English

Divergent Fluctuations from a 2D Infrared Catastrophe

Statistical Mechanics 2026-04-14 v2 Materials Science Computational Physics

Abstract

Molecular simulations of interfacial polar media routinely employ periodic boundary conditions parallel to the interface. We show that this lateral periodicity introduces a spatially uniform in-plane mode (q=0q_{\parallel}=0) that is unscreened because every lateral replica carries identical charge fluctuations. This 2D mode reduces the plane-averaged potential to a stochastic integral of the plane-averaged charge density along zz, so that in a semi-infinite slab the variance of the potential grows linearly with depth. In a finite or periodic cell along zz, with boundaries held at fixed potential, it follows a parabolic profile--a Brownian bridge--pinned to zero at both ends, with amplitude inversely proportional to the lateral cell area. These diverging fluctuations are a pure artifact of the imposed 2D lateral periodicity: they remain bounded in systems that are non-periodic or of finite lateral extent. We provide an analytic expression for their magnitude in dipolar media, yielding a practical criterion for the choice of lateral cell dimensions.

Keywords

Cite

@article{arxiv.2601.09009,
  title  = {Divergent Fluctuations from a 2D Infrared Catastrophe},
  author = {Richard G. Hennig and Clotilde S. Cucinotta},
  journal= {arXiv preprint arXiv:2601.09009},
  year   = {2026}
}
R2 v1 2026-07-01T09:03:34.483Z