What does the potential energy landscape tell us about the dynamics of supercooled liquids and glasses?

被引:105
作者
Doliwa, B [1 ]
Heuer, A
机构
[1] Max Planck Inst Polymer Res, Mainz, Germany
[2] Univ Munster, Inst Phys Chem, D-48149 Munster, Germany
关键词
D O I
10.1103/PhysRevLett.91.235501
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
For a model glass former we demonstrate via computer simulations how macroscopic dynamic quantities can be inferred from a potential energy landscape (PEL) analysis. The essential step is to consider whole superstructures of many PEL minima, called metabasins, rather than single minima. We show that two types of metabasins exist: some allowing for quasifree motion on the PEL (liquidlike), and the others acting as traps (solidlike). The activated, multistep escapes from the latter metabasins are found to dictate the slowing down of dynamics upon cooling over a much broader temperature range than is currently assumed.
引用
收藏
页码:235501 / 235501
页数:4
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共 30 条
[1]   Saddles in the energy landscape probed by supercooled liquids [J].
Angelani, L ;
Di Leonardo, R ;
Ruocco, G ;
Scala, A ;
Sciortino, F .
PHYSICAL REVIEW LETTERS, 2000, 85 (25) :5356-5359
[2]   Potential energy, relaxation, vibrational dynamics and the boson peak, of hyperquenched glasses [J].
Angell, CA ;
Yue, YZ ;
Wang, LM ;
Copley, JRD ;
Borick, S ;
Mossa, S .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2003, 15 (11) :S1051-S1068
[3]   From topographies to dynamics on multidimensional potential energy surfaces of atomic clusters [J].
Ball, KD ;
Berry, RS ;
Kunz, RE ;
Li, FY ;
Proykova, A ;
Wales, DJ .
SCIENCE, 1996, 271 (5251) :963-966
[4]   Nontopographic description of inherent structure dynamics in glassformers [J].
Berthier, L ;
Garrahan, JP .
JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (08) :4367-4371
[5]   FUNNELS, PATHWAYS, AND THE ENERGY LANDSCAPE OF PROTEIN-FOLDING - A SYNTHESIS [J].
BRYNGELSON, JD ;
ONUCHIC, JN ;
SOCCI, ND ;
WOLYNES, PG .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 1995, 21 (03) :167-195
[6]   Potential energy landscape of a model glass former:: Thermodynamics, anharmonicities, and finite size effects [J].
Büchner, S ;
Heuer, A .
PHYSICAL REVIEW E, 1999, 60 (06) :6507-6518
[7]   Metastable states as a key to the dynamics of supercooled liquids [J].
Büchner, S ;
Heuer, A .
PHYSICAL REVIEW LETTERS, 2000, 84 (10) :2168-2171
[8]   Conjugate gradient filtering of instantaneous normal modes, saddles on the energy landscape, and diffusion in liquids [J].
Chowdhary, J ;
Keyes, T .
PHYSICAL REVIEW E, 2002, 65 (02)
[9]   Are mean-field spin-glass models relevant for the structural glass transition? [J].
Crisanti, A ;
Ritort, F .
PHYSICA A, 2000, 280 (1-2) :155-160
[10]   Supercooled liquids and the glass transition [J].
Debenedetti, PG ;
Stillinger, FH .
NATURE, 2001, 410 (6825) :259-267