Abstract
Previously developed empirical potentials which well describe H bonding in a variety of materials have been used to calculate the effect of shock on H bonding in water. The calculations account for the anomalous decrease of the internal OH stretch frequency of the water molecule with increasing shock pressure, and also can account for the temperature-dependent decrease in the number of H bonded water complexes. A new form of water which is symmetrically H bonded is predicted to exist in a shock front above 9 GPa of shock pressure.
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