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We present a numerical Monte Carlo analysis of a continuos spin Ising chain that can describe the statistical proterties of folded proteins. We find that depending on the value of the Metropolis temperature, the model displays the three…

Statistical Mechanics · Physics 2011-02-01 M. N. Chernodub , Martin Lundgren , Antti J. Niemi

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

We propose a lattice gas model to account for linear chain structures adsorbed on (112) faces of W and Mo. The model includes a dipole-dipole interaction as well as a long-ranged indirect interaction. We have explicitly demonstrated that…

mtrl-th · Physics 2009-10-28 F. Bagehorn , J. Lorenc , Cz. Oleksy

We use a coarse-grained molecular model to study the self-assembly process of complexes of cationic and neutral lipids with DNA molecules ("lipoplexes") - a promising nonviral carrier of DNA for gene therapy. We identify the resulting…

Soft Condensed Matter · Physics 2011-05-31 Oded Farago , Niels Grønbech-Jensen

We show how to achieve lattice-spacing independent results in numerical simulations of finite-temperature stochastic scalar field theories. We generalize the previous approach of hep-lat/9607026 by obtaining results which are independent of…

Statistical Mechanics · Physics 2009-10-31 Carmen J. Gagne , Marcelo Gleiser

Using a simple three-dimensional lattice copolymer model and Monte Carlo dynamics, we study the collapse and folding of protein-like heteropolymers. The polymers are 27 monomers long and consist of two monomer types. Although these chains…

Condensed Matter · Physics 2009-10-22 Nicholas D. Socci , Jose' Nelson Onuchic

In a system of interacting thin rigid rods of equal length $2 \ell$ on a two-dimensional grid of lattice spacing $a$, we show that there are multiple phase transitions as the coupling strength $\kappa=\ell/a$ and the temperature are varied.…

Statistical Mechanics · Physics 2022-11-23 Juliane U. Klamser , Tridib Sadhu , Deepak Dhar

The phase structure of a homopolymer chain is investigated in terms of a universal theoretical model, designed to describe the infrared limit of slow spatial variations. The effects of chirality are studied and compared with the influence…

Soft Condensed Matter · Physics 2015-12-25 A. Sinelnikova , A. J. Niemi , M. Ulybyshev

Semiflexible macromolecules in dilute solution under very good solvent conditions are modeled by self-avoiding walks on the simple cubic lattice ($d=3$ dimensions) and square lattice ($d=2$ dimensions), varying chain stiffness by an energy…

Soft Condensed Matter · Physics 2015-05-30 Hsiao-Ping Hsu , Kurt Binder

A binary lattice gas model that allows for multiple occupancy of lattice sites, inspired by recent coarse-grained descriptions of solutions of interacting polymers, is investigated by combining the steepest descent approximation with an…

Soft Condensed Matter · Physics 2007-05-23 Reimar Finken , Jean-Pierre Hansen , Ard Louis

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 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 investigate the phase behaviour of random copolymers melts via large scale Monte Carlo simulations. We observe macrophase separation into A and B--rich phases as predicted by mean field theory only for systems with a very large…

Soft Condensed Matter · Physics 2009-11-07 J. Houdayer , M. Mueller

Recent theoretical studies found that mixtures of active and passive colloidal particles phase separate but only at very high activity ratio. The high value poses serious obstacles for experimental exploration of this phenomenon. Here we…

Soft Condensed Matter · Physics 2017-03-08 Jan Smrek , Kurt Kremer

We study the model of a partially directed flexible or semi-flexible homopolymer on a square lattice, subject to an externally applied force, in a direction either parallel to, or perpendicular to the preferred direction. The polymer is…

Statistical Mechanics · Physics 2015-05-19 Pui-Man Lam , Yi Zhen

We investigate a lattice model of polymers where the nearest-neighbour monomer-monomer interaction strengths differ according to whether the local configurations have so-called ``hydrogen-like'' formations or not. If the interaction…

Soft Condensed Matter · Physics 2009-11-13 J Krawczyk , A L Owczarek , T Prellberg

Conserved lattice gas (CLG) models in one dimension exhibit absorbing state phase transition (APT) with simple integer exponents $\beta=1=\nu=\eta$ whereas the same on a ladder belong to directed percolation (DP)universality. We conjecture…

Statistical Mechanics · Physics 2017-10-18 Arijit Chatterjee , P. K. Mohanty

Run-and-Tumble Particles (RTPs) are a key model of active matter. They are characterized by alternating phases of linear travel and random direction reshuffling. By this dynamic behavior, they break time reversibility and energy…

Probability · Mathematics 2025-07-18 Arnaud Guillin , Leo Hahn , Manon Michel

Using Monte Carlo dynamics and the Monte Carlo Histogram Method, the simple three-dimensional 27 monomer lattice copolymer is examined in depth. The thermodynamic properties of various sequences are examined contrasting the behavior of good…

chem-ph · Physics 2009-10-28 Nicholas D. Socci , José Nelson Onuchic

Microphase separated structure consisting of the periodic alternation of the layers of stretched homopolymer chains surrounded by perpendicularly oriented oligomeric tails is studied for both, strongly bonded (ionic) systems and weakly…

Statistical Mechanics · Physics 2007-05-23 A. Olemskoi , I. Krakovsky , A. Savelyev