thermostat

Melting behaviors of Con (n=13,55,147)clusters have been studied by using Berendsen thermostat and Nose-Hoover thermostat within molecular dynamics simulation.

本文运用分子动力学方法,采用Berendsen热浴和Nose-Hoover热浴分别研究了Con(n=13,55,147)团簇的熔化特性,模型采用Gupta相互作用势。

The autocorrelation function was calculated by heat-bath algorithm.

从一个高温无序相淬火到临界点Tc,采用热浴迭代方法,模拟计算双时自关联函数A(t,t′=0)与t的函数标度关系,以及A(t,t′)与t/t′之间的函数关系,得到了相关临界指数。