2005/12/06 by Jeetain Mittal, Jeffrey R. Errington, Thomas M. Truskett · 4 citations
Engineering · Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Theoretical and Computational Physics #cond-mat.mtrl-sci #cond-mat.soft #cond-mat.stat-mech
paper · pdf · doi:10.1103/physrevlett.96.177804
published as Physical Review Letters 96, 177804 (2006) · 4 pages, 4 figures
arxiv created 2005/12/06 · openalex publication_date 2006/05/05 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We study how confining the equilibrium hard-sphere fluid to restrictive one- and two-dimensional channels with smooth interacting walls modifies its structure, dynamics, and entropy using molecular dynamics and transition-matrix Monte Carlo simulations. Although confinement strongly affects local structuring, the relationships between self-diffusivity, excess entropy, and average fluid density are, to an excellent approximation, independent of channel width or particle-wall interactions. Thus, thermodynamics can be used to predict how confinement impacts dynamics.