Quantitative test of the mode-coupling theory of the ideal glass transition for a binary Lennard-Jones system

被引:151
作者
Nauroth, M [1 ]
Kob, W [1 ]
机构
[1] UNIV MAINZ, INST PHYS, D-55099 MAINZ, GERMANY
关键词
D O I
10.1103/PhysRevE.55.657
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
Using a molecular-dynamics computer simulation we determine the temperature dependence of the partial structure factors for a binary Lennard-Jones system. These structure factors are used as input data to solve numerically the wave-vector-dependent mode-coupling equations in the long-time limit. Using the so-determined solutions, we compare the predictions of mode-coupling theory (MCT);with the results of a previously done molecular-dynamics computer simulation [Phys. Rev, E 51, 4626 (1995); 52, 4134 (1995)]. From this comparison we conclude that MCT gives a fair estimate of the critical coupling constant, gives a good estimate of the exponent parameter, predicts the wave-vector dependence of the various nonergodicity parameters very well, except for very large wave vectors, and gives also a very good description of the space dependence of the various critical amplitudes. In an attempt to correct for some of the remaining discrepancies between the theory and the results of the simulation, we investigate two small (ad hoc) modifications of the theory. We find that one modification gives worse agreement between theory and simulation, whereas the second one leads to improved agreement.
引用
收藏
页码:657 / 667
页数:11
相关论文
共 33 条
  • [1] MODE-COUPLING THEORY FOR THE GLASS-TRANSITION IN A SIMPLE BINARY MIXTURE
    BARRAT, JL
    LATZ, A
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1990, 2 (18) : 4289 - 4295
  • [2] THEORETICAL CALCULATIONS ON LIQUID-GLASS TRANSITIONS IN LENNARD-JONES SYSTEMS
    BENGTZELIUS, U
    [J]. PHYSICAL REVIEW A, 1986, 33 (05): : 3433 - 3439
  • [3] DYNAMICS OF SUPERCOOLED LIQUIDS AND THE GLASS-TRANSITION
    BENGTZELIUS, U
    GOTZE, W
    SJOLANDER, A
    [J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1984, 17 (33): : 5915 - 5934
  • [4] SOFT-SPHERE MODEL FOR THE GLASS-TRANSITION IN BINARY-ALLOYS - PAIR STRUCTURE AND SELF-DIFFUSION
    BERNU, B
    HANSEN, JP
    HIWATARI, Y
    PASTORE, G
    [J]. PHYSICAL REVIEW A, 1987, 36 (10) : 4891 - 4903
  • [5] Boon J. P., 1980, MOL HYDRODYNAMICS
  • [6] DELOCALIZATION OF SMALL PARTICLES IN A GLASSY MATRIX
    BOSSE, J
    THAKUR, JS
    [J]. PHYSICAL REVIEW LETTERS, 1987, 59 (09) : 998 - 1001
  • [7] RELAXATIONAL DYNAMICS IN SUPERCOOLED LIQUIDS - EXPERIMENTAL TESTS OF THE MODE-COUPLING THEORY
    CUMMINS, HZ
    LI, G
    DU, WM
    HERNANDEZ, J
    [J]. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 1994, 204 (1-4) : 169 - 201
  • [8] FRANOSCH T, UNPUB
  • [9] BETA-RELAXATION THEORY FOR SIMPLE SYSTEMS - SOME ADDENDA
    FUCHS, M
    GOTZE, W
    HILDEBRAND, S
    LATZ, A
    [J]. ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1992, 87 (01): : 43 - 49
  • [10] PRIMARY RELAXATION IN A HARD-SPHERE SYSTEM
    FUCHS, M
    HOFACKER, I
    LATZ, A
    [J]. PHYSICAL REVIEW A, 1992, 45 (02): : 898 - 912