Block Copolymer Nanoshells

Using computer simulation the morphology of thin block copolymer film around a nanoparticle has been investigated.


The structures obtained include: parallel, perpendicular, mixed and perforated lamellae, parallel and perpendicular cylinders and spheres. Simulation suggests that novel porous nanocontainers can be formed by the coating of a sacrificial nano-bead by a block copolymer layer  with a well controlled nanostructure.


Related Publications


  • Computational Physics

    2011

    • Pinna M., Zvelindovsky A. V. M.,  Guo X.,  Stokes Ch. L. “Diblock copolymer sphere morphology in ultra thin films under shear”, Soft Matter  7 (2011) 6991-6997.
    • Sevink G. J. A.,  Pinna M.,  Langner K. M.,   Zvelindovsky A. V. “Selective disordering of lamella-forming diblock copolymers under an electric field”, Soft Matter  7 (2011) 5161-5170.
    • Denham N.,  Holmes M.C., Zvelindovsky A.V., “The Phases in a Non-Ionic Surfactant (C12E6) – Water Ternary System: A Coarse-Grained Computer Simulation”,  J. Phys. Chem. B 115 (2011) 1385–1393.
    • Pinna M.,  Pagonabarraga I., Zvelindovsky A. V.,  ”Modelling of hybrid block copolymer-nanoparticle composite materials”, Macromolecular Theory & Simulations (2011)
      http://dx.doi.org/10.1002/mats.201100047

    2010

    • Pinna M., Hiltl S., Guo X., Böker A., Zvelindovsky A. V., “Block Copolymer Nanocontainers”, ACS Nano 4 (2010) 2845-2855
    • Pinna M., “Modelling of Block Copolymer Systems with Cell Dynamics”, Institute of Physics Computational Physics Group Newsletter (Autumn 2010) 1-14.
    • Pinna M., Zvelindovsky A.V., Pagonabarraga I. “Nano-Particle/Block Copolymer Hybrid Materials”, HPC-Europa2: Science and Supercomputing in Europe. Reserrach highlights 2010 (CINECA, 2010) p.173.

    2009

    • Pinna M., Guo X., Zvelindovsky A. V., “Diblock copolymer in a cylindrical pore”, J. Chem. Phys. 131 214902
    • Ly D. Q., Honda T., Kawakatsu T., Zvelindovsky A. V., “Electric field-induced transitions in perforated lamella of ABA triblock copolymer thin film”, Soft Matter 5 4814-4822
    • Sevink G. J. A., Zvelindovsky A. V. “Confined spheres-forming diblock copolymers: phase behaviour and the role of chain architecture”, Macromolecules 42 8500-8512
    • Pinna M., Schreier L., Zvelindovsky A. V. “Mechanisms of electric-field-induced alignment of block copolymer lamellae”, Soft Matter 5  970-973

     2008

    • Pinna M., Zvelindovsky A. V. “Kinetic pathways of gyroid-to-cylinder transitions in diblock copolymers under external fields: cell dynamics simulation”, Soft Matter 4  316-327
    • Sevink G. J. A., Zvelindovsky A. V. “Block copolymers confined in a nanopore: Pathfinding in a curving and frustrating flatland”, J. Chem. Phys.  128  084901
    • Ly D. Q., Honda T., Kawakatsu T, Zvelindovsky A. V. “Hexagonally perforated lamellae-to-cylinder transition in a diblock copolymer thin film under an electric field”, Macromolecules 41 4501-4505
    • Horvat A., Sevink G. J. A., Zvelindovksy A. V., Krekhov A., Tsarkova L. “Specific featues of defect structure and dynamics in the cylinder phase of block copolymers”, ACS Nano 2  1143-1152Pinna M., Guo X., Zvelindovsky A. V. “Block copolymer nanoshells”, Polymer 49  2797-2800
    • Pinna M., Guo X., Zvelindovsky A.V., Pagonabarraga I. “Simulation of Block Copolymer-Colloid Nano-Composite Materials”, HPC-Europa++: Science and Supercomputing in Europe. Report 2008 (CINECA, 2008) 556-559.

    2007

    • Horvat A., Knoll A., Kraush G., Tsarkova L., Lyakhova K. S., Sevink G. J. A., Zvelindovsky A. V., Magerle R. “Time evolution of surface relief structures in thin diblock copolymer films” Macromolecules 40  6930-6939
    • Guo X., Pinna M., Zvelindovsky A.V. “Parallel algorithm for Cell Dynamics Simulation of block copolymers” Macromol. Theory Simul. 16  779-784, Rapid Communication. & Cover
    • Ratushnaya V.I., Bedeaux D., Kulinskii V.L., Zvelindovsky A.V. “Collective behavior of self propelling particles with kinematic constraints; the relation between the discrete and the continuous description” Physica A 381 39-46
    • Ly D.Q., Honda T., Kawakatsu T., Zvelindovsky A.V. “Kinetic pathway of gyroid-to-cylinder transition in diblock copolymer melt under electric field” Macromolecules 40 2928-2935
    • Ratushnaya V.I., Bedeaux D., Kulinskii V.L., Zvelindovsky A.V. “Stability properties of the collective stationary motion of self-propelling particles with conservative kinematic constraints” J. of Physics A: Mathematical and Theoretical 40 2573-2581
    • Schmidt K., Schoberth H.G., Schubert F., Hänsel H., Fischer F., Weiss T. M., Sevink G. J. A., Zvelindovsky A.V., Böker A., Krausch G. “Scaling behavior of the reorientation kinetics of block copolymers exposed to electric fields” Soft Matter 3 448-453
    • Sevink G. J. A., Zvelindovsky A. V. “Mesoscopic dynamics of complex vesicle formation: kinetic versus thermodynamic factors” Molecular Simulation 33 405-415
    • Pinna M., Zvelindovsky A., ”Simulation of Nanostructured Soft Matter”, HPC-Europa: Science and Supercomputing in Europe. Report 2007 (CINECA, 2007) 1060-1063.

     



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Researchers



Computational Physics Group


  • Visiting Kunimasa Miyazaki in Nagoya

    Andrei visits Professor Kunimasa Miyazaki at Department of Physics of Nagoya University in Japan.

  • Discussing with Taniguchi-san

    Andrei visits Associate Professor Takashi Taniguchi at Department of Chemical Engineering, Kyoto University, Japan.

  • Talk in Kyoto

    Andrei Zvelindovsky delivers 1.5 hours seminar “Simulation of block copolymers” in the group of Professor Ryoichi Yamamoto at Department of Chemical Engineering, Kyoto University, Japan.