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Identifying transitions in finite systems by means of partition function zeros and microcanonical inflection-point analysis: A comparison for elastic flexible polymers

机译:通过分区函数识别有限系统中的转换   零点和微正则拐点分析:弹性的比较   柔性聚合物

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摘要

For the estimation of transition points of finite elastic, flexible polymerswith chain lengths from $13$ to $309$ monomers, we compare systematicallytransition temperatures obtained by the Fisher partition function zerosapproach with recent results from microcanonical inflection-point analysis.These methods rely on accurate numerical estimates of the density of states,which have been obtained by advanced multicanonical Monte Carlo samplingtechniques. Both the Fisher zeros method and microcanonical inflection-pointanalysis yield very similar results and enable the unique identification oftransition points in finite systems, which is typically impossible in theconventional canonical analysis of thermodynamic quantities.
机译:为了估算链长范围从$ 13 $到$ 309 $的有限弹性,柔性聚合物的转变点,我们系统地比较了Fisher分配函数零方法获得的转变温度与微规范拐点分析的最新结果,这些方法依赖于精确的数值估计通过先进的多规范蒙特卡洛采样技术获得的状态密度。 Fisher零点方法和微规范拐点分析都产生非常相似的结果,并且能够对有限系统中的转变点进行唯一识别,这在常规的热力学量的常规规范分析中通常是不可能的。

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