We report extensive Monte Carlo and event-driven molecular dynamics simulations of the fluid and liquid phase of a primitive model for silica recently introduced by Ford [J. Chem. Phys. 121, 8415 (2004)]. We evaluate the isodiffusivity lines in the temperature-density plane to provide an indication of the shape of the glass transition line. Except for large densities, arrest is driven by the onset of the tetrahedral bonding pattern and the resulting dynamics is strong in Angell's classification scheme [J. Non-Cryst. Solids 131-133, 13 (1991)]. We compare structural and dynamic properties with corresponding results of two recently studied primitive models of network forming liquids-a primitive model for water and an angular-constraint-free model of four-coordinated particles-to pin down the role of the geometric constraints associated with bonding. Eventually we discuss the similarities between "glass" formation in network forming liquids and "gel" formation in colloidal dispersions of patchy particles.

Slow dynamics in a primitive tetrahedral network model / DE MICHELE, Cristiano; Tartaglia, Piero; Sciortino, Francesco. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 125:(2006), pp. 204710:1-204710:8. [10.1063/1.2393239]

Slow dynamics in a primitive tetrahedral network model

DE MICHELE, CRISTIANO;TARTAGLIA, Piero;SCIORTINO, Francesco
2006

Abstract

We report extensive Monte Carlo and event-driven molecular dynamics simulations of the fluid and liquid phase of a primitive model for silica recently introduced by Ford [J. Chem. Phys. 121, 8415 (2004)]. We evaluate the isodiffusivity lines in the temperature-density plane to provide an indication of the shape of the glass transition line. Except for large densities, arrest is driven by the onset of the tetrahedral bonding pattern and the resulting dynamics is strong in Angell's classification scheme [J. Non-Cryst. Solids 131-133, 13 (1991)]. We compare structural and dynamic properties with corresponding results of two recently studied primitive models of network forming liquids-a primitive model for water and an angular-constraint-free model of four-coordinated particles-to pin down the role of the geometric constraints associated with bonding. Eventually we discuss the similarities between "glass" formation in network forming liquids and "gel" formation in colloidal dispersions of patchy particles.
2006
DIRECTIONAL ATTRACTIVE FORCES; GLASS-TRANSITION; GELATION; MODE COUPLING THEORY; PHASE SEPARATION LIQUIDS; SILICA PRIMITVE MODEL
01 Pubblicazione su rivista::01a Articolo in rivista
Slow dynamics in a primitive tetrahedral network model / DE MICHELE, Cristiano; Tartaglia, Piero; Sciortino, Francesco. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 125:(2006), pp. 204710:1-204710:8. [10.1063/1.2393239]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/360690
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