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Theoretical aspects of polymers in mixed solvents are considered using the Edwards Hamiltonian formalism. Thermodynamic and structural properties are investigated and some predictions are made when the mixed solvent approaches criticality.…

Soft Condensed Matter · Physics 2007-05-23 A. Negadi , A. Sans-Penninckx , M. Bemouna , T. A. Vilgis

We study the effect of physical confinement on the capillary infiltration of polymers into cylindrical nanopores using molecular dynamics simulations. In particular, we probe whether the critical contact angle above which capillary rise…

Soft Condensed Matter · Physics 2018-09-03 David J. Ring , Robert A. Riggleman , Daeyeon Lee

A directed polymer is allowed to branch, with configurations determined by global energy optimization and disorder. A finite size scaling analysis in 2D shows that, if disorder makes branching more and more favorable, a critical transition…

Statistical Mechanics · Physics 2016-08-31 Giovanni Sartoni , Attilio L. Stella

We generalize a recently investigated lattice model of semiflexible polymers formed under equilibrium polymerization in a solution and conduct a comprehensive investigation of its melting properties. The model is characterized by six…

Condensed Matter · Physics 2007-05-23 Sagar S. Rane , P. D. Gujrati

The coupled dynamics of entangled polymers which span a broad time and length scales govern the unique viscoelastic properties of polymers. To follow chain mobility by numerical simulations from the intermediate Rouse and reptation regimes…

Soft Condensed Matter · Physics 2016-11-03 Gary S. Grest

We consider a model for a polymer chain interacting with a sequence of equispaced flat interfaces through a pinning potential. The intensity $\delta \in \mathbb {R}$ of the pinning interaction is constant, while the interface spacing…

Probability · Mathematics 2009-10-26 Francesco Caravenna , Nicolas Pétrélis

We present a field-theoretic renormalization group analysis of a polymer chain immersed in a binary good solvent close to its critical demixing point. We first show that this problem can be mapped on a bicritical field theory, i.e. a…

Statistical Mechanics · Physics 2009-10-31 M. Stapper , T. A. Vilgis

Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for…

Statistical Mechanics · Physics 2018-05-30 P. H. L. Martins , J. A. Plascak , M. Bachmann

Using molecular dynamic simulation, we study the stretching of an adsorbed homopolymer in a poor solvent with one end held at a distance $z_e$ from the substrate. We measure the vertical force $f$ on the end of the chain as a function of…

Soft Condensed Matter · Physics 2009-11-10 Franck Celestini , Thoma Frisch , Xabier Oyharcabal

The conformational and electronic properties of conducting flexible random and self-avoiding walk polymer chains are under investigation. A Hamiltonian for conjugated flexible polymers is introduced and its physical consequences are…

Condensed Matter · Physics 2009-10-22 M. Otto , T. A. Vilgis

The phase behavior of a cross-linked polymer blend made of two incompatible species, $A$ and $B$, of different chemical nature is analyzed. Besides a homogeneous phase, this system also exhibits two microphases and a phase of total…

Condensed Matter · Physics 2007-05-23 Edilson Vargas , Marcia C. Barbosa

Some recent work pointed out the usefulness of taking a large-deviation perspective when trying to extract anything resembling a macroscopic order parameter from a computer simulation. In this paper we note that the end-to-end distance of…

Soft Condensed Matter · Physics 2026-03-20 Eleftherios Mainas , Jan Tobochnik , Richard Stratt

The properties of semiflexible polymers tethered by one end to an impenetrable wall and exposed to oscillatory shear flow are investigated by mesoscale simulations. A polymer, confined in two dimensions, is described by a linear bead-spring…

Soft Condensed Matter · Physics 2021-12-14 Antonio Lamura , Roland G. Winkler , Gerhard Gompper

Using molecular dynamics simulations we examine the dynamics of a family of model polymers with varying chain length and torsional potential barriers. We focus on features of the dynamics of polymers that are seen experimentally but absent…

Soft Condensed Matter · Physics 2019-06-11 Daniel Fragiadakis , C. Michael Roland

We present a detailed study of the static and dynamic behavior of long semiflexible polymer chains in a melt. Starting from previously obtained fully equilibrated high molecular weight polymer melts [{\it Zhang et al.} ACS Macro Lett. 3,…

Soft Condensed Matter · Physics 2016-05-25 Hsiao-Ping Hsu , Kurt Kremer

Combining elastic incoherent neutron scattering experiments at different resolutions with molecular dynamics simulations, we report the observation of a protein-like dynamical transition in linear chains of Poly(N-isopropylacrylamide). We…

Soft Condensed Matter · Physics 2021-03-11 L. Tavagnacco , M. Zanatta , E. Buratti , B. Rosi , B. Frick , F. Natali , J. Ollivier , E. Chiessi , M. Bertoldo , E. Zaccarelli , A. Orecchini

Recent developments of microscopic mechanical experiments allow the manipulation of individual polymer molecules in two main ways: \textit{uniform} stretching by external forces and \textit{non-uniform} stretching by external fields. Many…

Biological Physics · Physics 2015-06-11 Fabio Manca , Stefano Giordano , Pier Luca Palla , Fabrizio Cleri , Luciano Colombo

We propose a novel characterization method of randomly branched polymers based on the geometrical property of such objects in confined spaces. The central idea is that randomly branched polymers exhibit passing/clogging transition across…

Soft Condensed Matter · Physics 2014-02-03 Takahiro Sakaue , Françoise Brochard-Wyart

We examine the phase transition of polymer adsorption as well as the underlying kinetics of polymer binding from dilute solutions on a structureless solid surface. The emphasis is put on the properties of regular multiblock copolymers,…

Soft Condensed Matter · Physics 2009-09-03 A. Milchev , V. Rostiashvili , S. Bhattacharya , T. Vilgis

We consider models of directed random polymers interacting with a defect line, which are known to undergo a pinning/depinning (or localization/delocalization) phase transition. We are interested in critical properties and we prove, in…

Disordered Systems and Neural Networks · Physics 2009-11-11 F. L. Toninelli
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