English

Finite-size excess-entropy scaling for simple liquids

Soft Condensed Matter 2023-06-07 v1 Statistical Mechanics

Abstract

We introduce and validate a finite-size two-body excess entropy integral equation. By using analytical arguments and computer simulations of prototypical simple liquids, we show that the excess entropy s2s_2 exhibits a finite-size scaling with the inverse of the linear size of the simulation box. Since the self-diffusivity coefficient DD^* displays a similar finite-size effect, we show that the scaling entropy relation D=Aexp(αs2)D^*=A\exp(\alpha s_2) also depends on the simulation box size. By extrapolating to the thermodynamic limit, we report values for the coefficients AA and α\alpha that agree well with values available in the literature. Finally, we find a power law relation between the scaling coefficients for DD^* and s2s_2, suggesting a constant viscosity to entropy ratio.

Keywords

Cite

@article{arxiv.2301.05063,
  title  = {Finite-size excess-entropy scaling for simple liquids},
  author = {Mauricio Sevilla and Atreyee Banerjee and Robinson Cortes-Huerto},
  journal= {arXiv preprint arXiv:2301.05063},
  year   = {2023}
}
R2 v1 2026-06-28T08:10:19.793Z