High pressure structural, elastic and vibrational properties of green energetic oxidizer ammonium dinitramide

  title={High pressure structural, elastic and vibrational properties of green energetic oxidizer ammonium dinitramide},
  author={N. Yedukondalu and Vikas Dasharath Ghule and Ganapathy Vaitheeswaran},
  journal={arXiv: Materials Science},
Ammonium DiNitramide (ADN) is one of the most promising green energetic oxidizers for future rocket propellant formulations. In the present work, we report a detailed theoretical study on structural, elastic, and vibrational properties of the emerging oxidizer under hydrostatic compression using various dispersion correction methods to capture weak intermolecular (van der Waals and hydrogen bonding) interactions. The calculated ground state lattice parameters, axial compressibilities, and… 
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