Ice Recrystallization Unveils the Binding Mechanism Operating at a Diffused Interface.

Abstract

Recrystallization of ice is a natural phenomenon that causes adverse effects in cryopreservation, agriculture, and in frozen food industry. It has long been recognized that ice recrystallization occurs through the Ostwald ripening and accretion processes. However, neither of these processes has been explored in microscopic detail by state-of-the-art experimental techniques. We carried out atomistic molecular dynamics (MD) simulations to explore ice recrystallization through the accretion process. Attempts have been made to elucidate the binding mechanism that is operating at the diffused ice-water interface. It is demonstrated that two ice crystals spontaneously recognize each other and bind together to form a large crystal in liquid water, resulting in ice recrystallization by accretion. Interestingly, the study reveals that the binding occurs due to the freezing of the interfacial water layer present between the two ice planes, even at a temperature above the melting point of the ice crystal. The synergistically enhanced ordering effect of two ice surfaces on the interfacial water leads to such freezing occurring during the binding process. However, proper crystallographic alignment is not necessarily required for the binding of the two crystals. Simulations have also been carried out to study the binding between an ice crystal and the model ice-binding surface (IBS) of an antifreeze protein above the melting point of the ice crystal. It is found that such binding at the IBS is accompanied by freezing of the interfacial water. This establishes that the synergetic ordering-driven freezing of interfacial water is a common binding mechanism at the diffused surfaces of ice crystals. We believe that this mechanism will provide a microscopic understanding of the process of recrystallization inhibition and thus help in designing suitable materials for potent applications in recrystallization inhibition.