• Corpus ID: 4693808

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

  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},
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… 
1 Citations

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