We present recent simulation results on the dynamics of supercooled water with the TIP4P/2005 potential. We find that the dynamical behaviour of the translational motion of the molecules is well interpreted in terms of the Mode Coupling Theory, as it was found for supercooled TIP4P water. We compare the results of the two models and in particular we find also in TIP4P/2005 a crossover from a fragile to a strong regime. We connect this crossover to the crossing of the Widom line emanating from the liquid-liquid critical point.

DE MARZIO, M., Camisasca, G., Rovere, M., Gallo, P. (2016). Fragile-to-strong crossover in supercooled water: A comparison between TIP4P and TIP4P/2005 models. IL NUOVO CIMENTO C, 39(3) [10.1393/ncc/i2016-16302-2].

Fragile-to-strong crossover in supercooled water: A comparison between TIP4P and TIP4P/2005 models

DE MARZIO, MARGHERITA;CAMISASCA, GAIA;ROVERE, Mauro;GALLO, PAOLA
2016-01-01

Abstract

We present recent simulation results on the dynamics of supercooled water with the TIP4P/2005 potential. We find that the dynamical behaviour of the translational motion of the molecules is well interpreted in terms of the Mode Coupling Theory, as it was found for supercooled TIP4P water. We compare the results of the two models and in particular we find also in TIP4P/2005 a crossover from a fragile to a strong regime. We connect this crossover to the crossing of the Widom line emanating from the liquid-liquid critical point.
DE MARZIO, M., Camisasca, G., Rovere, M., Gallo, P. (2016). Fragile-to-strong crossover in supercooled water: A comparison between TIP4P and TIP4P/2005 models. IL NUOVO CIMENTO C, 39(3) [10.1393/ncc/i2016-16302-2].
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/11590/318120
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 2
  • ???jsp.display-item.citation.isi??? 1
social impact