We made a molecular dynamics study of single-particle dynamics of water molecules in deeply supercooled liquid states. We find that the time evolution of various single-particle time correlation functions is characterized by a fast initial relaxation toward a plateau region, where it shows a self-similar dynamics, then followed by a slow, stretched exponential decay to zero at much later times. We interpret these results in the frame-work of a mode-coupling theory for supercooled liquids. We relate the apparent anomalies of transport coefficients in this model water, on lowering the temperature, to the formation of a long-lived cage around each water molecule and the associated slow dynamics of the cages. The experimentally observed so-called Angell temperature, which is an apparent limit of supercooling in liquid water, could thus be interpreted as a kinetic glass transition temperature predicted by the mode-coupling theory. We then discuss to what extent the experimental incoherent quasi-elastic neutron scattering data from supercooled bulk water support the idea of the existence of the slow dynamics.

Chen, S.h., Gallo, P., Sciortino, F., Tartaglia, P. (1997). Slow dynamics in a model and real supercooled water. In J. T. Fourkas (a cura di), Supercooled liquids : advances and nove applications (pp. 264-286).

Slow dynamics in a model and real supercooled water

GALLO, PAOLA;
1997-01-01

Abstract

We made a molecular dynamics study of single-particle dynamics of water molecules in deeply supercooled liquid states. We find that the time evolution of various single-particle time correlation functions is characterized by a fast initial relaxation toward a plateau region, where it shows a self-similar dynamics, then followed by a slow, stretched exponential decay to zero at much later times. We interpret these results in the frame-work of a mode-coupling theory for supercooled liquids. We relate the apparent anomalies of transport coefficients in this model water, on lowering the temperature, to the formation of a long-lived cage around each water molecule and the associated slow dynamics of the cages. The experimentally observed so-called Angell temperature, which is an apparent limit of supercooling in liquid water, could thus be interpreted as a kinetic glass transition temperature predicted by the mode-coupling theory. We then discuss to what extent the experimental incoherent quasi-elastic neutron scattering data from supercooled bulk water support the idea of the existence of the slow dynamics.
1997
Chen, S.h., Gallo, P., Sciortino, F., Tartaglia, P. (1997). Slow dynamics in a model and real supercooled water. In J. T. Fourkas (a cura di), Supercooled liquids : advances and nove applications (pp. 264-286).
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11590/133126
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 1
  • ???jsp.display-item.citation.isi??? 6
social impact