TY - JOUR
T1 - Nonequilibrium thermodynamics and nose-hoover dynamics
AU - Esposito, Massimiliano
AU - Monnai, Takaaki
PY - 2011/5/12
Y1 - 2011/5/12
N2 - 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.
AB - 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.
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U2 - 10.1021/jp104780z
DO - 10.1021/jp104780z
M3 - Article
C2 - 21053926
AN - SCOPUS:79958211536
SN - 1520-6106
VL - 115
SP - 5144
EP - 5147
JO - Journal of Physical Chemistry B Materials
JF - Journal of Physical Chemistry B Materials
IS - 18
ER -