Conformational Properties of Semiflexible Polymers: Numerical Simulations


  • V. Blavatska Institute for Condensed Matter Physics, Nat. Acad. of Sci. of Ukraine
  • K. Haydukivska Ivan Franko National University of Lviv
  • Yu. Holovatch Institute for Condensed Matter Physics, Nat. Acad. of Sci. of Ukraine





We study the conformational properties of semiflexible polymers within the lattice model of self-avoiding random walks (SAW) with bending energy ε that depends on the orientation between directions of two consecutive steps. We apply the pruned-enriched Rosenbluth method (PERM). Both the cases of bending preference (ε < 0) and unfavorableness (ε > 0) are analyzed, and details of the "coil-to-rod" transition, as well as properties of the "superflexible" state, are discussed.


M. Rubinstein and R.H. Colby, Polymer Physics (Oxford Univ. Press, Oxford, 2004).

G. Strobl, The Physics of Polymers. Concepts for Understanding Their Structures and Behavior (Springer, Berlin, 1997).

G.M. Bartenev and S.Ya. Frenkel, Physics of Polymers (Khimiya, Leningrad, 1990) (in Russian).

P.G. de Gennes, Scaling Concepts in Polymer Physics (Cornell Univ. Press, Ithaca, 1979).

J. des Cloizeaux and G. Jannink, Polymers in Solutions: Their Modelling and Structure (Clarendon Press, Oxford, 1990).

A.Yu. Grosberg and A.R. Khokhlov, Statistical Physics of Macromolecules (AIP Press, New York, 1994).

R. Guida and J. Zinn-Justin, J. Phys. A 31, 8104 (1998).

C. Bustamante, J.F. Marko, E.D. Siggia, and S. Smith, Science 265, 1599 (1994).

C.K. Ober, Science 288, 448 (2000).

J.W. Halley, H.Nakanishi, and R. Sandararajan, Phys. Rev. B 31, 293 (1985).

S.B. Lee and H. Nakanishi, Phys. Rev. B 33, 1953 (1986).

J. Moon and H. Nakanishi, Phys. Rev. A 44, 6427 (1991).

J.W. Halley, D. Atkatz, and H. Nakanishi, J. Phys. A 23, 3297 (1990).

M. Dijkstra and D. Frenkel, Phys. Rev. E 50, 349 (1994).

U. Bastolla and P. Grassberger, J. Stat. Phys, 89, 1061 (1997).

H.-P. Hsu, W. Paul, and K. Binder, Europhys. Lett. 92, 28003 (2010).

M. L. Glassed, V. Privman, A. M. Szpilka, J. Phys. A: Math. Gen. 19, 1185 (1986).

V. Privman and H.L. Frisher, J. Chem. Phys. 88, 469 (1988).

P.A. Wiggins and P.C. Nelson, Phys. Rev. E 73, 031906 (2006).

A. Giacometti and A. Maritant, J. Phys. A: Math. Gen. 25, 2753 (1992).

P. Grassberger, Phys. Rev. E 56, 3682 (1997).

M.N. Rosenbluth and A.W. Rosenbluth, J. Chem. Phys. 23, 356 (1955).

F.T. Wall and J.J. Erpenbeck, J. Chem. Phys. 30, 634 (1959).

R. Brout, Phys. Rev. 115, 824 (1959)

R. Folk, Yu. Holovatch, and T. Yavors'kii, Physics-Uspiekhi 46, 169 (2003)

see also the review papers in Order, Disorder and Criticality. Advanced Problems of Phase Transition Theory, edited by Yu. Holovatch), (World Scientific, Singapore, vol. 1 (2004), vol. 2 (2007)).

H.P. Hsu, V. Mehra, W. Nadler, and P. Grassberger, J.~Chem.~Phys. 118, {444 (2007).

M. Bachmann and W. Janke, Phys. Rev. Lett. 91, 208105 (2003)

J. Chem. Phys. 120, 6779 (2004).

A.J. Guttmann and J. Wang, J. Phys. A 24, 3107 (1991).



How to Cite

Blavatska В., Haydukivska Х., & Holovatch Ю. (2012). Conformational Properties of Semiflexible Polymers: Numerical Simulations. Ukrainian Journal of Physics, 57(1), 41.



Soft matter