K A Mort et al 1999 J. Phys.: Condens. Matter 11 3967 doi:10.1088/0953-8984/11/20/303
K A Mort, P J Wilde and R A Jackson
Show affiliationsThe computer modelling of ammonium nitrate is described. Interatomic potentials are derived for ammonium and nitrate molecular ions, using empirical fitting to ammonium halides and alkali nitrates, and are used to calculate crystal and lattice properties which are compared with available experimental data. The potentials are then used to model the low temperature phase (phase V) of ammonium nitrate.
Issue 20 (24 May 1999)
Received 11 January 1999, in final form 22 February 1999
K A Mort et al 1999 J. Phys.: Condens. Matter 11 3967
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