Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid

被引:289
作者
Schroder, TB [1 ]
Sastry, S
Dyre, JC
Glotzer, SC
机构
[1] Natl Inst Stand & Technol, Ctr Theoret & Computat Mat Sci, Gaithersburg, MD 20899 USA
[2] Roskilde Univ, Dept Math & Phys IMFUFA, Roskilde, Denmark
[3] Jawaharlal Nehru Ctr Adv Sci Res, Bangalore 560064, Karnataka, India
关键词
D O I
10.1063/1.481621
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
An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence for the long held view that below a crossover temperature, T-x, the liquid's dynamics can be separated into (i) vibrations around inherent structures and (ii) transitions between inherent structures [M. Goldstein, J. Chem. Phys. 51, 3728 (1969)], i.e., the dynamics become "dominated" by the potential energy landscape. In agreement with previous proposals, we find that T-x is within the vicinity of the mode-coupling critical temperature T-c. We further find that near T-x, transitions between inherent structures occur via cooperative, stringlike rearrangements of groups of particles moving distances substantially smaller than the average interparticle distance. (C) 2000 American Institute of Physics. [S0021-9606(00)50122-6].
引用
收藏
页码:9834 / 9840
页数:7
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