Identifying a causal link between structure and dynamics in supercooled waterD. C. Malaspina1, J. A. Rodriguez Fris1, G. A. Appignanesi1 and F. Sciortino2
1 Área de Fisicoquímica, Departamento de Química and INQUISUR, Universidad Nacional del Sur Avenida Alem 1253, 8000-Bahía Blanca, Argentina
2 Dipartimento di Fisica and INFM-CNR-SOFT, Università di Roma “La Sapienza” Piazzale A. Moro 2, 00185 Roma, Italy, EU
received 9 August 2009; accepted in final form 23 September 2009; published October 2009
published online 23 October 2009
By means of molecular-dynamics simulations we firmly establish the long-awaited existence of strong correlations between structure and dynamics for a glass-forming system: supercooled water. We find molecules with similar structural (and dynamical) properties to be clustered in space, thus reveling the existence of structured regions with low dynamic propensity and unstructured ones with a high-mobility tendency.
61.20.Ja - Computer simulation of liquid structure.
61.20.Lc - Time-dependent properties; relaxation.
61.25.Em - Molecular liquids.
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