The role of localization in glasses and supercooled liquids

被引:81
作者
Bembenek, SD [1 ]
Laird, BB [1 ]
机构
[1] UNIV KANSAS, DEPT CHEM, LAWRENCE, KS 66045 USA
关键词
D O I
10.1063/1.471147
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
Localized excitations (tunneling modes, soft harmonic vibrations) are believed to play a dominant role in the thermodynamics and transport properties of glasses at low temperature. Using instantaneous normal-mode (INM) analysis, we explore the role that such localization plays in determining the behavior of such systems in the vicinity of the glass transition. Building on our previous study [Phys. Rev. Lett. 74, 936 (1995)] we present evidence that the glass transition in two simple model systems is associated with a transition temperature below which all unstable INM's become localized. This localization transition is a possible mechanism for the change in diffusion mechanism from continuous flow to localized hopping that is believed to occur in fragile glass formers at a temperature just above T-g. (C) 1996 American Institute of Physics.
引用
收藏
页码:5199 / 5208
页数:10
相关论文
共 38 条
  • [1] EXTENSIONS TO THE INSTANTANEOUS NORMAL MODE ANALYSIS OF CLUSTER DYNAMICS - DIFFUSION CONSTANTS AND THE ROLE OF ROTATIONS IN CLUSTERS
    ADAMS, JE
    STRATT, RM
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (03) : 1632 - 1640
  • [2] Allen M.P., 1987, Computer Simulation of Liquids, DOI DOI 10.1093/OSO/9780198803195.001.0001
  • [3] ANOMALOUS LOW-TEMPERATURE THERMAL PROPERTIES OF GLASSES AND SPIN GLASSES
    ANDERSON, PW
    HALPERIN, BI
    VARMA, CM
    [J]. PHILOSOPHICAL MAGAZINE, 1972, 25 (01): : 1 - &
  • [5] INSTANTANEOUS NORMAL-MODES AND THE GLASS-TRANSITION
    BEMBENEK, SD
    LAIRD, BB
    [J]. PHYSICAL REVIEW LETTERS, 1995, 74 (06) : 936 - 939
  • [6] ANHARMONIC POTENTIALS AND VIBRATIONAL LOCALIZATION IN GLASSES
    BUCHENAU, U
    GALPERIN, YM
    GUREVICH, VL
    SCHOBER, HR
    [J]. PHYSICAL REVIEW B, 1991, 43 (06) : 5039 - 5045
  • [7] LOW-FREQUENCY MODES IN VITREOUS SILICA
    BUCHENAU, U
    PRAGER, M
    NUCKER, N
    DIANOUX, AJ
    AHMAD, N
    PHILLIPS, WA
    [J]. PHYSICAL REVIEW B, 1986, 34 (08): : 5665 - 5673
  • [8] THE SHORT-TIME DYNAMICS OF MOLECULAR LIQUIDS - INSTANTANEOUS-NORMAL-MODE THEORY
    BUCHNER, M
    LADANYI, BM
    STRATT, RM
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (11) : 8522 - 8535
  • [9] INSTANTANEOUS NORMAL-MODE ANALYSIS OF LIQUID WATER
    CHO, M
    FLEMING, GR
    SAITO, S
    OHMINE, I
    STRATT, RM
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (09) : 6672 - 6683
  • [10] LOCALIZED FLUIDITY MODES AND THE TOPOLOGY OF THE CONSTANT-POTENTIAL-ENERGY HYPERSURFACES OF LENNARD-JONES MATTER
    COTTERILL, RMJ
    MADSEN, JU
    [J]. PHYSICAL REVIEW B, 1986, 33 (01): : 262 - 268