MOLECULAR-DYNAMICS AND TIME REVERSIBILITY

被引：108

作者：

LEVESQUE, D

VERLET, L

机构：

[1] Laboratoire de Physique Theorique et Hautes Energies (Laboratoire associe au Centre National, de la Recherche Scientifique), Université de Paris XI, Orsay Cedex

来源：

JOURNAL OF STATISTICAL PHYSICS | 1993年 / 72卷 / 3-4期

关键词：

NUMERICAL SIMULATIONS; IRREVERSIBILITY; MONTE-CARLO METHODS; MICROCANONICAL ENSEMBLE; LONG-TIME TAIL;

D O I：

10.1007/BF01048022

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We present a time-symmetrical integer arithmetic algorithm for numerical (molecular dynamics) simulations of classical fluids. This algorithm is used to illustrate, through concrete examples, that time-asymmetric evolutions are typical for systems of many particles evolving according to reversible microscopic dynamics and to calculate the asymptotic behavior of the velocity autocorrelation function with an improved accuracy. The equivalence between equilibrium time averages and microcanonical ensemble averages is checked via two new sampling methods for computing microcanonical averages of classical systems.

引用

页码：519 / 537

页数：19

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