Superadiabatic Dynamical Density Functional Theory for One-Dimensional Brownian Hard-Rod Fluids
Abstract
We study the relaxation dynamics of a one-dimensional system of hard rods at the level of one-body fields using superadiabatic dynamical density functional theory, and compare the results with Brownian dynamics simulations. The theory uses the exact equilibrium excess free energy functional and incorporates superadiabatic effects from first principles via an adiabatic closure relation at the three-particle level. The predicted superadiabatic response shows very good agreement with simulation data, provided that initial-state ensemble differences between theory and simulations remain small. Furthermore, we evaluate an approximate power functional theory based on a velocity-gradient expansion, which also yields an accurate superadiabatic response, although requiring a memory kernel extracted from simulation data.
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BibTeX
@misc{weimar2026superadiabatic,
title = {{Superadiabatic Dynamical Density Functional Theory for One-Dimensional Brownian Hard-Rod Fluids}},
author = {Jens Weimar and Daniel de las Heras and Martin Oettel},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.29838},
eprint = {2609.29838},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.29838},
}
RIS
TY - UNPB
TI - Superadiabatic Dynamical Density Functional Theory for One-Dimensional Brownian Hard-Rod Fluids
AU - Jens Weimar
AU - Daniel de las Heras
AU - Martin Oettel
PY - 2026
DA - 2026/09/24
PB - arXiv
DO - 10.48550/arxiv.2609.29838
UR - https://arxiv.org/abs/2609.29838
AB - We study the relaxation dynamics of a one-dimensional system of hard rods at the level of one-body fields using superadiabatic dynamical density functional theory, and compare the results with Brownian dynamics simulations. The theory uses the exact equilibrium excess free energy functional and incorporates superadiabatic effects from first principles via an adiabatic closure relation at the three-particle level. The predicted superadiabatic response shows very good agreement with simulation data, provided that initial-state ensemble differences between theory and simulations remain small. Furthermore, we evaluate an approximate power functional theory based on a velocity-gradient expansion, which also yields an accurate superadiabatic response, although requiring a memory kernel extracted from simulation data.
ER -