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Dynamics of phase transitions

We have performed the molecular dynamics simulations of homogeneous ice melting, in which the ordered crystalline structure is transformed to the disordered liquid structure. The developed new ordered parameter revealed that the accumulation of simple defects is hardly enlarged. Instead, the spatial separation of a defect pair induces the entanglement of hydrogen bond networks and leads to ice melting.

K. Mochizuki, M. Matsumoto, and I. Ohmine
Nature 498, 350-354 (2013)
Defect pair separation as the controlling step in homogeneous ice melting