Simulation studies of the self-assembly of cone-shaped particles.

We investigate the self-assembly of anisotropic cone-shaped particles decorated by ringlike attractive "patches". In a recent paper, we demonstrated that the self-assembled clusters, which arise due to the conical particle's anisotropic shape combined with directional attractive interactions, are precise for certain cluster sizes, resulting in a precise packing sequence of clusters of increasing sizes with decreasing cone angles (Chen et al. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 717-722). Here we explore the dependence of cluster packing on the cone angle and cooling rate and discuss the "stability" and "metastability" of the resulting structures as well as polymorphism of non-"magic-number" clusters. We investigate large clusters of cones and discuss the implication of our simulation results in the context of the Israelachvili packing rule for surfactants and a recent geometrical packing analysis on hard cones in the limit of large numbers of cones.

[1]  Sharon C. Glotzer,et al.  A precise packing sequence for self-assembled convex structures , 2007, Proceedings of the National Academy of Sciences.

[2]  D. Rapaport,et al.  Self-assembly of polyhedral shells: a molecular dynamics study. , 2004, Physical review. E, Statistical, nonlinear, and soft matter physics.

[3]  M. Ratner,et al.  Hydrophobically-Driven Self-Assembly: A Geometric Packing Analysis , 2003 .

[4]  J. R. Edmundson,et al.  The distribution of point charges on the surface of a sphere , 1992 .

[5]  John W. Vanderhoff,et al.  Uniform nonspherical latex particles as model interpenetrating polymer networks , 1990 .

[6]  Vinothan N Manoharan,et al.  Dense Packing and Symmetry in Small Clusters of Microspheres , 2003, Science.

[7]  S. Fuller,et al.  Minor proteins, mobile arms and membrane–capsid interactions in the bacteriophage PRD1 capsid , 2002, Nature Structural Biology.

[8]  Seung-Man Yang,et al.  Colloidal Clusters of Silica or Polymer Microspheres , 2004 .

[9]  B L Trus,et al.  Hexavalent capsomers of herpes simplex virus type 2: symmetry, shape, dimensions, and oligomeric status , 1986, Journal of virology.

[10]  Francesco Stellacci,et al.  Spontaneous assembly of subnanometre-ordered domains in the ligand shell of monolayer-protected nanoparticles , 2004, Nature materials.

[11]  J. Israelachvili.  Intermolecular and surface forces , 1985 .

[12]  Sharon C Glotzer,et al.  Phase diagrams of self-assembled mono-tethered nanospheres from molecular simulation and comparison to surfactants. , 2005, Langmuir : the ACS journal of surfaces and colloids.

[13]  Seung-Man Yang,et al.  Colloidal Clusters of Microspheres from Water-in-Oil Emulsions , 2005 .

[14]  Thomas L. Beck,et al.  Rare gas clusters: Solids, liquids, slush, and magic numbers , 1987 .

[15]  Joerg Lahann,et al.  Biphasic Janus particles with nanoscale anisotropy , 2005, Nature materials.

[16]  John W. Vanderhoff,et al.  Phase separation in polystyrene latex interpenetrating polymer networks , 1990 .

[17]  Y. Xia,et al.  A self-assembly approach to the formation of asymmetric dimers from monodispersed spherical colloids. , 2001, Journal of the American Chemical Society.

[18]  Sharon C Glotzer,et al.  Biomolecule-directed assembly of nanoscale building blocks studied via lattice Monte Carlo simulation. , 2004, The Journal of chemical physics.

[19]  J. Douliez.  Self-assembly of hollow cones in a bola-amphiphile/hexadiamine salt solution. , 2005, Journal of the American Chemical Society.

[20]  S. Stupp,et al.  Self-Assembly and Mineralization of Peptide-Amphiphile Nanofibers , 2001, Science.

[21]  J. Banavar,et al.  Computer Simulation of Liquids , 1988 .

[22]  D A Weitz,et al.  Grain Boundary Scars and Spherical Crystallography , 2003, Science.

[23]  E. Franses,et al.  Preparation and characterization of monodisperse polymer microspheroids , 1991 .

[24]  Chad A Mirkin,et al.  Self-Assembly of Mesoscopic Metal-Polymer Amphiphiles , 2004, Science.

[25]  A. Troisi,et al.  On the Structure and Stability of Self-Assembled Zwitterionic Peptide Amphiphiles: A Theoretical Study , 2004 .

[26]  Seung‐Man Yang,et al.  Self-organization of bidisperse colloids in water droplets. , 2005, Journal of the American Chemical Society.

[27]  D. Cleaver,et al.  Entropy-driven formation of the gyroid cubic phase. , 2006, Physical review letters.

[28]  M. Atiyah,et al.  Polyhedra in Physics, Chemistry and Geometry , 2003, math-ph/0303071.

[29]  M. Ferrario,et al.  Statistical geometry of hard particles on a sphere , 1992 .

[30]  J. E. Mellema,et al.  Structure of the Top a-t component of alfalfa mosaic virus. A non-icosahedral virion. , 1983, Journal of molecular biology.