Lubachevsky–Stillinger algorithm

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Lubachevsky-Stillinger (compression) algorithm (LS algorithm, LSA, or LS protocol) is a numerical procedure that simulates or imitates a physical process of compressing an assembly of hard particles. As the LSA may need thousands of arithmetic operations even for a few particles, it is usually carried out on a digital computer. A real physical process of compression often involves a contracting hard boundary of the container, such as a piston pressing against the particles. The LSA is able to simulate just such a scenario [1] [2] . However, the LSA was firstly introduced [3] [4] in the setting with periodic boundary conditions where the virtual particles are compressed by "swelling" or expanding in a fixed, final virtual volume without hard boundary. The absolute sizes of the particles are increasing but particle-to-particle relative sizes remain constant. As a result, in a final, compressed, or "jammed" state, some particles, the so-called "rattlers," turn out not to be jammed. Rattlers are mobile within "cages" formed by their immobile, jammed neighbors and the boundary, if any. A substantial limitation of the original LS protocol is that it was designed to practically work only for spherical particles, though the spheres may be of different sizes [5]. Any deviation from the spherical (or circular in two dimensions) shape, even a simplest one, when spheres are replaced with ellipsoids (or ellipses in two dimensions) [6] , causes thus modified LSA to slow down dramatically [7] . But as long as the shape is spherical, the LSA is able to handle particle ensembles in tens to hundreds of thousands on today's (2011) standard personal computers. Only a very limited experience was reported [8] in using the LSA in dimensions higher than 3.

References

  1. ^ Boris D. Lubachevsky and Frank H. Stillinger, Epitaxial frustration in deposited packings of rigid disks and spheres. Physical Review E 70:44, 41604 (2004) http://arxiv.org/PS_cache/cond-mat/pdf/0405/0405650v5.pdf
  2. ^ Crystalline-Amorphous Interface Packings for Disks and Spheres, F. H. Stillinger and B. D. Lubachevsky, J. Stat. Phys. 73, 497-514 (1993)
  3. ^ B. D. Lubachevsky and F. H. Stillinger, Geometric properties of random disk pack- ings, J. Statistical Physics 60 (1990), 561-583
  4. ^ B.D. Lubachevsky, How to Simulate Billiards and Similar Systems, Journal of Computational Physics Volume 94 Issue 2, May 1991 http://arxiv.org/PS_cache/cond-mat/pdf/0503/0503627v2.pdf
  5. ^ Computer Generation of Dense Polydisperse Sphere Packings, | A.R. Kansal, S. Torquato, and F.H. Stillinger, J. Chem. Phys. 117, 8212-8218 (2002)
  6. ^ Unusually Dense Crystal Packings of Ellipsoids, A. Donev, F.H. Stillinger, P.M. Chaikin, and S. Torquato, Phys. Rev. Letters 92, 255506 (2004)
  7. ^ http://www.pack-any-shape.com
  8. ^ Packing Hyperspheres in High-Dimensional Euclidean Spaces," M. Skoge, A. Donev, F.H. Stillinger, and S. Torquato, Phys. Rev. E 74, 041127 (2006)