This paper addresses one of the fundamental questions in the theory of hard-disk packings—how order within a system relates to packing density. The algorithm presented is a seed-based, growth protocol in which new disks are added sequentially to the surface of a growing cluster. The angular position of the new disk is chosen based on the minimization of an objective function designed to control order, as measured by the global bond-orientational order parameter which varies between 0 and 1 (with 1 indicating perfect hexagonal close-packed order). Modifying the objective function allows the final packing fraction to be biased while maintaining tight control over Inside of the range the targeted order parameter is achieved to within two decimal places of accuracy. Furthermore, it is found that random structures can be generated with packing fractions in the range Interestingly, the algorithm can produce nonequilibrium hard-disk configurations that are considerably more disordered than those typical of the equilibrium fluid.
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22 September 2000
Research Article|
September 22 2000
Nonequilibrium hard-disk packings with controlled orientational order
Anuraag R. Kansal;
Anuraag R. Kansal
Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544
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Thomas M. Truskett;
Thomas M. Truskett
Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544
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Salvatore Torquato
Salvatore Torquato
Department of Chemistry and Princeton Materials Institute, Princeton, New Jersey 08544
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Anuraag R. Kansal
Thomas M. Truskett
Salvatore Torquato
Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544
J. Chem. Phys. 113, 4844–4851 (2000)
Article history
Received:
November 04 1999
Accepted:
June 26 2000
Citation
Anuraag R. Kansal, Thomas M. Truskett, Salvatore Torquato; Nonequilibrium hard-disk packings with controlled orientational order. J. Chem. Phys. 22 September 2000; 113 (12): 4844–4851. https://doi.org/10.1063/1.1289238
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