Autocorrelation study of the Θ transition for a coarse-grained polymer model
Autocorrelation study of the Θ transition for a coarse-grained polymer model
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DOI：
10.1063/1.4891800
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发表时间：
2014-08-21
影响因子：
4.4
通讯作者：
Bachmann, Michael
中科院分区：
文献类型：
--
作者：
Qi, Kai;Bachmann, Michael
利用Metropolis蒙特卡罗方法模拟了柔性聚合物的粗粒模型，研究了不同能量量和结构量的积分自相关时间与温度的关系。我们表明，由于临界慢化，极值自相关时间也可以被认为是有助于定位相变点的崩塌相变的指示符。这对于有限系统特别有用，在有限系统中，响应量，如比热，不一定表现出明显的热活动的明显迹象。(C)2014 AIP出版有限责任公司。
By means of Metropolis Monte Carlo simulations of a coarse-grained model for flexible polymers, we investigate how the integrated autocorrelation times of different energetic and structural quantities depend on the temperature. We show that, due to critical slowing down, an extremal autocorrelation time can also be considered as an indicator for the collapse transition that helps to locate the transition point. This is particularly useful for finite systems, where response quantities such as the specific heat do not necessarily exhibit clear indications for pronounced thermal activity. (C) 2014 AIP Publishing LLC.