A strong to fragile transition in a model of liquid silica

被引:46
作者
Barrat, JL
Badro, J
Gillet, P
机构
[1] Univ Lyon 1, Dept Phys Mat, CNRS, UMR 5586, F-69622 Villeurbanne, France
[2] Ecole Normale Super Lyon, Lab Sci Terre URA 726, F-69364 Lyon 07, France
[3] Ecole Normale Super Lyon, Inst Univ France, Lab Sci Terre URA 726, F-69364 Lyon 07, France
关键词
liquid silica; strong to fragile transition;
D O I
10.1080/08927029708024165
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
The transport properties of an ionic model for liquid silica [1] at high temperatures and pressure are investigated using molecular dynamics simulations. With increasing pressure, a clear change from "strong" to "fragile" behaviour (according to Angell's classification of glass-forming liquids) is observed, albeit only an the small viscosity range that can be explored in MD simulations. This change is related to structural changes, from an almost perfect four-fold coordination to an imperfect five or six-fold coordination.
引用
收藏
页码:17 / 25
页数:9
相关论文
共 16 条
  • [11] KUBICKI JD, 1988, AM MINERAL, V73, P941
  • [12] MOLECULAR-DYNAMICS OF LIQUID SIO2 UNDER HIGH-PRESSURE
    RUSTAD, JR
    YUEN, DA
    SPERA, FJ
    [J]. PHYSICAL REVIEW A, 1990, 42 (04): : 2081 - 2089
  • [13] THE STRUCTURE AND DYNAMICS OF SILICA POLYMORPHS USING A 2-BODY EFFECTIVE POTENTIAL MODEL
    TSE, JS
    KLUG, DD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (12) : 9176 - 9185
  • [14] 1ST-PRINCIPLES INTERATOMIC POTENTIAL OF SILICA APPLIED TO MOLECULAR-DYNAMICS
    TSUNEYUKI, S
    TSUKADA, M
    AOKI, H
    MATSUI, Y
    [J]. PHYSICAL REVIEW LETTERS, 1988, 61 (07) : 869 - 872
  • [15] FORCE-FIELDS FOR SILICAS AND ALUMINOPHOSPHATES BASED ON ABINITIO CALCULATIONS
    VANBEEST, BWH
    KRAMER, GJ
    VANSANTEN, RA
    [J]. PHYSICAL REVIEW LETTERS, 1990, 64 (16) : 1955 - 1958
  • [16] Cooling-rate effects in amorphous silica: A computer-simulation study
    Vollmayr, K
    Kob, W
    Binder, K
    [J]. PHYSICAL REVIEW B, 1996, 54 (22) : 15808 - 15827