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We have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculations are performed using all-electron density functional…

Atomic and Molecular Clusters · Physics 2016-09-28 Arup Banerjee , Tapan K. Ghanty , Aparna Chakrabarti

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

We investigate the relationship between the $N$-clock model (also known as planar Potts model or $\mathbb{Z}_N$-model) and the $XY$ model (at zero temperature) through a $\Gamma$-convergence analysis of a suitable rescaling of the energy as…

Mathematical Physics · Physics 2021-05-11 Marco Cicalese , Matthias Ruf , Gianluca Orlando

We map dilute or semi-dilute solutions of non-intersecting polymer chains onto a fluid of ``soft'' particles interacting via a concentration dependent effective pair potential, by inverting the pair distribution function of the centers of…

Soft Condensed Matter · Physics 2009-10-31 A. A. Louis , P. G. Bolhuis , J. P. Hansen , E. J. Meijer

We present a method for determining the free energy of coexisting states from irreversible work measurements. Our approach is based on a fluctuation relation that is valid for dissipative transformations in partially equilibrated systems.…

Soft Condensed Matter · Physics 2009-02-21 Ivan Junier , Alessandro Mossa , Maria Manosas , Felix Ritort

A straightforward expansion of Edwards' functional integral representation of the grand partition function for a polymer liquid as an infinite set of Feynman diagrams is shown to yield a cluster expansion that is closely related to the…

Statistical Mechanics · Physics 2009-11-11 David C. Morse

A simple model of a polymer with long rigid segments which interact via excluded volume repulsions and short ranged attractions is proposed. The coil-globule transition of this model polymer is strongly first order, the globule is…

Soft Condensed Matter · Physics 2009-10-30 Richard P. Sear

We present a statistical model of a dilute polymer solution in good solvent in the presence of low-molecular weight cosolvent. We investigate the conformational changes of the polymer induced by a change of the cosolvent concentration and…

Statistical Mechanics · Physics 2014-11-10 Yu. A. Budkov , A. L. Kolesnikov , N. Georgi , M. G. Kiselev

It is common to study polymer physics through the use of idealized single-chain models, and the most popular of these is the freely jointed chain model. In certain thermodynamic ensembles, statistical mechanical treatment of this model is…

Statistical Mechanics · Physics 2026-04-14 Michael R. Buche , Alvin Chen

It is well known that path probabilities of Brownian motion correspond to the equilibrium configurational probabilities of flexible Gaussian polymers, while those of active Brownian motion correspond to in-extensible semiflexible polymers.…

Statistical Mechanics · Physics 2020-12-14 Amir Shee , Abhishek Dhar , Debasish Chaudhuri

We derive a microscopic theory for the structural dynamics in the vicinity of the glass transition for a liquid exposed to a one-dimensional periodic potential. The periodic potential breaks translational invariance, in particular, the…

Soft Condensed Matter · Physics 2025-09-10 Abolfazl Ahmadirahmat , Michele Caraglio , Vincent Krakoviack , Thomas Franosch

We perform numerical simulations of an active fully flexible self-avoiding polymer as a function of the quality of the embedding solvent described in terms of an effective monomer-monomer interaction. Specifically, by extracting the Flory…

Soft Condensed Matter · Physics 2020-10-19 S. Das , N. Kennedy , A. Cacciuto

We demonstrate how an iterative method for potential inversion from distribution functions developed for simple liquid systems can be generalized to polymer systems. It uses the differences in the potentials of mean force between the…

Soft Condensed Matter · Physics 2007-05-23 Dirk Reith , Mathias Puetz , Florian Mueller-Plathe

We prove an identity in distribution between two kinds of partition functions for the log-gamma directed polymer model: (1) the point-to-point partition function in a quadrant, (2) the point-to-line partition function in an octant. As an…

Probability · Mathematics 2022-02-08 Guillaume Barraquand , Shouda Wang

We present a kinetic model of crystal growth of polymers of finite molecular weight. Experiments help to classify polymer crystallization broadly into two kinetic regimes. One is observed in melts or in high molar mass polymer solutions and…

Soft Condensed Matter · Physics 2009-11-11 Arindam Kundagrami , M. Muthukumar

The study of Kadar-Parsi-Zhang (KPZ) universality class has been a subject of great interest among mathematicians and physicists over the past three decades. A notably successful approach for analyzing KPZ models is the coupling method,…

Probability · Mathematics 2023-10-27 Xiao Shen

The wormlike chain model of stiff polymers is a nonlinear $\sigma$-model in one spacetime dimension in which the ends are fluctuating freely. This causes important differences with respect to the presently available theory which exists only…

Soft Condensed Matter · Physics 2009-11-11 H. Kleinert , A. Chervyakov

An extended theoretical study of interface potentials in adsorbed colloid-polymer mixtures is performed. To describe the colloid-polymer mixture near a hard wall, a simple Cahn-Nakanishi-Fisher free-energy functional is used. The bulk phase…

Soft Condensed Matter · Physics 2015-06-19 Jesper Koning , Yves Vandecan , Joseph Indekeu

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 present a lattice model for polymer solutions, explicitly incorporating interactions with a bath of solvent and cosolvent molecules. By exploiting the well-known analogy between polymer systems and the $O(n)$-vector spin model in the…

Soft Condensed Matter · Physics 2025-04-21 Davide Marcato , Achille Giacometti , Amos Maritan , Angelo Rosa