Random packings and the structure of simple liquids. I. The geometry of random close packing

In his Bakerian Lecture, Bernal (1964) discussed those ideas of restricted irregularity which are physically realized in random packings of equal hard spheres, with particular reference to the structure of simple liquids. He stressed the need for a science of ‘statistical geometry ’, and took the first steps himself by proposing possible ways of describing such arrays. In this paper, these and other associated ideas are briefly described and extended by deriving an equivalent set of polyhedral subunits essentially inverse to the packing in real space. Examination of two independent high density arrays demonstrates the repro-ducibility of certain metrical and topological properties of these polyhedra, and their correlations over larger elements of volume. As a result, several possible ‘descriptive parameters’ are proposed. Although these essentially ‘numerical’ characteristics facilitate sensitive structural descriptions of any assembly of micro- and macroscopic subunits, we are still unable to characterize an irregular array in formal mathematical terms. Such a formulation of statistical geometry could be a powerful tool for tackling important problems in many branches of science and engineering.

Machine calculations by Monte Carlo methods enable us to simulate real liquids in real space, and to reproduce the thermodynamic properties of a real liquid assembly. On the basis of the geometrical descriptions of part I, the structures of these simulated arrays are compared with the random packing. The results demonstrate the essential validity of Bernal’s concept of the liquid state; moreover, by artificially hardening the interaction potential, we can throw light upon the structural differences between real and idealized systems.


1987 ◽  
Vol 52 (7) ◽  
pp. 1652-1657 ◽  
Author(s):  
Grigorii V. Gadiyak ◽  
Yurii N. Morokov ◽  
Mojmír Tomášek

Total energy calculations of three- and four-atomic silver clusters have been performed by the spin-polarized version of the CNDO/2 method to get the most stable equilibrium geometries, atomization energies, and charge and spin distribution on the atoms for three different basis sets: {s}, {sp}, and {spd}. When viewed from the equilateral triangle and square geometries, the last electronic configuration, i.e. the {spd} one, appears to be most stable with respect to the geometrical deformations considered. In this case, the behaviour of the atoms of both clusters resembles that of hard spheres (i.e. close-packing).


2018 ◽  
Vol 4 (6) ◽  
Author(s):  
Thibaud Maimbourg ◽  
Mauro Sellitto ◽  
Guilhem Semerjian ◽  
Francesco Zamponi

Packing spheres efficiently in large dimension dd is a particularly difficult optimization problem. In this paper we add an isotropic interaction potential to the pure hard-core repulsion, and show that one can tune it in order to maximize a lower bound on the packing density. Our results suggest that exponentially many (in the number of particles) distinct disordered sphere packings can be efficiently constructed by this method, up to a packing fraction close to 7 \, d \, 2^{-d}7d2−d. The latter is determined by solving the inverse problem of maximizing the dynamical glass transition over the space of the interaction potentials. Our method crucially exploits a recent exact formulation of the thermodynamics and the dynamics of simple liquids in infinite dimension.


1989 ◽  
Vol 30 (2) ◽  
pp. 253-260 ◽  
Author(s):  
N. N. Medvedev ◽  
V. P. Voloshin ◽  
Yu. I. Naberukhin

Nature ◽  
1969 ◽  
Vol 224 (5219) ◽  
pp. 550-553 ◽  
Author(s):  
R. H. BERESFORD

2011 ◽  
Vol 667 ◽  
pp. 403-425 ◽  
Author(s):  
W. TODD GILLELAND ◽  
SALVATORE TORQUATO ◽  
WILLIAM B. RUSSEL

The sedimentation velocity of colloidal dispersions is known from experiment and theory at dilute concentrations to be quite sensitive to the interparticle potential with attractions/repulsions increasing/decreasing the rate significantly at intermediate volume fractions. Since the differences necessarily disappear at close packing, this implies a substantial maximum in the rate for attractions. This paper describes the derivation of a robust upper bound on the velocity that reflects these trends quantitatively and motivates wider application of a simple theory formulated for hard spheres. The treatment pertains to sedimentation velocities slow enough that Brownian motion sustains an equilibrium microstructure without large-scale inhomogeneities in density.


1991 ◽  
Vol 73 (4) ◽  
pp. 917-936 ◽  
Author(s):  
Yu. I. Naberukhin ◽  
V.P. Voloshin ◽  
N.N. Medvedev

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