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We develop an efficient Ewald method of molecular dynamics simulation for calculating the electrostatic interactions among charged and polar particles between parallel metallic plates, where we may apply an electric field with an arbitrary…

软凝聚态物质 · 物理学 2013-10-01 Kyohei Takae , Akira Onuki

We consider the flow of polarization current J(t)=dP/dt produced by a homogeneous electric field E(t) or by rapidly varying some other parameter in the Hamiltonian of a solid. For an initially insulating system and a collisionless time…

材料科学 · 物理学 2009-11-10 Ivo Souza , Jorge Iniguez , David Vanderbilt

Electrostatics in the solution phase is governed by free electrical charges such as ions, as well as by bound charges that arise when a polarizable medium responds to an applied field. In a local medium, described by a constant dielectric…

软凝聚态物质 · 物理学 2025-02-04 Ali Behjatian , Ralf Blossey , Madhavi Krishnan

Non-local electrostatic interactions associated with the finite solvent size and ion polarizability are investigated within the mean-field linear response theory. To this end, we introduce a field theoretic model of a polar liquid composed…

软凝聚态物质 · 物理学 2015-06-15 Sahin Buyukdagli , Tapio Ala-Nissila

Ferroelectric nematic phases are a new class of polar fluids in which spontaneous polarization is directly coupled to the orientational order, providing unique opportunities for creating self-organized materils with spatially modulated…

The basic continuum model for polar fluids is deceptively simple. The free energy integral consists of four terms: The coupling of polarization to an external field, the electrostatic energy of the induced electric field interacting with…

软凝聚态物质 · 物理学 2021-12-22 Michiel Sprik

The structure of polar liquids and electrolytic solutions, such as water and aqueous electrolytes, at interfaces underlies numerous phenomena in physics, chemistry, biology, and engineering. In this work, we develop a continuum theory that…

软凝聚态物质 · 物理学 2022-07-13 J. Pedro de Souza , Alexei A. Kornyshev , Martin Z. Bazant

We develop a comprehensive continuum model capable of treating both electrostatic and structural interactions in liquid dielectrics. Starting from a two-order parameter description in terms of charge density and polarization, we derive a…

软凝聚态物质 · 物理学 2023-02-08 Ralf Blossey , Rudolf Podgornik

Understanding the dynamic behavior of polar fluids is essential for modeling complex systems such as electrolytes and biological media. In this work, we develop and apply a Stochastic Density Functional Theory (SDFT) framework to describe…

软凝聚态物质 · 物理学 2025-07-23 Sleeba Varghese , Pierre Illien , Benjamin Rotenberg

We formulate a general mean-field theory of a flat electric double layer in ionic liquids and electrolyte solutions with ions possessing static polarizability and a permanent dipole moment on a charged electrode. We establish a new…

统计力学 · 物理学 2021-08-17 Yu. A. Budkov , S. V. Zavarzin , A. L. Kolesnikov

We study a model Coulomb fluid consisting of dipolar solvent molecules of finite extent generalizing the point-like Dipolar Poisson-Boltzmann model (DPB) previously introduced by Coalson and Duncan (J. Phys. Chem 100, 2612 (1996)) and…

软凝聚态物质 · 物理学 2014-06-18 Sahin Buyukdagli , Ralf Blossey

We investigate electric-field effects in dilute electrolytes with nonlinear polarization. As a first example of such systems, we add a dipolar component with a relatively large dipole moment $\mu_0$ to an aqueous electrolyte. As a second…

软凝聚态物质 · 物理学 2024-01-12 Akira Onuki

We study the spatio-temporal dynamics of a model of polar active fluid in two dimensions. The system exhibits a transition from an isotropic to a polarized state as a function of density. The uniform polarized state is, however, unstable…

软凝聚态物质 · 物理学 2011-12-08 Luca Giomi , M. Cristina Marchetti

Mobile charge in an electrolytic solution can in principle be represented as the divergence of ionic polarization. After adding explicit solvent polarization a finite volume of electrolyte can then be treated as a composite non-uniform…

软凝聚态物质 · 物理学 2021-03-03 Michiel Sprik

The dynamics of the electrons for a molecule in solution is coupled to the dynamics of its polarizable environment, i.e., the solvent. To theoretically investigate such electronic dynamics, we have recently developed equations of motion…

化学物理 · 物理学 2017-02-16 Silvio Pipolo , Stefano Corni , Roberto Cammi

The description of a conducting medium in thermal equilibrium, such as an electrolyte solution or a plasma, involves nonlinear electrostatics, a subject rarely discussed in the standard electricity and magnetism textbooks. We consider in…

化学物理 · 物理学 2018-08-01 C. G. Gray , P. J. Stiles

The paper presents a mean field theory of electrolyte solutions, extending the classical Debye-H\"{u}ckel-Onsager theory to provide a detailed description of the electrical conductivity in strong electrolyte solutions. The theory…

软凝聚态物质 · 物理学 2024-09-27 N. N. Kalikin , Yu. A. Budkov

The ferroelectric nematic phase (N$_{\text{F}}$) has quickly become the most studied system in liquid crystal research. In this work, we investigate the origin of such polar structure by studying a compound for which the N$_{\text{F}}$…

软凝聚态物质 · 物理学 2024-11-14 Aitor Erkoreka , Nerea Sebastián , Alenka Mertelj , Josu Martinez-Perdiguero

The existing polar continuum theory contains unresolved indeterminacies in the spherical part of the couple-stress tensor. This severely restricts its applicability in the study of micro and nano-scale solid and fluid mechanics and, perhaps…

流体动力学 · 物理学 2010-09-17 Ali R. Hadjesfandiari , Gary F. Dargush

We study the spatially homogeneous phases of polar active particles in the low density limit, and specifically the transition from the isotropic phase to collective polar motion. We show that the fundamental quantity of interest for the…

软凝聚态物质 · 物理学 2015-11-04 Khanh-Dang Nguyen Thu Lam , Michael Schindler , Olivier Dauchot
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