Efficient measurement of linear susceptibilities in molecular simulations: Application to aging supercooled liquids

被引：49

作者：

Berthier, Ludovic ^{[1
]}

机构：

[1] Univ Montpellier 2, Lab Colloides Verres & Nanomat, UMR 5587, F-34095 Montpellier, France

[2] CNRS, F-34095 Montpellier, France

来源：

PHYSICAL REVIEW LETTERS | 2007年 / 98卷 / 22期

关键词：

D O I：

10.1103/PhysRevLett.98.220601

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We propose a novel method to measure time-dependent linear susceptibilities in molecular simulations, which does not require the use of nonequilibrium simulations, subtraction techniques, or fluctuation-dissipation theorems. The main idea is an exact reformulation of linearly perturbed quantities in terms of observables accessible in a single unperturbed trajectory. We apply these ideas to supercooled liquids in a nonequilibrium aging regime. We show that previous work had underestimated deviations from fluctuation-dissipation relations in the case of a Lennard-Jones system, while our results for silica are in qualitative disagreement with earlier results.

引用

页数：4

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