THE STRUCTURE AND DYNAMICS OF SODIUM DISILICATE GLASS BY MOLECULAR-DYNAMICS SIMULATION

被引：29
|
作者：
SMITH, W
GREAVES, GN
GILLAN, MJ
机构：
[1] CCL,DARESBURY LAB,WARRINGTON WA4 4AD,CHESHIRE,ENGLAND
[2] UNIV KEELE,DEPT PHYS,KEELE ST5 5BG,STAFFS,ENGLAND
来源：
JOURNAL OF NON-CRYSTALLINE SOLIDS | 1995年 / 193卷
关键词：
D O I：
10.1016/0022-3093(95)00441-6
中图分类号：
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The method of molecular dynamics simulation has been used to study the structural and dynamical properties of sodium disilicate glass Na2Si2O5. Realistic empirical potentials have been employed, including three-body terms. The simulated glass has a structure which agrees well with experimental diffraction data. It contains evidence for the microsegregation of alkalis and non-bridging oxygens, supporting the predictions of the modified random network model. Protracted calculations at different temperatures over the range 1000-2000 K reveal the mobility of sodiums compared with the rigidity of silicons and oxygens in the simulated glass. The diffusion activation energy lies remarkably close to the experimental value.
引用
收藏
页码：267 / 271
页数：5
相关论文
共 50 条
  • [1] MOLECULAR-DYNAMICS SIMULATION OF THE TRIVALENT EUROPIUM ION DOPED IN SILICA AND SODIUM DISILICATE GLASSES
    CORMIER, G
    CAPOBIANCO, JA
    MONTEIL, A
    [J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 1993, 152 (2-3) : 225 - 236
  • [2] MOLECULAR-DYNAMICS SIMULATION OF THE TRIVALENT EUROPIUM ION DOPED IN SODIUM DISILICATE GLASS - ELECTRONIC ABSORPTION AND EMISSION-SPECTRA
    CORMIER, G
    CAPOBIANCO, JA
    MORRISON, CA
    MONTEIL, A
    [J]. PHYSICAL REVIEW B, 1993, 48 (22): : 16290 - 16303
  • [3] SIMULATION OF VACANCIES IN A GLASS BY MOLECULAR-DYNAMICS
    DELAYE, JM
    LIMOGE, Y
    [J]. EUROPHYSICS LETTERS, 1992, 20 (05): : 421 - 426
  • [4] Structure and dynamics of sodium disilicate
    Horbach, J
    Kob, W
    [J]. PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1999, 79 (11-12): : 1981 - 1986
  • [5] Structure and dynamics of sodium disilicate
    Horbach, J.
    Kob, W.
    [J]. Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties, 1999, 79 (11): : 1981 - 1986
  • [6] MOLECULAR-DYNAMICS SIMULATION OF A MOLECULAR GLASS AT INTERMEDIATE TIMES
    WAHNSTROM, G
    LEWIS, LJ
    [J]. PHYSICA A, 1993, 201 (1-3): : 150 - 156
  • [7] MOLECULAR-DYNAMICS SIMULATION OF THE GLASS-TRANSITION
    FOX, JR
    ANDERSEN, HC
    [J]. ANNALS OF THE NEW YORK ACADEMY OF SCIENCES, 1981, 371 (OCT) : 123 - 135
  • [8] MOLECULAR-DYNAMICS SIMULATION OF SILICON DIOXIDE GLASS
    MITRA, SK
    [J]. PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1982, 45 (05): : 529 - 548
  • [9] MOLECULAR-DYNAMICS SIMULATION OF THE GLASS-TRANSITION
    ANDERSEN, HC
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1985, 189 (APR-): : 2 - PHYS
  • [10] MOLECULAR-DYNAMICS SIMULATION OF SILICA LIQUID AND GLASS
    DELLAVALLE, RG
    ANDERSEN, HC
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (04): : 2682 - 2689
12345