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The Bare Diffusion Coefficient and the Peculiar Velocity\n Auto-Correlation Function

2004/02/16 by Rodney L. Varley, Varley, Rodney L. · 1 citation
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Material Dynamics and Properties #NMR spectroscopy and applications #Quantum, superfluid, helium dynamics #Statistical Mechanics (cond-mat.stat-mech) #Theoretical and Computational Physics #cond-mat.stat-mech

paper · pdf · doi:10.48550/arxiv.cond-mat/0402422

17 pages, 5 figures, 3 tables 18 pages, 5 figures, 3 tables, typos corrected, minor corrections, an additional appendix 2 comment: 18 pages, 5 figures, 3 tables, small modification of appendix 2

openalex publication_date 2004/02/16 · arxiv created 2005/03/04 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

The bare diffusion coefficient is given as the time integral of the peculiar\nvelocity autocorrelation function or PVACF and this result is different from\nthe well known Green-Kubo formula. The bare diffusion coefficient characterizes\nthe diffusion process on a length scale lambda. The PVACF is given here for the\nfirst time in terms of the positions and velocities of the N particles of the\nsystem so the PVACF is in a form suitable for evaluation by molecular dynamics\nsimulations. The computer simulations show that for the two dimensional hard\ndisk system, the PVACF decays increasingly rapidly in time as lambda is reduced\nand this is probably a general characteristic.\n

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