Crystallization in melts of short, semiflexible hard polymer chains: An interplay of entropies and dimensions

Physical Review. E
T Shakirov, W Paul

Abstract

What is the thermodynamic driving force for the crystallization of melts of semiflexible polymers? We try to answer this question by employing stochastic approximation Monte Carlo simulations to obtain the complete thermodynamic equilibrium information for a melt of short, semiflexible polymer chains with purely repulsive nonbonded interactions. The thermodynamics is obtained based on the density of states of our coarse-grained model, which varies by up to 5600 orders of magnitude. We show that our polymer melt undergoes a first-order crystallization transition upon increasing the chain stiffness at fixed density. This crystallization can be understood by the interplay of the maximization of different entropy contributions in different spatial dimensions. At sufficient stiffness and density, the three-dimensional orientational interactions drive the orientational ordering transition, which is accompanied by a two-dimensional translational ordering transition in the plane perpendicular to the chains resulting in a hexagonal crystal structure. While the three-dimensional ordering can be understood in terms of Onsager theory, the two-dimensional transition can be understood in terms of the liquid-hexatic transition of hard disks. ...Continue Reading

References

Mar 1, 1996·Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics·A Gil-VillegasC Vega
Feb 16, 1987·Physical Review Letters·J P RyckaertI R McDonald
Apr 6, 2001·Physical Review Letters·F Wang, D P Landau
Dec 20, 2003·Physical Review Letters·Michael Bachmann, Wolfhard Janke
May 21, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Raul Cruz HidalgoJeff Z Y Chen
Aug 7, 2007·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·W PaulK Binder
Mar 21, 2008·Physical Review Letters·Nikos Ch Karayiannis, Manuel Laso
Apr 2, 2008·The Journal of Chemical Physics·Venkat PadmanabhanArun Yethiraj
Jun 13, 2009·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Mark P TaylorKurt Binder
Jun 13, 2009·Physical Review Letters·Thomas Wüst, David P Landau
Aug 8, 2009·Physical Review Letters·Nikos Ch KarayiannisManuel Laso
Sep 26, 2009·The Journal of Chemical Physics·Mark P TaylorKurt Binder
Oct 10, 2009·The Journal of Chemical Physics·Peng Yi, Gregory C Rutledge
Feb 2, 2010·The Journal of Chemical Physics·Nathaniel Wentzel, Scott T Milner
Jun 21, 2011·The Journal of Chemical Physics·Nathaniel Wentzel, Scott T Milner
Jul 20, 2011·The Journal of Chemical Physics·Peng Yi, Gregory C Rutledge
Jun 29, 2012·Journal of Physics. Condensed Matter : an Institute of Physics Journal·A Tröster, K Binder
Feb 7, 2013·Physical Review Letters·Daniel T SeatonMichael Bachmann
May 18, 2013·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Michael EngelWerner Krauth
Aug 16, 2013·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Mark P TaylorWolfgang Paul
Dec 11, 2013·The Journal of Chemical Physics·Muhammad AnwarTanja Schilling
Jun 1, 2014·Physical Review Letters·Chuanfu Luo, Jens-Uwe Sommer
Jul 19, 2014·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Thomas Palberg
Oct 3, 2014·The Journal of Chemical Physics·Muhammad AnwarTanja Schilling
Oct 15, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·S Stepanow
Feb 28, 2017·Nature Communications·Johannes ZierenbergWolfhard Janke
Aug 3, 2017·Faraday Discussions·Ahmad Jabbarzadeh, Xin Chen

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Citations

Mar 3, 2019·The Journal of Chemical Physics·T Shakirov, W Paul
Jan 23, 2021·Soft Matter·Pavel I KosAlexander V Chertovich
May 15, 2019·The Journal of Physical Chemistry. B·Guy W Dayhoff, David M Rogers

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