Diblock copolymers in a cylindrical pore.

We show that a simple Ginzburg-Landau type theory can predict a tremendous rich "zoo" of diblock copolymer morphologies in cylindrical nanopores. Using the cell dynamics simulation we study in detail lamellar-, cylinder-, and eventually sphere-forming diblock copolymers melts in cylindrical nanopores. A very fast simulation method is proposed to be used as a research precursor for more elaborate computational techniques.

[1]  Weihua Li,et al.  Self-Assembled Morphologies of a Diblock Copolymer Melt Confined in a Cylindrical Nanopore , 2006 .

[2]  Craig J. Hawker,et al.  Using Surface Active Random Copolymers To Control the Domain Orientation in Diblock Copolymer Thin Films , 1998 .

[3]  G. Sevink,et al.  Role of dissimilar interfaces in thin films of cylinder-forming block copolymers. , 2004, The Journal of chemical physics.

[4]  A. Krekhov,et al.  Specific features of defect structure and dynamics in the cylinder phase of block copolymers. , 2008, ACS nano.

[5]  A. Knoll,et al.  Electric Field Induced Alignment of Concentrated Block Copolymer Solutions , 2003 .

[6]  Mechanisms of electric-field-induced alignment of block copolymer lamellae , 2009 .

[7]  Zhen‐Gang Wang,et al.  KINETICS OF PHASE TRANSITIONS IN WEAKLY SEGREGATED BLOCK COPOLYMERS : PSEUDOSTABLE AND TRANSIENT STATES , 1997 .

[8]  M. Matsen.  Thin films of block copolymer , 1997 .

[9]  M. Doi,et al.  Phase Separated Structures in a Binary Blend of Diblock Copolymers under an Extensional Force Field —Helical Domain Structure— , 2004 .

[10]  G. Sevink,et al.  Sphere morphology of block copolymer systems under shear , 2003 .

[11]  Weihua Li,et al.  Phase Diagram for a Diblock Copolymer Melt under Cylindrical Confinement , 2005, cond-mat/0508057.

[12]  I. Hamley,et al.  Mesoscopic simulations of lamellar orientation in block copolymers , 2002 .

[13]  E. Thomas,et al.  Continuous concentric lamellar block copolymer nanofibers with long range order. , 2009, Nano letters.

[14]  S. Ludwigs,et al.  Phase Behavior of ABC Triblock Terpolymers in Thin Films: Mesoscale Simulations , 2005 .

[15]  Yiying Wu,et al.  Composite mesostructures by nano-confinement , 2004, Nature materials.

[16]  A. Böker,et al.  3-dimensional control over lamella orientation and order in thick block copolymer films , 2009 .

[17]  Marco Pinna,et al.  Kinetic pathways of gyroid-to-cylinder transitions in diblock copolymers under external fields: cell dynamics simulation. , 2008, Soft matter.

[18]  Baohui Li,et al.  Confinement-Induced Morphologies of Cylinder-Forming Asymmetric Diblock Copolymers , 2008 .

[19]  G. Sevink,et al.  Self-Assembly of Complex Vesicles , 2005 .

[20]  Oono,et al.  Cell dynamical system approach to block copolymers. , 1990, Physical review. A, Atomic, molecular, and optical physics.

[21]  Morozov,et al.  Orientational phase transitions in the hexagonal phase of a diblock copolymer melt under shear flow , 2000, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[22]  A. Zvelindovsky,et al.  Block copolymer nanoshells , 2008 .

[23]  Qiang Wang,et al.  Monte Carlo Simulations of Diblock Copolymer Thin Films Confined between Chemically Heterogeneous Hard Surfaces , 2000 .

[24]  Natasha M. Maurits,et al.  Three-dimensional mesoscale dynamics of block copolymers under shear: The dynamic density-functional approach , 1998 .

[25]  G. Sevink,et al.  Block copolymers confined in a nanopore: pathfinding in a curving and frustrating flatland. , 2007, The Journal of chemical physics.

[26]  I. Hamley.  Nanostructure fabrication using block copolymers , 2003 .

[27]  Ting Xu,et al.  Sequential, Orthogonal Fields: A Path to Long-Range, 3-D Order in Block Copolymer Thin Films , 2003 .

[28]  Augustine Urbas,et al.  Tunable Block Copolymer/Homopolymer Photonic Crystals , 2000 .

[29]  Baohui Li,et al.  Confinement-induced novel morphologies of block copolymers. , 2006, Physical review letters.

[30]  T. Russell,et al.  Cylindrically Confined Diblock Copolymers , 2009 .

[31]  Taehyung Kim,et al.  From cylinders to helices upon confinement , 2005 .

[32]  T. Hashimoto,et al.  Nano-fabrication of double gyroid network structure via ozonolysis of matrix phase of polyisoprene in poly(2-vinylpyridine)-block-polyisoprene films , 2006 .

[33]  Puri,et al.  Study of phase-separation dynamics by use of cell dynamical systems. I. Modeling. , 1988, Physical review. A, General physics.

[34]  T. Russell,et al.  Curving and Frustrating Flatland , 2004, Science.

[35]  A. Zvelindovsky.  Nanostructured Soft Matter , 2013 .

[36]  Haojun Liang,et al.  Self-assembly of the symmetric diblock copolymer in a confined state: Monte Carlo simulation , 2001 .

[37]  A. Knoll,et al.  The influence of incompatibility and dielectric contrast on the electric field-induced orientation of lamellar block copolymers , 2006 .

[38]  Ian W. Hamley,et al.  The physics of block copolymers , 1998 .

[39]  Shinichi Sakurai,et al.  Progress in control of microdomain orientation in block copolymers – Efficiencies of various external fields , 2008 .

[40]  Kristin Schmidt,et al.  Influence of initial order on the microscopic mechanism of electric field induced alignment of block copolymer microdomains. , 2005, Langmuir : the ACS journal of surfaces and colloids.

[41]  Ian W. Hamley,et al.  Cell Dynamics Simulations of Microphase Separation in Block Copolymers , 2001 .

[42]  G. Sevink,et al.  Morphology of symmetric block copolymer in a cylindrical pore , 2001 .

[43]  Honglai Liu,et al.  Mesophase Separation of Diblock Copolymer Confined in a Cylindrical Tube Studied by Dissipative Particle Dynamics , 2006 .

[44]  E. Ruckenstein,et al.  Morphologies of AB Diblock Copolymer Melts Confined in Nanocylindrical Tubes , 2006 .

[45]  A. Mayes,et al.  Block copolymer thin films : Physics and applications , 2001 .

[46]  Xiaohu Guo,et al.  Parallel algorithm for cell dynamics simulation of block copolymers , 2007 .

[47]  G. Sevink,et al.  Phase behavior in thin films of cylinder-forming ABA block copolymers: mesoscale modeling. , 2004, The Journal of chemical physics.

[48]  M. Matsen.  Undulation instability in block-copolymer lamellae subjected to a perpendicular electric field. , 2006, Soft matter.

[49]  Juan J. de Pablo,et al.  Monte Carlo Simulations of Asymmetric Diblock Copolymer Thin Films Confined between Two Homogeneous Surfaces , 2001 .

[50]  Xuehao He,et al.  Effect of surface field on the morphology of a symmetric diblock copolymer under cylindrical confinement. , 2006, The Journal of chemical physics.

[51]  Gregory C Rutledge,et al.  Electrospun polymer nanofibers with internal periodic structure obtained by microphase separation of cylindrically confined block copolymers. , 2006, Nano letters.

[52]  Taehyung Kim,et al.  The influence of confinement and curvature on the morphology of block copolymers , 2005 .

[53]  Baohui Li,et al.  Self-assembly of diblock copolymers confined in cylindrical nanopores. , 2007, The Journal of chemical physics.

[54]  Marco Pinna,et al.  Cubic phases of block copolymers under shear and electric fields by cell dynamics simulation. I. Spherical phase. , 2006, The Journal of chemical physics.

[55]  Yiming Sun,et al.  Diameter‐Dependence of the Morphology of PS‐b‐PMMA Nanorods Confined Within Ordered Porous Alumina Templates , 2005 .

[56]  T. Russell,et al.  Block copolymers under cylindrical confinement , 2004 .

[57]  K. Kawasaki,et al.  Equilibrium morphology of block copolymer melts , 1986 .

[58]  L. Leibler.  Theory of Microphase Separation in Block Copolymers , 1980 .

[59]  Jongseung Yoon,et al.  Enabling nanotechnology with self assembled block copolymer patterns , 2003 .

[60]  Gallagher,et al.  Observed surface energy effects in confined diblock copolymers. , 1996, Physical review letters.

[61]  Qiang Wang,et al.  Symmetric diblock copolymers in nanopores: Monte Carlo simulations and strong-stretching theory. , 2007, The Journal of chemical physics.