Dense sphere packings from optimized correlation functions.
Elementary smooth functions (beyond contact) are employed to construct pair correlation functions that mimic jammed disordered sphere packings. Using the g_{2} -invariant optimization method of Torquato and Stillinger [J. Phys. Chem. B 106, 8354 (2002)], parameters in these functions are optimized under necessary realizability conditions to maximize the packing fraction varphi and average number of contacts per sphere Z . A pair correlation function that incorporates the salient features of a disordered packing and that is smooth beyond contact is shown to permit a varphi of 0.6850: this value represents a 45% reduction in the difference between the maximum for congruent hard spheres in three dimensions, pi/sqrt[18] approximately 0.7405 and 0.64, the approximate fraction associated with maximally random jammed packings in three dimensions. We show that, surprisingly, the continued addition of elementary functions consisting of smooth sinusoids decaying as r;{-4} permits packing fractions approaching pi/sqrt[18] . A translational order metric is used to discriminate between degrees of order in the packings presented. We find that to achieve higher packing fractions, the degree of order must increase, which is consistent with the results of a previous study [Torquato, Phys. Rev. Lett. 84, 2064 (2000)].
Hopkins
Adam B
AB
Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA.
Stillinger
Frank H
FH
Torquato
Salvatore
S