Violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat

Abstract A logarithmic oscillator has been proposed to serve as a thermostat recently since it has a peculiar property of infinite heat capacity according to the virial theorem. In order to examine its feasibility in numerical simulations, a modified logarithmic potential has been applied in previou...

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Autores principales:	Kai Chen, Dahai He, Hong Zhao
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/f81dbbb92754430fbd4441837a1210ef
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spelling	oai:doaj.org-article:f81dbbb92754430fbd4441837a1210ef2021-12-02T12:32:43ZViolation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat10.1038/s41598-017-03694-w2045-2322https://doaj.org/article/f81dbbb92754430fbd4441837a1210ef2017-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-03694-whttps://doaj.org/toc/2045-2322Abstract A logarithmic oscillator has been proposed to serve as a thermostat recently since it has a peculiar property of infinite heat capacity according to the virial theorem. In order to examine its feasibility in numerical simulations, a modified logarithmic potential has been applied in previous studies to eliminate the singularity at the origin. The role played by the modification has been elucidated in the present study. We argue that the virial theorem is practically violated in finite-time simulations of the modified log-oscillator illustrated by a linear dependence of kinetic temperature on energy. Furthermore, as far as a thermalized log-oscillator is concerned, our calculation based on the canonical ensemble average shows that the generalized equipartition theorem is broken if the temperature is higher than a critical temperature. Finally, we show that log-oscillators fail to serve as thermostats for their incapability of maintaining a nonequilibrium steady state even though their energy is appropriately assigned.Kai ChenDahai HeHong ZhaoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Kai Chen Dahai He Hong Zhao Violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat
description	Abstract A logarithmic oscillator has been proposed to serve as a thermostat recently since it has a peculiar property of infinite heat capacity according to the virial theorem. In order to examine its feasibility in numerical simulations, a modified logarithmic potential has been applied in previous studies to eliminate the singularity at the origin. The role played by the modification has been elucidated in the present study. We argue that the virial theorem is practically violated in finite-time simulations of the modified log-oscillator illustrated by a linear dependence of kinetic temperature on energy. Furthermore, as far as a thermalized log-oscillator is concerned, our calculation based on the canonical ensemble average shows that the generalized equipartition theorem is broken if the temperature is higher than a critical temperature. Finally, we show that log-oscillators fail to serve as thermostats for their incapability of maintaining a nonequilibrium steady state even though their energy is appropriately assigned.
format	article
author	Kai Chen Dahai He Hong Zhao
author_facet	Kai Chen Dahai He Hong Zhao
author_sort	Kai Chen
title	Violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat
title_short	Violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat
title_full	Violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat
title_fullStr	Violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat
title_full_unstemmed	Violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat
title_sort	violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/f81dbbb92754430fbd4441837a1210ef
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Violation of the virial theorem and generalized equipartition theorem for logarithmic oscillators serving as a thermostat

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