on first-principles swarm structure searches. The phase diagrams of the experimentally known stoichiometries like U2N3 and UN2 are refined. At zero temperature and pressure…

## One Citation

### Ground-State and Thermodynamical Properties of Uranium Mononitride from Anharmonic First-Principles Theory

- PhysicsApplied Sciences
- 2019

We report on an advanced density-functional theory (DFT) approach for investigating the ground-state and thermodynamical properties of uranium mononitride (UN). The electronic structure for UN at…

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