Slow dynamics in a primitive tetrahedral network model

被引:37
作者
De Michele, Cristiano
Tartaglia, Piero
Sciortino, Francesco
机构
[1] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy
[2] Univ Roma La Sapienza, INFM, CNR, SOFT, I-00185 Rome, Italy
[3] Univ Roma La Sapienza, INFM, CNR, SMC, I-00185 Rome, Italy
关键词
D O I
10.1063/1.2393239
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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. (c) 2006 American Institute of Physics.
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页数:8
相关论文
共 46 条
[1]   RELAXATION IN LIQUIDS, POLYMERS AND PLASTIC CRYSTALS - STRONG FRAGILE PATTERNS AND PROBLEMS [J].
ANGELL, CA .
JOURNAL OF NON-CRYSTALLINE SOLIDS, 1991, 131 :13-31
[2]   High-quality continuous random networks [J].
Barkema, GT ;
Mousseau, N .
PHYSICAL REVIEW B, 2000, 62 (08) :4985-4990
[3]   Phase diagram of patchy colloids: Towards empty liquids [J].
Bianchi, Emanuela ;
Largo, Julio ;
Tartaglia, Piero ;
Zaccarelli, Emanuela ;
Sciortino, Francesco .
PHYSICAL REVIEW LETTERS, 2006, 97 (16)
[4]   Dynamics in the presence of attractive patchy interactions [J].
De Michele, C ;
Gabrielli, S ;
Tartaglia, P ;
Sciortino, F .
JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (15) :8064-8079
[5]   Molecular mode-coupling theory for supercooled liquids: Application to water [J].
Fabbian, L ;
Latz, A ;
Schilling, R ;
Sciortino, F ;
Tartaglia, P ;
Theis, C .
PHYSICAL REVIEW E, 1999, 60 (05) :5768-5777
[6]   Scaling of dynamics with the range of interaction in short-range attractive colloids [J].
Foffi, G ;
De Michele, C ;
Sciortino, F ;
Tartaglia, P .
PHYSICAL REVIEW LETTERS, 2005, 94 (07)
[7]   Evidence for an unusual dynamical-arrest scenario in short-ranged colloidal systems [J].
Foffi, G. ;
Dawson, K.A. ;
Buldyrev, S.V. ;
Sciortino, F. ;
Zaccarelli, E. ;
Tartaglia, P. .
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 2002, 65 (05) :1-050802
[8]   On the mechanical properties and phase behavior of silica: A simple model based on low coordination and strong association [J].
Ford, MH ;
Auerbach, SM ;
Monson, PA .
JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (17) :8415-8422
[9]   Static and dynamic properties of a viscous silica melt [J].
Horbach, J ;
Kob, W .
PHYSICAL REVIEW B, 1999, 60 (05) :3169-3181
[10]   MONTE-CARLO SIMULATIONS ON PRIMITIVE MODELS OF WATER AND METHANOL [J].
KOLAFA, J ;
NEZBEDA, I .
MOLECULAR PHYSICS, 1987, 61 (01) :161-175