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We study the dynamics of flexible, semiflexible, and self-avoiding polymer chains moving under a Kramers metastable potential. Due to thermal noise, the polymers, initially placed in the metastable well, can cross the potential barrier, but…

Soft Condensed Matter · Physics 2013-12-05 Jaeoh Shin , Timo Ikonen , Mahendra D. Khandkar , Tapio Ala-Nissila , Wokyung Sung

We derive an exact formula for the covariance of cartesian distances in two simple polymer models, the freely-jointed chain and a discrete flexible model with nearest-neighbor interaction. We show that even in the interaction-free case…

Soft Condensed Matter · Physics 2009-04-17 Johannes-Geert Hagmann , Karol K. Kozlowski , Nikos Theodorakopoulos , Michel Peyrard

We study the scaling properties of polymers in a d-dimensional medium with quenched defects that have power law correlations ~r^{-a} for large separations r. This type of disorder is known to be relevant for magnetic phase transitions. We…

Soft Condensed Matter · Physics 2009-11-07 Victoria Blavats'ka , Christian von Ferber , Yurij Holovatch

We consider a model consisting of a self-avoiding polygon occupying a variable density of the sites of a square lattice. A fixed energy is associated with each $90^\circ$-bend of the polygon. We use a grand canonical ensemble, introducing…

Soft Condensed Matter · Physics 2015-05-20 David Aristoff , Charles Radin

Polymers confined to a narrow channel are subject to strong entropic forces that tend to drive the molecules apart. In this study, we use Monte Carlo computer simulations to study the segregation behavior of two flexible hard-sphere…

Soft Condensed Matter · Physics 2021-01-27 James M. Polson , Qinxin Zhu

A planar square lattice model with 3-d spins interacting with nearest neighbours through a potential -$\epsilon P_4 (cos \theta_{ij})$ is studied by Monte Carlo technique. Lattice sizes from 10$\times$10 to 30$\times$30 are considered for…

Soft Condensed Matter · Physics 2008-02-03 Kisor Mukhopadhyay , Abhijit Pal , Soumen Kumar Roy

Percolation phenomena of homopolymer brushes on a planar substrate are simulated using the molecular Monte Carlo method in 3 dimensions. The grafted polymers are isolated from each other at extremely low grafting density, whereas a…

Soft Condensed Matter · Physics 2014-02-07 Yuki Norizoe , Hiroshi Jinnai , Atsushi Takahara

We consider triangular holes on the hexagonal lattice and we study their interaction when the rest of the lattice is covered by dimers. More precisely, we analyze the joint correlation of these triangular holes in a ``sea'' of dimers. We…

Mathematical Physics · Physics 2007-10-25 Mihai Ciucu

We study phases and transitions of the square-lattice double dimer model, consisting of two coupled replicas of the classical dimer model. As on the cubic lattice, we find a thermal phase transition from the Coulomb phase, a disordered but…

Statistical Mechanics · Physics 2020-11-23 Neil Wilkins , Stephen Powell

We perform simulations for long hard-sphere polymer chains using a recently developed binary-tree based Monte Carlo method. Systems in two to five dimensions with free and periodic boundary conditions and up to $10^7$ repeat units are…

Soft Condensed Matter · Physics 2023-12-01 Stefan Schnabel , Wolfhard Janke

Through extensive Monte Carlo simulations, we systematically study the effect of chain stiffness on the packing ability of linear polymers composed of hard spheres in extremely confined monolayers, corresponding effectively to 2D films.…

Long linear polymers in dilute solutions are known to undergo a collapse transition from a random coil (expand itself) to a compact ball (fold itself up) when the temperature is lowered, or the solvent quality deteriorates. A natural model…

Probability · Mathematics 2015-06-12 Gia Bao Nguyen , Nicolas Petrelis

Dimerization and subsequent aggregation of polymers and biopolymers often occur under nonequilibrium conditions. When the initial state of the polymer is not collapsed or the final folded native state, the dynamics of dimerization can…

Soft Condensed Matter · Physics 2024-11-19 Sangita Mondal , Ved Mahajan , Biman Bagchi

Self-avoiding walks are studied on the 3-simplex fractal lattice as a model of linear polymer conformations in a dilute, non-homogeneous solution. A model is supplemented with bending energies and attractive-interaction energies between…

Statistical Mechanics · Physics 2023-02-21 Dušanka Marčetić

Random sequential adsorption of binary mixtures of extended objects on a two-dimensional triangular lattice is studied numerically by means of Monte Carlo simulations. The depositing objects are formed by self-avoiding random walks on the…

Statistical Mechanics · Physics 2009-11-13 I. Lončarević , Lj. Budinski-Petković , S. B. Vrhovac

Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body,…

Statistical Mechanics · Physics 2020-01-01 Nathann T. Rodrigues , Tiago J. Oliveira , Thomas Prellberg , Aleksander L. Owczarek

We consider two different problems involving the localization of a single polymer chain: (i) a periodic $AB$ copolymer at a selective fluid-fluid interface, with the upper (resp. lower) fluid attracting $A$ (resp. $B$) monomers (ii) a…

Soft Condensed Matter · Physics 2009-10-31 C. Monthus , T. Garel , H. Orland

In this paper we study a two-dimensional directed self-avoiding walk model of a random copolymer in a random emulsion. The copolymer is a random concatenation of monomers of two types, $A$ and $B$, each occurring with density 1/2. The…

Probability · Mathematics 2009-11-13 Frank den Hollander , Nicolas Pétrélis

We study jamming in model freely rotating polymers as a function of chain length $N$ and bond angle $\theta_0$. The volume fraction at jamming, $\phi_J(\theta_0)$, is minimal for rigid-rod-like chains ($\theta_0 = 0$), and increases…

Soft Condensed Matter · Physics 2017-02-15 Robert S. Hoy

Binary magnetic square lattice Ising system with nearest neighbour interactions were simulated using the Monte Carlo technique. Two types of ions were randomly distributed on the lattice sites, one type interacting ferromagnetic and the…

Statistical Mechanics · Physics 2013-01-23 Ike Q. Sikakana
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