Extraction of the One-Component Plasma Bridge Function from Computer Simulation Data

1987 ◽  
pp. 35-39
Author(s):  
P. D. Poll ◽  
N. W. Ashcroft
Keyword(s):  
Computer Simulation ◽  
Simulation Data ◽  
Bridge Function ◽  
Component Plasma ◽  
Computer Simulation Data ◽  
The One

The bridge function of hard spheres by direct inversion of computer simulation data

2002 ◽  
Vol 100 (16) ◽  
pp. 2629-2640 ◽  
Author(s):  
JIŘÍ KOLAFA ◽  
STANISLAV LABÍK ◽  
ANATOL MALIJEVSKÝ
Keyword(s):  
Computer Simulation ◽  
Hard Spheres ◽  
Simulation Data ◽  
Bridge Function ◽  
Direct Inversion ◽  
Computer Simulation Data

An accurate analytical representation of the bridge function of hard spheres and a question of existence of a general closure to the Ornstein–Zernike equation

2010 ◽  
Vol 76 (1) ◽  
pp. 51-64 ◽  
Author(s):  
Magda Francová ◽  
Anatol Malijevský ◽  
Stanislav Labík ◽  
Jiří Kolafa
Keyword(s):  
Hard Sphere ◽  
Pair Distribution Function ◽  
Hard Spheres ◽  
Interparticle Distance ◽  
Analytical Representation ◽  
Simulation Data ◽  
Bridge Function ◽  
Hard Sphere Fluid ◽  
Computer Simulation Data ◽  
The One

The bridge function of hard spheres is accurately calculated from computer simulation data on the pair distribution function via the inverted Ornstein–Zernike equation at reduced densities ρ* ≡ Nσ3/V ranging from 0.2 to 1.02, i.e. from low densities through densities in a vicinity of the phase transition to crystal to densities of metastable fluid region. The data are used to propose an analytical representation of the bridge function as a function of the interparticle distance and density. They are further used to construct the so-called Duh– Haymet plot. It is demonstrated that a “general closure” to the Ornstein–Zernike equation in the form B(r) = f[γ(r)], where γ is the indirect (or series) correlation function, does not match the data. Nor does an extended closure B(r) = f[γ(r),ρ*] even in the simplest case of the one component hard sphere fluid. A relative success of literature closures to the Ornstein–Zernike equation is discussed.

Ion modes in strongly coupled two-component plasmas

1993 ◽  
Vol 50 (3) ◽  
pp. 359-367 ◽  
Author(s):  
M. A. Berkovsky
Keyword(s):  
Computer Simulation ◽  
Hydrodynamic Model ◽  
Simulation Data ◽  
Frequency Spectra ◽  
Strongly Coupled ◽  
Transverse Modes ◽  
Two Component ◽  
Computer Simulation Data

A generalized hydrodynamic model is used to evaluate the frequency spectra of longitudinal and transverse modes in dense strongly coupled two-component plasmas. The results are compared with available computer simulation data.

scholarly journals Microscopic origin of the scattering pre-peak in aqueous propylamine mixtures: X-ray and neutron experiments versus simulations

2019 ◽  
Vol 21 (18) ◽  
pp. 9317-9325 ◽  
Author(s):  
László Almásy ◽  
Alexander I. Kuklin ◽  
Martina Požar ◽  
Anthony Baptista ◽  
Aurélien Perera
Keyword(s):  
Computer Simulation ◽  
Neutron Scattering ◽  
Simulation Data ◽  
X Ray ◽  
Computer Simulation Data ◽  
Microscopic Origin

The structure of aqueous propylamine mixtures is investigated through X-ray and neutron scattering experiments, and the scattered intensities compared with computer simulation data.

Structure of hard body fluids. A critical compilation of selected computer simulation data

1989 ◽  
Vol 54 (5) ◽  
pp. 1137-1202 ◽  
Author(s):  
Ivo Nezbeda ◽  
Stanislav Labík ◽  
Anatol Malijevský
Keyword(s):  
Computer Simulation ◽  
Correlation Function ◽  
Hard Spheres ◽  
Pair Correlation ◽  
Body Fluids ◽  
Simulation Data ◽  
Computer Simulation Data ◽  
Expansion Coefficients ◽  
Triplet Correlation ◽  
Triplet Correlation Function

Computer simulation data on structural properties [spherical harmonic expansion coefficients of the full pair correlation function g(1,2), radial slices through g(1,2), the background correlation function y(1,2), and the triplet correlation function (for hard spheres), various angle averages of g(1,2) and, for hard spheres, also the direct correlation and bridge functions] of pure hard body fluids known to date have been critically assessed and tables of selected data are presented. In addition to the tables, parametrizations of the data are also given whenever they have been available. The molecular models considered include both convex body models (spheres and prolate spherocylinders) and interaction -site models (homo- and heteronuclear diatomics, linear and nonlinear symmetric triatomics, and tetrahedral penta-atomics).

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