4. CNOCLUSION
In this paper, we have presented the DFT calculations of the structures
and the second -order elastic parameters for NH3,
N2O and NO hydrates. Taking into account the difference
of the calculation method, and experimental conditions, the calculated
mechanical properties of NH3, N2O and NO
hydrate are analyzed. Although the mechanical properties of
NH3, N2O and NO hydrates are similar,
they are significantly different from those of CH4hydrate due to the polar nature of these three molecules. The current
investigation is expected to further enrich the theory for hydrates and
may trigger more theoretical exploration on the physics of hydrates.