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This work presents a fast and scalable approach for predicting surface stability and equilibrium crystal morphology in ionic materials using electrostatic analysis. The method constructs stoichiometric slab terminations and evaluates their…

Materials Science · Physics 2026-04-30 Sourav Baiju , Payam Kaghazchi

In this paper we propose a nonlinear elasticity model of macromolecular conformational change (deformation) induced by electrostatic forces generated by an implicit solvation model. The Poisson-Boltzmann equation for the electrostatic…

Analysis of PDEs · Mathematics 2010-01-12 Yongcheng Zhou , Michael Holst , James Andrew McCammon

A nonlinear Poisson--Boltzmann equation with transmission boundary conditions at the interface between two materials is investigated. The model describes the electrostatic potential generated by a vector of ion concentrations in a periodic…

Analysis of PDEs · Mathematics 2018-10-22 Klemens Fellner , Victor Kovtunenko

We present a robust scheme for solving the electrokinetic equations. This goal is achieved by combining the lattice-Boltzmann method (LB) with a discrete solution of the convection-diffusion equation for the different charged and neutral…

Statistical Mechanics · Physics 2009-11-10 Fabrizio Capuani , Ignacio Pagonabarraga , Daan Frenkel

It is theoretically shown that the excess liquid-liquid interfacial tension between two electrolyte solutions as a function of the ionic strength I behaves asymptotically as O(- I^0.5) for small I and as O(+- I) for large I. The former…

Soft Condensed Matter · Physics 2011-09-14 Markus Bier , Jos Zwanikken , Rene van Roij

The stability of a non-ohmic/ohmic fluid interface in the presence of a constant gravitational field and stressed by a vertical stationary electric field with unipolar injection is studied, focusing on the destabilizing action of the…

Fluid Dynamics · Physics 2007-05-23 Francisco Vega Reyes

Pseudo-potential lattice Boltzmann models have been widely applied in many multiphase simulations. However, most of these models still suffer from some drawbacks such as spurious velocities and untunable surface tension. In this paper, we…

Fluid Dynamics · Physics 2014-12-24 Anjie Hu , Longjian Li , Rizwan Uddin

A quite straightforward approximation for the electrostatic interaction between two perfectly conducting surfaces suggests itself when the distance between them is much smaller than the characteristic lengths associated to their shapes.…

Classical Physics · Physics 2015-06-03 C. D. Fosco , F. C. Lombardo , F. D. Mazzitelli

Several recent works have considered the pressure exerted on a wall by a model polymer. We extend this consideration to vesicles attached to a wall, and hence include osmotic pressure. We do this by considering a two-dimensional directed…

Statistical Mechanics · Physics 2015-06-17 Aleksander L Owczarek , Thomas Prellberg

We calculate electrostatic potential landscapes for an external probe charge in the presence of a set of metallic islands. Our numerical calculation in three dimensions (3D)uses an efficient grid relaxation technique. The well-known…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 A. Weichselbaum , S. E. Ulloa

Motivated by recent experiments, we present a theoretical investigation of how the electro-osmotic flow occurring in a capillary is modified when its charged surfaces are coated by charged polymers. The theoretical treatment is based on a…

Mesoscale and Nanoscale Physics · Physics 2015-07-17 Umberto Marini Bettolo Marconi , Michele Monteferrante , Simone Melchionna

In electromagnetic statics, the standard procedure to determine the electric scalar potential or magnetic vector potential in a bounded space is to solve Poisson's equation subject to certain boundary conditions. On the other hand, as a…

Classical Physics · Physics 2025-05-05 Weiwei Zhao , Hao Jin , Hao Guo

The discharge structure of inductively coupled plasma is studied via fluid simulation and analytic theory collaboration. At low pressure, the discharge is stratified by the double layer, which is modelled as dipole moment. The parabolic…

Plasma Physics · Physics 2021-11-04 Shu-Xia Zhao , An-Qi Tang

In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…

Soft Condensed Matter · Physics 2013-09-30 Vikram Jadhao , Francisco J. Solis , Monica Olvera de la Cruz

The interaction force between likely charged particles/surfaces is usually repulsive due to the Coulomb interaction. However, the counterintuitive like-charge attraction in electrolytes has been frequently observed in experiments, which has…

Soft Condensed Matter · Physics 2016-11-08 Pei Liu , Manman Ma , Zhenli Xu

The use of electrostatic ion beam traps require to set many potentials on the electrodes (ten in our case), making the tuning much more difficult than with quadrupole traps. In order to obtain the best trapping conditions, an analytical…

Atomic Physics · Physics 2010-12-03 Alexandre Vallette , Paul Indelicato

In this letter, we develop the concept of the potential of monolayer charge (PMC). Its main purpose is to serve as the fundamental reference potential for studying charged interfaces. We estimate PMC values for interfaces between Au(111)…

Materials Science · Physics 2026-01-30 Heigo Ers , Ritums Cepitis , Vladislav B. Ivaništšev

We present mesoscopic simulations of the counterion-induced electroosmotic flow in different electrostatic coupling regimes. Two simulation methods are compared, Dissipative Particle Dynamics (DPD) and coupled Lattice-Boltzmann/Molecular…

Other Condensed Matter · Physics 2011-03-03 Jens Smiatek , Marcello Sega , Christian Holm , Ulf D. Schiller , Friederike Schmid

When a Coulombic fluid is confined between two parallel charged plates, an exact relation links the difference of ionic densities at contact with the plates, to the surface charges of these boundaries. It no longer applies when the…

Statistical Mechanics · Physics 2015-10-28 Juan Pablo Mallarino , Gabriel Tellez , Emmanuel Trizac

Patterned surfaces with large effective slip lengths, such as super-hydrophobic surfaces containing trapped gas bubbles, have the potential to greatly enhance electrokinetic phenomena. Existing theories assume either homogeneous flat…

Fluid Dynamics · Physics 2015-05-13 Supreet S. Bahga , Olga I. Vinogradova , Martin Z. Bazant