Simulation and statistical analysis of random packings of ellipsoids

Particle and Particle Systems Characterization

Volumn 23, Issue 5, 2007, Pages 388-398

  Bezrukov, Alexander ^a   Stoyan, Dietrich ^a  

^a TU BERGAKADEMIE FREIBERG   (Germany)

Author keywords

Ellipsoids; Random packing; Simulation; Statistical analysis

Indexed keywords

ALGORITHMS; ASPECT RATIO; COMPUTER SIMULATION; CORRELATION METHODS; PHASE DIAGRAMS;

ELLIPSOIDS; RANDOM PACKING; SPHERICAL PARTICLES;

PACKING;

EID: 33847707007     PISSN: 09340866     EISSN: 15214117     Source Type: Journal    
DOI: 10.1002/ppsc.200600974     Document Type: Article

References (42)

1. M. Gan, N. Gopinathan, X. Jia, R. A. Williams, Predicting packing characteristics of particles of arbitrary shapes. KONA 2004, 22, 82-93.
2. A. K. H. Kwan, C. F. Mora, Effects of various shape parameters on packing of aggregate particles. Magazine Concrete Res. 2001, 53, 91-100.
3. J.-P. Latham, A. Munjiza, Y. Lu, On the prediction of void porosity and packing of rock particulates. Powder Technol. 2002, 125, 10-27.
4. J.-P. Latham, Y. Lu, A. Munjiza, A random method for simulation of loose packing of angular particles using tetrehedra. Géotechnique 2001, 57, 871-879.
5. S. R. Williams, A. P. Philipse, Random packing of spheres and spherocylinders simulated by mechanical contraction. Phys. Rev. 2003, E67, 051301-1-051301-9.
6. J. E. Marko, Liquid Crystals, in: D. Henderson (ed.): Fundamentals of Inhomogeneous Fluids. Dekker, New York, 1992, p. 443.
7. D. Frenkel, B. M. Mulder, J. P. McTague, Phase diagram of a system of hard ellipsoids. Phys. Rev. Lett. 1984, 52, 287-290.
8. D. Frenkel, B. M. Mulder, The hard ellipsoid-of-revolution fluid I. Monte Carlo simulations. Mol. Phys. 1985, 55, 1171-1192.
9. M. P. Allen, M. R. Wilson, Computer simulation of liquid crystals. J. Computer Aided Molecular Design 1989, 3, 335-353.
10. M. P. Allen, G. T. Evans, D. Frenkel, B. Mulder, Hard convex body fluids. Adv. Chem. Phys. 1993, 86, 1-166.
11. A. G. Samborski, G. T. Evans, C. P. Mason, M. P. Allen, The isotropic to nematic liquid crystal transition for hard ellipsoids: an Onsager-like theory and computer simulations. Molecular Physics 1994, 81, 263-276.
12. M. P. Allen, C. P. Mason, Stability of the nematic phase for the hard ellipsoid fluid. Molecular Physics 1995, 86, 467-474.
13. P. J. Camp, C. P. Mason, M. P. Allen, A. A. Khare, D. A. Kofke, The isotropic-nematic phase transition in uniaxial hard ellipsoid fluids: co-existence data and the approach to the Onsager limit. J. Chem. Phys. 1996, 105, 2837-2849.
14. F. Schmid, N. H. Phuong, Spatial order in liquid crystals: Computer simulations of systems of ellipsoids (edited by K. Mecke, D. Stoyan), Springer Lecture Notes in Physics, 2002, pp. 172-186.
15. Cinacchi, F. Schmid, Density functional for anisotropic fluids. J. Physics: Condensed Matter 2002, 14, 12223-12234.
16. J. W. Perram, J. Rasmussen, E. Praestgaard, J. L. Lebowitz, Ellipsoid contact potential: theory and relation to overlap potentials. Phys. Rev. E 1996, 54, 6565-6572.
17. J. W. Perram, M. S. Wertheim, Statistical mechanics of hard ellipsoids. I. Overlap algorithm and the contact function. J. Comput. Phys. 1985, 58, 409-416.
18. J. W. Perram, M. S. Wertheim, J. L. Lebowitz, G. O. Williams, Monte Carlo simulation of hard spheroids. Chem. Phys. Lett. 1984, 105, 277-280.
19. A. Donev, I. Cisse, D. Sachs, E. A. Variano, F. H. Stillinger, R. Conelly, S. Torquato, P. M. Chalkin, Improving the density of jammed disordered packing using ellipsoids. Science 2004, 303, 990-993.
20. W. S. Jodrey, E. M. Tory, Computer simulation of isotropic, homogeneous, dense random packing of equal spheres. Powder Technol. 1981, 30, 111-118.
21. L. Th. To, Z. H. Stachurski, Random close packing of spheres in a round cell. Non-crystalline Solids 2004, 333, 161-171.
22. B. D. Lubachevsky, F. H. Stillinger, Geometric properties of random disk packing. J. Stat. Phys. 1990, 60, 561-583.
23. B. D. Lubachevsky, F. H. Stillinger, E. N. Pinson, Disks vs. spheres: contrasting properties of random packing. J. Stat. Phys. 1991, 64, 501-524.
24. A. Kansal, S. Torquato, F. H. Stillinger, Computer generation of dense polydisperse packing. J. Chem. Phys. 2002, 117, 8212-8218.
25. W. S. Jodrey, E. M. Tory, Computer simulation of close random packings of equal spheres. Phys. Rev. A 1985, 32, 2347-2351.
26. J. Moscinski, M. Bargiel, Z. A. Rycerz, P. W. M. Jacobs, The force-biased algorithm for the irregular close packing of equal hard spheres. Molecular Simulation 1989, 3, 201-212.
27. A. Bezrukov, M. Bargiel, D. Stoyan, Statistical analysis of simulated random packing of spheres. Part. Part. Syst. Charact. 2002, 19, 111-118.
28. A. S. Clarke, J. D. Wiley, Numerical simulation of the dense random packing of a binary mixture of hard spheres: amorphous metals. Phys. Rev. B 1987, 35, 7350-7356.
29. T. M. Truskett, S. Torquato, S. Sastry, P. G. Debenedetti, F. Stillinger, Structural precursor to freezing in the hard-disk and hard-sphere systems. Phys. Rev. E 1998, 58, 3083-3088.
30. N. H. Phuong, F. Schmid, Local structure in nematic and isotropic liquid crystals. J. Chem. Phys. 2003, 119, 1214-1222.
31. A. Donev, F. H. Stillinger, P. M. Chalkin, S. Torquato, Unusually dense crystal packing of ellipsoids. Phys. Rev. Lett. 2004, 92, 255506-1-255506-4.
32. R. Berardi, C. Fava, C. Zannoni, A generalized GayBerne intermolecular potential for biaxial particles. Chem. Phys. Lett. 1995, 236, 462-468.
33. B. J. Berne, P. Pechukas, Gaussian model potentials for moleculat interactions. J. Chem. Phys. 1972, 56, 4213-4216.
34. S. Torquato, Random Heterogeneous Materials. Microstructure and Macroscopic Properties. Springer, New York 2002.
35. J. P. Hansen, I. R. McDonald, Theory of Simple Liquids. Academic Press, London 1986.
36. D. Stoyan, H. Stoyan, Fractals, Random Shapes and Point Fields. Wiley, Chichester 1994.
37. R. J. Low, Measuring order and biaxiality. Eur. J. Phys. 2002, 23, 111-117.
38. P. G. de Gennes, J. Prost, The Physics of Liquid Crystals. 2nd edn. Clarendon Press, Oxford 1995.
39. D. Frenkel, R. Eppenga, Monte Carlo study of the isotropic-nematic transition in a fluid of thin hard disks. Phys. Rev. Letters 1982, 49, 1089-1092.
40. P. J. Camp, C. P. Mason, M. P. Allen, A. A. Khare, D. A. Kofke, The isotropic-nematic phase transition in uniaxial hard ellipsoid fluids: co-existence data and the approach to the Onsager limit. J. Chem. Phys. 1996, 105, 2837-2849.
41. B. Groh, S. Dietrich, Orientational order in dipolar fluids consisting of non-spherical hard particles. Phys. Rev. E 1997, 55, 2892-2901.
42. M. Letz, R. Schilling, A. Latz, Ideal glass transitions for hard ellipsoids. Phys. Rev. E 2000, 62, 5173-5178.