English

Stochastic dynamics and thermodynamics around a metastable state based on the linear Dean-Kawasaki equation

Statistical Mechanics 2018-12-10 v1 Soft Condensed Matter Mathematical Physics math.MP

Abstract

The Dean-Kawasaki equation forms the basis of the stochastic density functional theory (DFT). Here it is demonstrated that the Dean-Kawasaki equation can be directly linearized in the first approximation of the driving force due to the free energy functional F[ρ]F[\rho] of an instantaneous density distribution ρ\rho, when we consider small density fluctuations around a metastable state whose density distribution ρ\rho^* is determined by the stationary equation δF[ρ]/δρρ=ρ=μ\delta F[\rho]/\delta \rho|_{\rho=\rho^*}=\mu with μ\mu denoting the chemical potential. Our main results regarding the linear Dean-Kawasaki equation are threefold. First, (i) the corresponding stochastic thermodynamics has been formulated, showing that the heat dissipated into the reservoir is negligible on average. Next, (ii) we have developed a field theoretic treatment combined with the equilibrium DFT, giving an approximate form of F[ρ]F[\rho] that is related to the equilibrium free energy functional. Accordingly, (iii) the linear Dean-Kawasaki equation, which has been reduced to a tractable form expressed by the direct correlation function, allows us to compare the stochastic dynamics around metastable and equilibrium states, particularly in the Percus-Yevick hard sphere fluids; we have found that the metastable density is larger and the effective diffusion constant in the metastable state is smaller than the equilibrium ones in repulsive fluids.

Keywords

Cite

@article{arxiv.1812.02951,
  title  = {Stochastic dynamics and thermodynamics around a metastable state based on the linear Dean-Kawasaki equation},
  author = {Hiroshi Frusawa},
  journal= {arXiv preprint arXiv:1812.02951},
  year   = {2018}
}

Comments

accepted for publication in J. Phys. A