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热浴中 Davydov-Scott 单体的非简谐振荡效应

Anharmonic oscillation effect on the Davydov-Scott monomer in a thermal bath.

作者信息

Sulaiman A, Zen F P, Alatas H, Handoko L T

机构信息

Theoretical Physics Laboratory, THEPI, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung 40135, Indonesia.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Jun;81(6 Pt 1):061907. doi: 10.1103/PhysRevE.81.061907. Epub 2010 Jun 3.

Abstract

The dynamics of Davydov-Scott monomer in a thermal bath with higher order amide-site's displacement leads to anharmonic oscillation effect is investigated using full-quantum approach and the Lindblad formulation of master equation. The specific heat is calculated based on the thermodynamic partition function using the path integral method. The temperature dependence of the specific heat is studied. In the model the specific heat anomaly as pointed out in recent works by Ingold [Phys. Rev. E 79, 061105 (2009)] is also observed. However, it is found that the anomaly occurs at high-temperature region, and the anharmonic oscillation restores the positivity of specific heat.

摘要

采用全量子方法和主方程的林德布拉德形式,研究了具有高阶酰胺位点位移的热浴中达维多夫 - 斯科特单体的动力学,该动力学导致非谐振荡效应。使用路径积分方法基于热力学配分函数计算比热。研究了比热的温度依赖性。在该模型中,还观察到了英戈尔德近期工作[《物理评论E》79, 061105 (2009)]中指出的比热异常。然而,发现该异常出现在高温区域,并且非谐振荡恢复了比热的正值。

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