Nonequilibrium thermodynamics and nose-hoover dynamics

Massimiliano Esposito, Takaaki Monnai

    研究成果: Article査読

    8 被引用数 (Scopus)

    抄録

    We show that systems driven by an external force and described δiS = KbD[f(t, γ(t)) 7∥ fs (t, γs (t)) fr eq (ζ(t)] ≥ 0 by Nose-Hoover dynamics allow for a consistent nonequilibrium thermodynamics description when the thermostatted variable is initially assumed in a state of canonical equilibrium. By treating the "real" variables as the system and the thermostatted variable as the reservoir, we establish the first and second law of thermodynamics. As for Hamiltonian systems, the entropy production can be expressed as a relative entropy measuring the system-reservoir correlations established during the dynamics.

    本文言語English
    ページ(範囲)5144-5147
    ページ数4
    ジャーナルJournal of Physical Chemistry B
    115
    18
    DOI
    出版ステータスPublished - 2011 5 12

    ASJC Scopus subject areas

    • 物理化学および理論化学
    • 材料化学
    • 表面、皮膜および薄膜

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