We present results of a simulation study of water out of equilibrium. Using molecular simulation techniques, we can probe ensembles of trajectories parameterized by order parameters that are extensive in space and time. We find that by coupling external fields to these order parameters, we can drive supercooled water through first order dynamical phase transitions into amorphous ice phases. By varying the initial equilibrium distributions we can probe pathways for the creation of amorphous ices of low and high densities. We also demonstrate the existence of dynamic bifurcations between multiple glass phases and determine their respected coexistence conditions. The correspondence between these glass phases and those produced through experimental protocols are also discussed.

Molecular simulation study of nonequilibrium phase transitions in supercooled water

244th National Meeting (2012)

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