Recently we have studied, using numerical simulations, a limited valency model, i.e. an attractive square well model with a constraint on the maximum number of bonded neighbours. Studying a large region of temperatures T and packing fractions phi, we have estimated the location of the liquid-gas phase separation spinodal and the loci of dynamic arrest, where the system is trapped in a disordered non-ergodic state. Two distinct arrest lines for the system are present in the system: a ( repulsive) glass line at high packing fraction, and a gel line at low phi and T. The former is essentially vertical (phi controlled), while the latter is rather horizontal (T controlled) in the (phi-T) plane. We here complement the molecular dynamics results with mode coupling theory calculations, using the numerical structure factors as input. We find that the theory predicts a repulsive glass line-in satisfactory agreement with the simulation results - and an attractive glass line, which appears to be unrelated to the gel line.

Mode-coupling theory predictions for a limited valency attractive square well model / Zaccarelli, Emanuela; I., Saika Voivod; A. J., Moreno; LA NAVE, Emilia; S. V., Buldyrev; Tartaglia, Piero; Sciortino, Francesco. - In: JOURNAL OF PHYSICS. CONDENSED MATTER. - ISSN 0953-8984. - 18:36(2006), pp. S2373-S2382. (Intervento presentato al convegno Workshop on Topics in the Application of Scattering Methods to Investigate the Structure and Dynamics of Soft Condensed Matter tenutosi a Fiesole, ITALY nel 2006) [10.1088/0953-8984/18/36/s11].

Mode-coupling theory predictions for a limited valency attractive square well model

ZACCARELLI, EMANUELA;LA NAVE, EMILIA;TARTAGLIA, Piero;SCIORTINO, Francesco
2006

Abstract

Recently we have studied, using numerical simulations, a limited valency model, i.e. an attractive square well model with a constraint on the maximum number of bonded neighbours. Studying a large region of temperatures T and packing fractions phi, we have estimated the location of the liquid-gas phase separation spinodal and the loci of dynamic arrest, where the system is trapped in a disordered non-ergodic state. Two distinct arrest lines for the system are present in the system: a ( repulsive) glass line at high packing fraction, and a gel line at low phi and T. The former is essentially vertical (phi controlled), while the latter is rather horizontal (T controlled) in the (phi-T) plane. We here complement the molecular dynamics results with mode coupling theory calculations, using the numerical structure factors as input. We find that the theory predicts a repulsive glass line-in satisfactory agreement with the simulation results - and an attractive glass line, which appears to be unrelated to the gel line.
2006
01 Pubblicazione su rivista::01a Articolo in rivista
Mode-coupling theory predictions for a limited valency attractive square well model / Zaccarelli, Emanuela; I., Saika Voivod; A. J., Moreno; LA NAVE, Emilia; S. V., Buldyrev; Tartaglia, Piero; Sciortino, Francesco. - In: JOURNAL OF PHYSICS. CONDENSED MATTER. - ISSN 0953-8984. - 18:36(2006), pp. S2373-S2382. (Intervento presentato al convegno Workshop on Topics in the Application of Scattering Methods to Investigate the Structure and Dynamics of Soft Condensed Matter tenutosi a Fiesole, ITALY nel 2006) [10.1088/0953-8984/18/36/s11].
File allegati a 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/11573/236156
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 11
  • ???jsp.display-item.citation.isi??? 11
social impact