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arXiv · 1503.07607

Equilibrium free energy differences at different temperatures from a single set of nonequilibrium transitions

Puneet Kumar Patra·Baidurya Bhattacharya
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Abstract

Crook's Fluctuation Theorem and Jarzynski equality are immensely powerful tools in obtaining equilibrium properties through non-equilibrium transition between two equilibrium states. In this letter, we propose an extension to the Crook's fluctuation theorem for transition between two non-equilibrium steady states (NESS). Using the proposed theorem, we show that it is possible to obtain free energy differences of multiple equilibrium states from a single set of data obtained from the transition between two NESS. The results are verified using numerical simulations by employing Nose-Hoover dynamics and a single dimensional $\phi^4$ chain. The equations are cast in a manner that makes it possible to do experimental verification. The proposed method can provide free-energy difference for a range of temperature, and consequently is much faster than either the Jarzynski equality or the Crooks's fluctuation theorem.

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Puneet Kumar Patra, Baidurya Bhattacharya. 2015-03-26. Equilibrium free energy differences at different temperatures from a single set of nonequilibrium transitions. https://doi.org/10.1103/physreve.94.040101

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