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19932026
most citedOn-surface synthesis of graphene nanoribbons with zigzag edge topology

1.5k citations

Showing 2008Show all

12 papers · 1 filter

cond-mat.soft2008

Polyelectrolytes in electric fields: Measuring the dynamical effective charge and effective friction

Kai Grass, Christian Holm

We use a coarse-grained molecular dynamics model to study the electrophoretic behaviour of flexible polyelectrolyte chains. We first characterize the static properties of the model…

cond-mat.soft2008

Frequency dependent deformation of liquid crystal droplets in an external electric field

Günter K. Auernhammer, Jinyu Zhao, Beate Ullrich +1

Nematic drops suspended in the isotropic phase of the same substance were subjected to alternating electrical fields of varying frequency. The system was carefully kept in the isot…

cond-mat.soft2008★ 24 cited

Polymer desorption under pulling: a novel dichotomic phase transition

S. Bhattacharya, V. G. Rostiashvili, A. Milchev +1

We show that the structural properties and phase behavior of a self-avoiding polymer chain on adhesive substrate, subject to pulling at the chain end, can be obtained by means of a…

cond-mat.soft2008★ 26 cited

Simple and Robust Solver for the Poisson-Boltzmann Equation

M. Baptista, R. Schmitz, B. Duenweg

A variational approach is used to develop a robust numerical procedure for solving the nonlinear Poisson-Boltzmann equation. Following Maggs et al., we construct an appropriate con…

cond-mat.stat-mech2008★ 22 cited

Progress in the Understanding of the Fluctuating Lattice Boltzmann Equation

Burkhard Duenweg, Ulf D. Schiller, Anthony J. C. Ladd

We give a brief account of the development of methods to include thermal fluctuations into lattice Boltzmann algorithms. Emphasis is put on our recent work (Phys. Rev. E 76, 036704…

cond-mat.soft2008★ 44 cited

Colloidal electrophoresis: Scaling analysis, Green-Kubo relation, and numerical results

B. Duenweg, V. Lobaskin, K. Seethalakshmy-Hariharan +1

We consider electrophoresis of a single charged colloidal particle in a finite box with periodic boundary conditions, where added counterions and salt ions ensure charge neutrality…

cond-mat.soft2008★ 19 cited

Dynamics of a stretched nonlinear polymer chain

M. Febbo, A. Milchev, V. Rostiashvili +2

We study the relaxation dynamics of a coarse-grained polymer chain at different degrees of stretching by both analytical means and numerical simulations. The macromolecule is model…

cond-mat.mtrl-sci2008★ 38 cited

Computational study of (111) epitaxially strained ferroelectric perovskites BaTiO3 and PbTiO3

Riku Oja, Karen Johnston, Johannes Frantti +1

The phase transition behaviour of PbTiO3 and BaTiO3 under (111) epitaxial strain is investigated using density-functional theory calculations. From tensile strains of +0.015 to com…

physics.comp-ph2008★ 95 cited

P3M algorithm for dipolar interactions

Juan J. Cerda, V. Ballenegger, O. Lenz +1

An extension to the P3M algorithm for electrostatic interactions is presented, that allows to efficiently compute dipolar interactions in periodic boundary conditions. Theoretical…

cond-mat.soft2008★ 322 cited

Lattice Boltzmann simulations of soft matter systems

Burkhard Duenweg, Anthony J. C. Ladd

This article concerns numerical simulations of the dynamics of particles immersed in a continuum solvent. As prototypical systems, we consider colloidal dispersions of spherical pa…

cond-mat.soft2008★ 22 cited

Adsorption Kinetics of a Single Polymer on a Solid Plane

S. Bhattacharya, A. Milchev, V. G. Rostiashvili +2

We study analytically and by means of an off-lattice bead-spring dynamic Monte Carlo simulation model the adsorption kinetics of a single macromolecule on a structureless flat subs…

cond-mat.soft2008★ 144 cited

Direct measurements of hydrophobic slippage using double-focus fluorescence cross-correlation

Olga I. Vinogradova, Kaloian Koynov, Andreas Best +1

We report results of direct measurements of velocity profiles in a microchannel with hydrophobic and hydrophilic walls, using a new high precision method of double-focus spacial fl…