Recent Developments in Monte Carlo Simulations of Lattice Models for Polymer Systems

A brief review is given of methodological advances made during the past decade with the Monte Carlo sampling of equilibrium properties of simple lattice models of polymer systems, and representative applications of these new algorithms are summarized. These algorithms include Wang−Landau (WL) sampling, the pruned-enriched Rosenbluth method (PERM), and topology violating dynamic Monte Carlo algorithms such as combinations of local moves, slithering snake moves, and “double bridging” moves for the bond fluctuation model. The applications mentioned concern phase-transition-like phenomena of single chains (collapse and crystallization in bad solvents; interplay of collapse and adsorption; escape of chains from confining tubes; microphase separation in binary bottle brushes) and nontrivial correlation effects in dense systems of many chains (intramolecular long-range correlations in melts; fluctuation effects of micelles in homopolymer−block copolymer blends.) While all these examples refer to work on lattice ...

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

[2]  P. Gennes.  Scaling Concepts in Polymer Physics , 1979 .

[3]  P. Flory.  Principles of polymer chemistry , 1953 .

[4]  K. Binder.  Monte Carlo and molecular dynamics simulations in polymer science , 1995 .

[5]  Michel Mareschal,et al.  Bridging time scales: molecular simulations for the next decade , 2002 .

[6]  K. Binder,et al.  Glassy Materials and Disordered Solids: AN Introduction to Their Statistical Mechanics (revised Edition) , 2011 .

[7]  H. Stanley,et al.  Phase Transitions and Critical Phenomena , 2008 .

[8]  D. Theodorou,et al.  Simulation Methods for Polymers , 2007 .

[9]  Kurt Binder,et al.  A Guide to Monte Carlo Simulations in Statistical Physics , 2000 .

[10]  Jun S. Liu,et al.  Monte Carlo strategies in scientific computing , 2001 .

[11]  M. Volkenstein,et al.  Statistical mechanics of chain molecules , 1969 .

[12]  G. Strobl,et al.  The Physics of Polymers: Concepts for Understanding their Structures and Behavior ~Springer , 1997 .

[13]  Carlo Vanderzande,et al.  Lattice Models of Polymers , 1998 .

[14]  L. Schäfer.  Excluded Volume Effects in Polymer Solutions , 1999 .

[15]  Sidney Yip,et al.  Handbook of Materials Modeling , 2005 .

[16]  Tom C. B. McLeish,et al.  Theoretical challenges in the dynamics of complex fluids , 1997 .

[17]  J. D. Cloizeaux,et al.  Polymers in Solution: Their Modelling and Structure , 2010 .

[18]  H. Stanley,et al.  Statistical physics of macromolecules , 1995 .

[19]  K. Binder,et al.  Monte Carlo Simulation in Statistical Physics , 1992, Graduate Texts in Physics.

[20]  S. Edwards,et al.  The Theory of Polymer Dynamics , 1986 .