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 [J].
ADAMS, JE ;
STRATT, RM .
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 [J].
ANDERSON, PW ;
HALPERIN, BI ;
VARMA, CM .
PHILOSOPHICAL MAGAZINE, 1972, 25 (01) :1-&
[5]   INSTANTANEOUS NORMAL-MODES AND THE GLASS-TRANSITION [J].
BEMBENEK, SD ;
LAIRD, BB .
PHYSICAL REVIEW LETTERS, 1995, 74 (06) :936-939
[6]   ANHARMONIC POTENTIALS AND VIBRATIONAL LOCALIZATION IN GLASSES [J].
BUCHENAU, U ;
GALPERIN, YM ;
GUREVICH, VL ;
SCHOBER, HR .
PHYSICAL REVIEW B, 1991, 43 (06) :5039-5045
[7]   LOW-FREQUENCY MODES IN VITREOUS SILICA [J].
BUCHENAU, U ;
PRAGER, M ;
NUCKER, N ;
DIANOUX, AJ ;
AHMAD, N ;
PHILLIPS, WA .
PHYSICAL REVIEW B, 1986, 34 (08) :5665-5673
[8]   THE SHORT-TIME DYNAMICS OF MOLECULAR LIQUIDS - INSTANTANEOUS-NORMAL-MODE THEORY [J].
BUCHNER, M ;
LADANYI, BM ;
STRATT, RM .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (11) :8522-8535
[9]   INSTANTANEOUS NORMAL-MODE ANALYSIS OF LIQUID WATER [J].
CHO, M ;
FLEMING, GR ;
SAITO, S ;
OHMINE, I ;
STRATT, RM .
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 [J].
COTTERILL, RMJ ;
MADSEN, JU .
PHYSICAL REVIEW B, 1986, 33 (01) :262-268