Erratum: “Computer simulations of dense hard-sphere systems” [J. Chem. Phys. 105, 9258 (1996)]

1997 ◽  
Vol 107 (7) ◽  
pp. 2698-2698 ◽  
Author(s):  
M. D. Rintoul ◽  
S. Torquato
Keyword(s):  
Computer Simulations ◽  
Hard Sphere ◽  
Chem Phys

Flow heterogeneity and correlations in a sheared hard sphere glass: Insight from computer simulations

2013 ◽  
Author(s):  
Suvendu Mandal ◽  
Markus Gross ◽  
Dierk Raabe ◽  
Fathollah Varnik
Keyword(s):  
Computer Simulations ◽  
Hard Sphere ◽  
Flow Heterogeneity

scholarly journals Erratum: “Hard sphere radial distribution function again” [J. Chem. Phys. 123, 024501 (2005)]

2006 ◽  
Vol 124 (14) ◽  
pp. 149902 ◽  
Author(s):  
Andrij Trokhymchuk ◽  
Ivo Nezbeda ◽  
Jan Jirsák ◽  
Douglas Henderson
Keyword(s):  
Distribution Function ◽  
Radial Distribution Function ◽  
Radial Distribution ◽  
Hard Sphere ◽  
Chem Phys

Density profiles of fluids in some special symmetries

1995 ◽  
Vol 73 (7-8) ◽  
pp. 432-439 ◽  
Author(s):  
Seong-Chan Lee ◽  
Zi-Hong Yoon ◽  
Soon-Chul Kim
Keyword(s):  
Free Energy ◽  
Computer Simulations ◽  
Hard Sphere ◽  
Density Functional ◽  
Energy Functional ◽  
Empirical Method ◽  
Density Profiles ◽  
Functional Approximation ◽  
Free Energy Functional ◽  
Lennard Jones

A free-energy-functional approximation based on a semi-empirical method is proposed. The main advantage of the free-energy-functional approximation is its accuracy compared with other models and its relative simplicity compared with other well-known weighted-density approximations. The free-energy-functional approximation is applied to predict the density profiles of the hard-sphere fluids and the Lennard–Jones fluids in some special symmetries. For the density profiles near a hard flat wall, the results reproduced the hard-sphere oscillatory structures qualitatively and quantitatively. For the density profiles of hard-sphere fluids confined in a spherical cage, the results are also in a fair agreement with the computer simulations. For Lennard–Jones fluids, two kinds of density-functional perturbation theories, the density-functional mean-field theory (DFMFT) and the density-functional perturbation theory (DFPT), examined. The results show that at higher temperature the DFPT compares well with computer simulations. However, the agreement deteriorates slightly as the temperature of the Lennard–Jones fluids is reduced. These results demonstrate that both the free-energy-functional approximation and the DFPT succesfully describe the inhomogeneous properties of classical fluids.

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