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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…

偏微分方程分析 · 数学 2010-01-12 Yongcheng Zhou , Michael Holst , James Andrew McCammon

We analyse the dynamics of different routes to collapse of a constrained polyelectrolyte gel in contact with an ionic bath. The evolution of the gel is described by a model that incorporates non-linear elasticity, Stefan-Maxwell diffusion…

软凝聚态物质 · 物理学 2025-01-22 Giulia L. Celora , Matthew G. Hennessy , Andreas Münch , Barbara Wagner , Sarah L. Waters

A hybrid kinetic-fluid model is used to study plasma stratification in alternating current (AC) discharges in noble gases at low plasma densities. Self-consistent coupled solutions of a nonlocal kinetic equation for electrons, a…

等离子体物理 · 物理学 2024-10-24 Vladimir I. Kolobov , Robert R. Arslanbekov

The structure of an aqueous solution of sodium chloride at a planar electrode is investigated by integral equation techniques. With the central force water model the aqueous electrolyte is modelled as a mixture of sodium and chloride ions…

chem-ph · 物理学 2009-10-28 M. Vossen , F. Forstmann

We study the electrophoretic mobility of spherical particles and the electrical conductivity in salt-free concentrated suspensions including finite ion size effects. An ideal salt-free suspension is composed of just charged colloidal…

软凝聚态物质 · 物理学 2017-09-13 Rafael Roa , Félix Carrique , Emilio Ruiz-Reina

We develop a first-principle equation of state of salt-free polyelectrolyte solution in the limit of infinitely long flexible polymer chains in the framework of a field-theoretical formalism beyond the linear Debye-Hueckel theory and…

软凝聚态物质 · 物理学 2015-08-04 Yu. A. Budkov , A. L. Kolesnikov , N. Georgi , E. A. Nogovitsyn , M. G. Kiselev

We reformulate and extend porous electrode theory for non-ideal active materials, including those capable of phase transformations. Using principles of non-equilibrium thermodynamics, we relate the cell voltage, ionic fluxes, and Faradaic…

化学物理 · 物理学 2012-08-24 Todd R. Ferguson , Martin Z. Bazant

Reliable first-principles calculations of electrochemical processes require accurate prediction of the interfacial capacitance, a challenge for current computationally-efficient continuum solvation methodologies. We develop a model for the…

化学物理 · 物理学 2018-04-12 Ravishankar Sundararaman , Kendra Letchworth-Weaver , Kathleen Schwarz

The effect of AC electric fields on the elasticity of supported lipid bilayers has been investigated at the microscopic level using grazing incidence synchrotron x-ray scattering. A strong decrease in the membrane tension up to 1mN/m and a…

软凝聚态物质 · 物理学 2016-06-08 Arnaud Hemmerle , Thierry Charitat , Giovanna Fragneto , Jean Daillant

The electrical impedance response of Gelatin based solid polymer electrolyte to gamma irradiation is investigated by impedance spectroscopy. An analysis based on Poisson-Nernst-Plank model, incorporating fractional time derivatives is…

材料科学 · 物理学 2015-03-25 Tania Basu , Abhra Giri , Sujata Tarafdar , Shantanu Das

The study of the electrical double layer lies at the heart of colloidal and interfacial science. The standard mean-field Poisson-Boltzmann (PB) theory is incapable of modeling many phenomena originated from ion correlation. An important…

软凝聚态物质 · 物理学 2022-09-26 Nikhil R. Agrawal , Rui Wang

We introduce a generalized non-uniform mean-field formalism to describe the dissociation of weak rod-like polyelectrolytes (PEs). Our approach allows for two-sublattice symmetry breaking which in titration curves is associated with a…

软凝聚态物质 · 物理学 2007-05-23 Y. Burak , R. R. Netz

Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an {\em ab-initio} treatment of even the…

原子物理 · 物理学 2016-11-02 N. Suárez , A. Chacón , M. F. Ciappina , B. Wolter , J. Biegert , M. Lewenstein

A recent study has demonstrated that phase separation in binary liquid mixtures is arrested in the presence of elastic networks and can lead to a nearly uniformly-sized distribution of the dilute-phase droplets. At longer timescales, these…

软凝聚态物质 · 物理学 2020-10-28 Mrityunjay Kothari , Tal Cohen

The axisymmetric electrohydrodynamic deformation of an elastic capsule with capacitive membrane obeying Skalak law under uniform AC electric field is investigated using analytical and boundary integral theory. The low capillary number (the…

软凝聚态物质 · 物理学 2018-06-06 Sudip Das , Rochish M. Thaokar

Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…

化学物理 · 物理学 2021-12-14 Giovanni Pireddu , Laura Scalfi , Benjamin Rotenberg

This work presents an ab initio exploration of fundamental mechanisms with direct relevance to dendrite formation at lithium-electrolyte interfaces. Specifically, we explore surface diffusion barriers and solvated surface energies of…

材料科学 · 物理学 2015-04-23 Yalcin Ozhabes , Deniz Gunceler , T. A. Arias

Given $\beta\in\mathbb{R}$ and $\varrho,k>0$, we analyze an abstract version of the nonlinear stationary model in dimensionless form $$\begin{cases} u"" - \Big(\beta+ \varrho\int_0^1 |u'(s)|^2\,{\rm d} s\Big)u" +k(u-v) = 0 v"" - \Big(\beta+…

偏微分方程分析 · 数学 2016-07-15 Filippo Dell'Oro , Claudio Giorgi , Vittorino Pata

Vertex Models, as used to describe cellular tissue, have an energy controlled by deviations of each cell area and perimeter from target values. The constrained nonlinear relation between area and perimeter leads to new mechanical response.…

软凝聚态物质 · 物理学 2022-07-04 Arthur Hernandez , Michael F. Staddon , Mark J. Bowick , M. Cristina Marchetti , Michael Moshe

We study the linear stability of transient electrodeposition in a charged random porous medium, whose pore surface charges can be of any sign, flanked by a pair of planar metal electrodes. Discretization of the linear stability problem…

化学物理 · 物理学 2019-07-09 Edwin Khoo , Hongbo Zhao , Martin Z. Bazant