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Packing of nonoverlapping cubic particles: Computational algorithms and microstructural characteristics

Malmir, H ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: 10.1103/PhysRevE.94.062901
  3. Publisher: American Physical Society
  4. Abstract:
  5. Packing of cubic particles arises in a variety of problems, ranging from biological materials to colloids and the fabrication of new types of porous materials with controlled morphology. The properties of such packings may also be relevant to problems involving suspensions of cubic zeolites, precipitation of salt crystals during CO2 sequestration in rock, and intrusion of fresh water in aquifers by saline water. Not much is known, however, about the structure and statistical descriptors of such packings. We present a detailed simulation and microstructural characterization of packings of nonoverlapping monodisperse cubic particles, following up on our preliminary results [H. Malmir, Sci. Rep. 6, 35024 (2016)2045-232210.1038/srep35024]. A modification of the random sequential addition (RSA) algorithm has been developed to generate such packings, and a variety of microstructural descriptors, including the radial distribution function, the face-normal correlation function, two-point probability and cluster functions, the lineal-path function, the pore-size distribution function, and surface-surface and surface-void correlation functions, have been computed, along with the specific surface and mean chord length of the packings. The results indicate the existence of both spatial and orientational long-range order as the the packing density increases. The maximum packing fraction achievable with the RSA method is about 0.57, which represents the limit for a structure similar to liquid crystals
  6. Keywords:
  7. Aquifers ; Biological materials ; Characterization ; Crystal structure ; Hydrogeology ; Liquid crystals ; Pore size ; Porous materials ; Precipitation (chemical) ; Probability distributions ; Saline water ; Salt water intrusion ; Computational algorithm ; Micro-structural characterization ; Microstructural descriptors ; Precipitation of salts ; Radial distribution functions ; Random sequential additions ; Statistical descriptors ; Distribution functions
  8. Source: Physical Review E - Statistical, Nonlinear, and Soft Matter Physics ; Volume 94, Issue 6 , 2016 ; 15393755 (ISSN)
  9. URL: https://journals.aps.org/pre/abstract/10.1103/PhysRevE.94.062901