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The interfacial structure formed in thermoreversible associating polymer solutions is studied within the density functional approach based on Flory's arguments of tree-like configurations of cluster associations. The unique characteristics…

Condensed Matter · Physics 2007-05-23 Aleksander V. Ermoshkin , Igor Erukhimovich , Jeff Z. Y. Chen

Using the pruned-enriched Rosenbluth Monte Carlo algorithm, the scattering functions of semiflexible macromolecules in dilute solution under good solvent conditions are estimated both in $d=2$ and $d=3$ dimensions, considering also the…

Soft Condensed Matter · Physics 2015-06-11 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

We present an application of Flory-type self-consistent field theory of the flexible polymer chain dissolved in the binary mixture of solvents to theoretical description of co-nonsolvency. We show that our theoretical predictions are in…

Soft Condensed Matter · Physics 2017-11-10 Yu. A. Budkov , A. L. Kolesnikov

The linear viscoelastic response of single semiflexible polymer chains in the infinite-dilution limit is studied using Brownian dynamics simulations of coarse-grained bead-spring chains. The springs obey the FENE-Fraenkel force law, a…

Soft Condensed Matter · Physics 2026-03-03 Amit Varakhedkar , P. Sunthar , J. Ravi Prakash

We study the scaling limit of a fully packed loop model in two dimensions, where the loops are endowed with a bending rigidity. The scaling limit is described by a three-parameter family of conformal field theories, which we characterize…

Statistical Mechanics · Physics 2013-05-29 Jesper Lykke Jacobsen , Jane' Kondev

We study the fate of algebraic decay of correlations in a harmonically trapped two-dimensional degenerate Bose gas. The analysis is inspired by recent experiments on ultracold atoms where power-law correlations have been observed despite…

Quantum Gases · Physics 2016-12-14 Igor Boettcher , Markus Holzmann

Hydrogen bonding in infinite HF and HCl bent (zigzag) chains is studied using the ab initio coupled-cluster singles and doubles (CCSD) correlation method. The correlation contribution to the binding energy is decomposed in terms of…

Materials Science · Physics 2007-05-23 Christian Buth , Beate Paulus

In this chapter we review the rich behavior of polymer chains embedded in a quenched random environment. We first consider the problem of a Gaussian chain free to move in a random potential with short-ranged correlations. We derive the…

Disordered Systems and Neural Networks · Physics 2007-05-23 Yadin Y. Goldschmidt , Yohannes Shiferaw

We investigate, using numerical simulations and analytical arguments, a simple one dimensional model for the swelling or the collapse of a closed polymer chain of size N, representing the dynamical evolution of a polymer in a \Theta-solvent…

Condensed Matter · Physics 2009-10-31 E. Pitard , J. -P. Bouchaud

Monte Carlo simulations are used to study the conformational properties of a folded semiflexible polymer confined to a long channel. We measure the variation in the conformational free energy with respect to the end-to-end distance of the…

Soft Condensed Matter · Physics 2018-09-05 James M. Polson

A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…

chem-ph · Physics 2016-08-15 B. Jönsson , C. Peterson , B. Söderberg

This is the first of two parts investigating the Flory-Huggins interaction parameter chi as a function of composition and chain length. Part I encompasses experimental and theoretical work. The former comprises the synthesis of…

Soft Condensed Matter · Physics 2007-05-23 Maria Bercea , Maria Cazacu , Bernhard A. Wolf

Polymer brushes normally swell in a good solvent and collapse in a poor solvent. An abnormal response of polymer brushes, so-called co-nonsolvency, is the phenomenon where the brush counter-intuitively collapses in a good solvent mixture.…

Soft Condensed Matter · Physics 2019-08-26 Gyehyun Park , YounJoon Jung

The morphological scaling properties of linear polymer films grown by vapor deposition polymerization (VDP) are studied by 1+1D Monte Carlo simulations. The model implements the basic processes of random angle ballistic deposition ($F$),…

Computational Physics · Physics 2010-10-25 Sairam Tangirala , David P. Landau , Y. -P. Zhao

Polymer gels such as jellies and soft contact lenses are soft solids consisting of three-dimensional polymer networks swollen with a large amount of solvent. For approximately 80 years, the swelling of polymer gels has been described using…

Soft Condensed Matter · Physics 2022-12-12 Naoyuki Sakumichi , Takashi Yasuda , Takamasa Sakai

Constant temperature molecular dynamics simulations were used to study solutions of flexible polyelectrolyte chains at nonzero concentrations with explicit counterions and unscreened coulombic interactions. Counterion condensation, measured…

Statistical Mechanics · Physics 2009-10-31 J. C. Chu , C. H. Mak

Single two dimensional polymers confined to a strip are studied by Monte Carlo simulations. They are described by N-step self-avoiding random walks on a square lattice between two parallel hard walls with distance 1 << D << N^\nu (\nu = 3/4…

Soft Condensed Matter · Physics 2007-05-23 Hsiao-Ping Hsu , Peter Grassberger

Active polymeric systems exhibit a rich spectrum of non-equilibrium phenomena arising from stochastic forces that explicitly break detailed balance. Despite the rapid growth of experimental and numerical studies, analytical progress remains…

Soft Condensed Matter · Physics 2026-03-09 Takahiro Sakaue , Enrico Carlon

Solutions of interacting linear polymers are mapped onto a system of ``soft'' spherical particles interacting via an effective pair potential. This coarse-graining reduces the individual monomer-level description to a problem involving only…

Soft Condensed Matter · Physics 2007-05-23 V. Krakoviack , J. P. Hansen , A. A. Louis

We analyze the scaling laws for a set of two different species of long flexible polymer chains joined together at one of their extremities (copolymer stars) in space dimension D=2. We use a formerly constructed field-theoretic description…

Soft Condensed Matter · Physics 2009-11-07 Christian von Ferber , Yurij Holovatch