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We perform molecular-dynamics simulations for polymer melts of the coarse-grained polyvinyl alcohol model that crystallizes upon slow cooling. To establish the properties of its high temperature liquid state as a reference point, we…

Soft Condensed Matter · Physics 2018-11-14 Sara Jabbari-Farouji

We investigate the propagation of a suddenly applied tension along a thermally excited semi-flexible polymer using analytical approximations, scaling arguments and numerical simulation. This problem is inherently non-linear. We find…

Soft Condensed Matter · Physics 2009-10-28 Udo Seifert , Wolfgang Wintz , Philip Nelson

Let $K$ be a closed convex polyhedron defined by a finite number of linear inequalities. In this paper we refine the theory of abstract tubes (Naiman and Wynn, 1997) associated with $K$ when $K$ is perturbed. In particular, we focus on the…

Computation · Statistics 2011-10-14 Satoshi Kuriki , Tetsuhisa Miwa , Anthony J. Hayter

A constitutive model is derived for the time-dependent response of particle-reinforced elastomers at finite strains. An amorphous rubbery polymer is treated as a network of long chains linked by permanent junctions (chemical crosslinks,…

Soft Condensed Matter · Physics 2007-05-23 Aleksey D. Drozdov

The lattice cluster theory (LCT) for semiflexible linear telechelic melts, developed in paper I, is applied to examine the influence of chain stiffness on the average degree of self-assembly and the basic thermodynamic properties of linear…

Soft Condensed Matter · Physics 2015-06-29 Wen-Sheng Xu , Karl F. Freed

Physisorption or chemisorption from dilute polymer solutions often entails irreversible polymer-surface bonding. We present a theory of the non-equilibrium layers which result. While the density profile and loop distribution are the same as…

Soft Condensed Matter · Physics 2009-11-07 Ben O'Shaughnessy , Dimitrios Vavylonis

A soft ellipsoid model for Gaussian polymer chains is studied, following an idea proposed by Murat and Kremer [J. Chem. Phys. 108, 4340 (1998)]. In this model chain molecules are mapped onto ellipsoids with certain shapes, and to each shape…

Soft Condensed Matter · Physics 2009-10-31 Frank Eurich , Philipp Maass

We recently found that the energy contribution to the linear elasticity of polymer gels in the as-prepared state can be a significant negative value; the shear modulus is not proportional to the absolute temperature [Y. Yoshikawa et al.,…

Soft Condensed Matter · Physics 2021-12-14 Naoyuki Sakumichi , Yuki Yoshikawa , Takamasa Sakai

Two-dimensional semiflexible polymer rings are studied both by imaging circular DNA adsorbed on a mica surface and by Monte Carlo simulations of phantom polymers as well as of polymers with finite thickness. Comparison of size and shape of…

Biomolecules · Quantitative Biology 2010-04-15 Fabian Drube , Karen Alim , Guillaume Witz , Giovanni Dietler , Erwin Frey

Monte Carlo computer simulations are used to study the conformational free energy of a folded polymer confined to a long cylindrical tube. The polymer is modeled as a hard-sphere chain. Its conformational free energy $F$ is measured as a…

Soft Condensed Matter · Physics 2018-02-07 James M. Polson , Aidan F. Tremblett , Zakary R. N. McLure

We construct a tractable model to describe the rate at which a knotted polymer is ejected from a spherical capsid via a small pore. Knots are too large to fit through the pore and must reptate to the end of the polymer for ejection to…

Quantitative Methods · Quantitative Biology 2009-10-22 T. Antal , P. L. Krapivsky , S. Redner

We develop a scaling theory to describe dynamic fluctuations of a semiflexible polymer and find several distinct regimes. We performed simulations to characterize the longitudinal and transverse dynamics; using ensemble averaging for a…

Soft Condensed Matter · Physics 2009-10-31 R. Everaers , F. Julicher , A. Ajdari , A. C. Maggs

We investigate the dynamics and the pathways of the collapse of a single, semiflexible polymer in a poor solvent via 3-D Brownian Dynamics simulations. Earlier work indicates that the condensation of semiflexible polymers generically…

Soft Condensed Matter · Physics 2009-11-10 Alberto Montesi , Matteo Pasquali , F. C. MacKintosh

Dense rubbery networks are highly entangled polymer systems, with significant topological restrictions for the mobility of neighbouring chains and crosslinks preventing the reptation constraint release. In a mean field approach,…

Soft Condensed Matter · Physics 2009-11-07 S. Kutter , E. M. Terentjev

We analyze the motion of individual beads of a polymer chain using a discrete version of De Gennes' reptation model that describes the motion of a polymer through an ordered lattice of obstacles. The motion within the tube can be evaluated…

Soft Condensed Matter · Physics 2016-08-15 U. Ebert , L. Schäfer , A. Baumgärtner

Let L be a positive line bundle on a projective complex manifold. We study the asymptotic behavior of Bergman kernels associated with the tensor powers L^p of L as p tends to infinity. The emphasis is the dependence of the uniform estimates…

Complex Variables · Mathematics 2017-06-14 Tien-Cuong Dinh , Xiaonan Ma , Viet-Anh Nguyen

This paper develops a damage model for unfilled cross-linked rubbers based on the concept of scission of polymer chains. The model is built up on the well-known Gent elastic potential complemented by a kinetic equation describing effects of…

Materials Science · Physics 2011-08-03 Alexei Y. Melnikov , A. I. Leonov

We consider a damped linear hyperbolic system modelling the propagation of pressure waves in a network of pipes. Well-posedness is established via semi-group theory and the existence of a unique steady state is proven in the absence of…

Numerical Analysis · Mathematics 2016-05-11 Herbert Egger , Thomas Kugler

We present results about large deviations and laws of large numbers for various polymer related quantities. In a completely general setting and strictly positive temperature, we present results about large deviations for directed polymers…

Probability · Mathematics 2012-10-03 Nicos Georgiou

We study the size-topology relations in random packings of dry adhesive polydisperse microspheres with Gaussian and lognormal size distributions through a geometric tessellation. We find that the dependence of the neighbour number on the…

Soft Condensed Matter · Physics 2019-02-20 Wenwei Liu , Sheng Chen , Chuan-yu Wu , Shuiqing Li