TY - JOUR
T1 - Dissipation in monotonic and non-monotonic relaxation to equilibrium
AU - Petersen, Charlotte F.
AU - Evans, Denis J.
AU - Williams, Stephen R.
N1 - Publisher Copyright:
© 2016 AIP Publishing LLC.
PY - 2016/2/21
Y1 - 2016/2/21
N2 - Using molecular dynamics simulations, we study field free relaxation from a non-uniform initial density, monitored using both density distributions and the dissipation function. When this density gradient is applied to colour labelled particles, the density distribution decays to a sine curve of fundamental wavelength, which then decays conformally towards a uniform distribution. For conformal relaxation, the dissipation function is found to decay towards equilibrium monotonically, consistent with the predictions of the relaxation theorem. When the system is initiated with a more dramatic density gradient, applied to all particles, non-conformal relaxation is seen in both the dissipation function and the Fourier components of the density distribution. At times, the system appears to be moving away from a uniform density distribution. In both cases, the dissipation function satisfies the modified second law inequality, and the dissipation theorem is demonstrated.
AB - Using molecular dynamics simulations, we study field free relaxation from a non-uniform initial density, monitored using both density distributions and the dissipation function. When this density gradient is applied to colour labelled particles, the density distribution decays to a sine curve of fundamental wavelength, which then decays conformally towards a uniform distribution. For conformal relaxation, the dissipation function is found to decay towards equilibrium monotonically, consistent with the predictions of the relaxation theorem. When the system is initiated with a more dramatic density gradient, applied to all particles, non-conformal relaxation is seen in both the dissipation function and the Fourier components of the density distribution. At times, the system appears to be moving away from a uniform density distribution. In both cases, the dissipation function satisfies the modified second law inequality, and the dissipation theorem is demonstrated.
UR - http://www.scopus.com/inward/record.url?scp=84959423083&partnerID=8YFLogxK
U2 - 10.1063/1.4941584
DO - 10.1063/1.4941584
M3 - Article
SN - 0021-9606
VL - 144
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 7
M1 - 074107
ER -