SciPost Physics

SciPost Phys. 12, 133 (2022) · published 20 April 2022

• doi: 10.21468/SciPostPhys.12.4.133
• pdf
• BiBTeX
• RIS
• Submissions/Reports
• 

Abstract

We study the dynamical decay of the van Hove function of Brownian hard spheres using event-driven Brownian dynamics simulations and dynamic test particle theory. Relevant decays mechanisms include deconfinement of the self particle, decay of correlation shells, and shell drift. Comparison to results for the Lennard-Jones system indicates the generality of these mechanisms for dense overdamped liquids. We use dynamical density functional theory on the basis of the Rosenfeld functional with self interaction correction. Superadiabatic forces are analysed using a recent power functional approximation. The power functional yields a modified Einstein long-time self diffusion coefficient in good agreement with simulation data.

• te Vrugt et al., Perspective: New directions in dynamical density functional theory
  J. Phys.: Condens. Matter 35, 041501 (2023) [Crossref]
• Tschopp et al., Force density functional theory in- and out-of-equilibrium
  Phys. Rev. E 106, 014115 (2022) [Crossref]
• Sammüller et al., Neural density functionals: Local learning and pair-correlation matching
  Phys. Rev. E 110, L032601 (2024) [Crossref]
• de las Heras et al., Perspective: How to overcome dynamical density functional theory
  J. Phys.: Condens. Matter 35, 271501 (2023) [Crossref]