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A theoretical description for the radial density profile of a finite number of identical charged particles confined in a harmonic trap is developed for application over a wide range of Coulomb coupling (or, equivalently, temperatures) and…

Statistical Mechanics · Physics 2015-05-14 J. Wrighton , J. W. Dufty , H. Kählert , M. Bonitz

A theoretical description of shell structure for charged particles in a harmonic trap is explored at strong coupling conditions of $\Gamma$ = 50 and 100. The theory is based on an extension of the hypernetted chain approximation to confined…

Statistical Mechanics · Physics 2015-05-14 J. Wrighton , J. W. Dufty , M. Bonitz , H. Kählert

A theoretical description of the radial density profile for charged particles with Yukawa interaction in a harmonic trap is described. At strong Coulomb coupling shell structure is observed in both computer simulations and experiments.…

Statistical Mechanics · Physics 2015-05-30 Henning Bruhn , Hanno Kählert , Torben Ott , Michael Bonitz , Jeffrey Wrighton , James Dufty

We investigate the complexation of a highly charged sphere with a long flexible polyelectrolyte, \textit{both negatively charged} in salt free environment. Electroneutrality is insured by the presence of divalent counterions. Using…

Soft Condensed Matter · Physics 2007-05-23 Rene Messina , Christian Holm , Kurt Kremer

Molecular dynamics simulation and recent theory are used to examine density correlations in semidilute solutions of highly charged, intrinsically flexible and hydrophilic polyelectrolytes in low salt. Quantitative comparison with no…

Soft Condensed Matter · Physics 2021-07-06 James P. Donley , David R. Heine

1. Introduction 2. Charged chains at infinite dilution - asymptotic properties 2.1 Definition of the model and Flory-like calculation 2.2 Variational approaches 2.3 Renormalization group calculations 2.4 Screening of electrostatic…

Condensed Matter · Physics 2007-05-23 Jean-Louis Barrat , Jean-Francois Joanny

We present a theory for the equilibrium structure of polyelectrolyte solutions. The main element is a simple, new optimization scheme that allows theories such as the random phase approximation (RPA) to handle the harsh repulsive forces…

Soft Condensed Matter · Physics 2009-11-10 James P. Donley , David R. Heine , David T. Wu

The formation of inter-polyelectrolyte complexes from the association of oppositely charged polymers in an electrolyte is studied. The charged polymers are linear oppositely charged polyelectrolytes, with possibly a neutral block. This…

Soft Condensed Matter · Physics 2012-06-27 Vladimir A. Baulin , Emmanuel Trizac

Interplay of Coulomb interaction energy, free ion entropy, and conformational elasticity is a fascinating aspect in polyelectrolytes (PEs). We develop a theory for complexation of two oppositely charged PEs, a process known to be the…

Soft Condensed Matter · Physics 2022-09-15 Soumik Mitra , Arindam Kundagrami

Using Poisson-Boltzmann equation and linear response theory, we derive an effective interaction potential due to a fixed charge distribution in a solution containing polyelectrolytes and point salt. We obtain an expression for the effective…

Soft Condensed Matter · Physics 2016-01-08 Sandipan Dutta , and Y. S. Jho

We report results from a molecular dynamics (MD) simulation on the conformations of a long flexible polyelectrolyte complexed to a charged sphere, \textit{both negatively charged}, in the presence of neutralizing counterions in the strong…

Soft Condensed Matter · Physics 2009-11-07 Rene Messina , Christian Holm , Kurt Kremer

We study the properties of polyelectrolyte chains under different solvent conditions, using a variational technique. The free energy and the conformational properties of a polyelectrolyte chain are studied minimizing the free energy $F_N$,…

Soft Condensed Matter · Physics 2009-11-07 Gabriele Migliorini , Vakhtang Rostiashvili , Namkyung Lee , Thomas A. Vilgis

We present a set of molecular dynamics (MD) simulations of strongly charged, flexible polyelectrolyte chains under poor solvent conditions in a salt free solution. Structural properties of the chains and of the solutions are reported. By…

Soft Condensed Matter · Physics 2007-05-23 Uwe Micka , Christian Holm , Kurt Kremer

Observations made in dusty plasma experiments suggest that an ensemble of electrically charged solid particles, confined in an elongated trap, develops structural inhomogeneities. With narrowing the trap the particles tend to form layers…

Plasma Physics · Physics 2021-01-25 Hong Pan , Gabor J. Kalman , Peter Hartmann

We use numerical simulations to show how noninteracting hard particles binding to a deformable elastic shell may self-assemble into a variety of linear patterns. This is a result of the nontrivial elastic response to deformations of shells.…

Soft Condensed Matter · Physics 2011-02-25 Andela Šarić , Angelo Cacciuto

We investigate a system of dense polyelectrolytes in solution. The Langevin dynamics of the system with linearized hydrodynamics is formulated in the functional integral formalism and a transformation made to collective coordinates. Within…

Soft Condensed Matter · Physics 2015-06-25 Kristian K. M"uller-Nedebock , Thomas A. Vilgis

The effective quasistatic conductivity of composite polymeric electrolytes is studied in terms of a hard-core--penetrable-layer model. Used to incorporate the interface phenomena (such as amorphization of the polymer matrix around filler…

Materials Science · Physics 2019-11-05 M. Ya. Sushko , A. K. Semenov

We present theoretical and numerical studies on stiff, linear polyelectrolytes within the framework of the cell model. We first review analytical results obtained on a mean-field Poisson-Boltzmann level, and then use molecular dynamics…

Soft Condensed Matter · Physics 2009-11-07 Markus Deserno , Christian Holm

Representing polyether-salt systems by chains of interacting coordination shells, defined by the cation and by its nearest ligands, we derive the interaction potential between closest shells -- the inter-shells potential -- in terms of…

chem-ph · Physics 2009-10-28 L. D. Carlos , A. L. L. Videira

Coulomb charges confined by a harmonic potential display a rich structure at strong coupling, both classical and quantum. A simple density functional theory is reviewed showing the essential role of correlations in forming shell structure…

Statistical Mechanics · Physics 2022-04-05 Jeffrey Wrighton , James Dufty
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