TIME-REVERSIBLE EQUILIBRIUM AND NONEQUILIBRIUM ISOTHERMAL-ISOBARIC SIMULATIONS WITH CENTERED-DIFFERENCE STOERMER ALGORITHMS

被引：41

作者：

HOLIAN, BL

DEGROOT, AJ

HOOVER, WG

HOOVER, CG

机构：

[1] UNIV CALIF LAWRENCE LIVERMORE NATL LAB, LIVERMORE, CA 94550 USA

[2] KEIO UNIV, DEPT PHYS, YOKOHAMA, KANAGAWA 223, JAPAN

来源：

PHYSICAL REVIEW A | 1990年 / 41卷 / 08期

关键词：

D O I：

10.1103/PhysRevA.41.4552

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We describe simple, stable, and economical numerical methods for implementing temperature and pressure controls in equilibrium and nonequilibrium Nosé-Hoover dynamics. These methods substantially increase the efficiency of large-scale simulations. © 1990 The American Physical Society.

引用

页码：4552 / 4553

页数：2