Local measures of fluctuations in inhomogeneous liquids : statistical mechanics and illustrative applications

Title data

Eckert, Tobias ; Stuhlmüller, Nico C. X. ; Sammüller, Florian ; Schmidt, Matthias:
Local measures of fluctuations in inhomogeneous liquids : statistical mechanics and illustrative applications.
In: Journal of Physics: Condensed Matter. Vol. 35 (2023) Issue 42 . - 425102.
ISSN 1361-648X
DOI: https://doi.org/10.1088/1361-648X/ace50c

Official URL:

Abstract in another language

We show in detail how three one-body fluctuation profiles, namely the local compressibility, the local thermal susceptibility, and the reduced density, can be obtained from a statistical mechanical many-body description of classical particle-based systems. We present several different and equivalent routes to the definition of each fluctuation profile, facilitating their explicit numerical calculation in inhomogeneous equilibrium systems. This underlying framework is used for the derivation of further properties such as hard wall contact theorems and novel types of inhomogeneous one-body Ornstein–Zernike equations. The practical accessibility of all three fluctuation profiles is exemplified by grand canonical Monte Carlo simulations that we present for hard sphere, Gaussian core and Lennard–Jones fluids in confinement.

Further data

Item Type:	Article in a journal
Refereed:	Yes
Keywords:	classical density functional theory; liquid structure; Ornstein–Zernike relation; statistical mechanics; grand canonical; Monte Carlo simulations
Institutions of the University:	Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics II > Chair Theoretical Physics II - Univ.-Prof. Dr. Matthias Schmidt Faculties Faculties > Faculty of Mathematics, Physics und Computer Science Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics II
Result of work at the UBT:	Yes
DDC Subjects:	500 Science > 530 Physics
Date Deposited:	30 Mar 2024 22:00
Last Modified:	02 Apr 2024 12:57
URI:	https://eref.uni-bayreuth.de/id/eprint/89105