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Ab initio techniques have revolutionised the way in which theory can help practitioners to explore critical mechanisms that govern reactions or properties, and to develop new strategies for materials discovery and design. Yet, their…

Materials Science · Physics 2026-04-03 Mira Todorova , Stefan Wippermann , Jörg Neugebauer

We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…

Quantum Physics · Physics 2007-05-23 Xiao Zheng , Fan Wang , GuanHua Chen

We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…

Soft Condensed Matter · Physics 2009-11-11 Sahak Petrosyan , Jean-Francois Briere , David Roundy , T. A. Arias

This work explores the use of joint density-functional theory, a new form of density-functional theory for the ab initio description of electronic systems in thermodynamic equilibrium with a liquid environment, to describe electrochemical…

Materials Science · Physics 2015-06-05 Kendra Letchworth-Weaver , T. A. Arias

The phenomenon of electrowetting, i.e., the dependence of the macroscopic contact angle of a fluid on the electrostatic potential of the substrate, is analyzed in terms of the density functional theory of wetting. It is shown that…

Soft Condensed Matter · Physics 2014-05-07 Markus Bier , Ingrid Ibagon

For over a hundred years, electron transport in conductive materials has been primarily described by the Drude model, which assumes that current flow is impeded primarily by momentum-relaxing collisions between electrons and extrinsic…

Strongly Correlated Electrons · Physics 2025-10-06 Aaron Hui , Brian Skinner

We report on a new methodological approach to electrodynamics based on a fluidic viewpoint. We develop a systematic approach establishing analogies between physical magnitudes and isomorphism (structure-preserving mappings) between systems…

Fluid Dynamics · Physics 2009-10-17 Alexandre A. Martins , Mario J. Pinheiro

We give a detailed description of electrodynamics as an emergent theory from condensed-matter-like structures, not only {\it per se} but also as a warm-up for the study of the much more complex case of gravity. We will concentrate on two…

General Relativity and Quantum Cosmology · Physics 2014-12-12 Carlos Barceló , Raúl Carballo-Rubio , Luis J. Garay , Gil Jannes

We present an accurate free-energy functional for liquid water written in terms of a set of effective potential fields in which fictitious noninteracting water molecules move. The functional contains an \emph{exact} expression of the…

Soft Condensed Matter · Physics 2011-04-19 Johannes Lischner , T. A. Arias

The differential capacitance comprises the most relevant thermodynamic information about an electrochemical system. Classical approaches to describe electrochemical capacitance have difficulties to combine the treatment of the ionic…

Chemical Physics · Physics 2023-02-17 Tobias Binninger

First steps towards developing a new perturbation theory for molecular liquids are taken. By choosing a new form of splitting the site-site potential functions between molecules, we will get a set of atomic fluids as the reference system…

Chemical Physics · Physics 2017-11-21 Mehrdad Khanpour

We derive a mathematical model for the motion of several insulating rigid bodies through an electrically conducting fluid. Starting from a universal model describing this phenomenon in generality, we elaborate (simplifying) physical…

Mathematical Physics · Physics 2024-02-13 Jan Scherz , Anja Schlömerkemper

An electrohydrodynamic numerical model is used to explore the electrospray emission behavior of both moderate and high electrical conductivity liquids under electrospray conditions. The Volume-of-Fluid method, incorporating a…

Fluid Dynamics · Physics 2022-11-30 Henry Huh , Richard E. Wirz

The hydrodynamic behavior of electron fluids in a certain range of temperatures and densities is well established in graphene and in 2D semiconductor heterostructures. The hydrodynamic regime is intrinsically based on electron-electron…

Mesoscale and Nanoscale Physics · Physics 2023-12-12 Jack N. Engdahl , Aydin Cem Keser , Oleg P. Sushkov

Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…

Statistical Mechanics · Physics 2008-08-20 James F. Lutsko

Glasses are solid materials whose constituent atoms are arranged in a disordered manner. The transition from a liquid to a glass remains one of the most poorly understood phenomena in condensed matter physics, and still no fully microscopic…

Statistical Mechanics · Physics 2015-11-12 Liesbeth M. C. Janssen , David R. Reichman

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…

Soft Condensed Matter · Physics 2021-12-22 Michiel Sprik

Electronic fluids bring into hydrodynamics a new setting: equipotential flow sources embedded inside the fluid. Here we show that nonlocal relation between current and electric field due to momentum-conserving inter-particle collisions…

Mesoscale and Nanoscale Physics · Physics 2019-07-12 Michal Shavit , Andrey Shytov , Gregory Falkovich

Metamaterials provide exceptional control over physical phenomena, enabling many disruptive technologies. However, researches in hydrodynamic meta-devices have mainly used intrusive methods to manipulate material structures, limited by…

Fluid Dynamics · Physics 2025-10-01 Chen-Long Wu , Bin Wang , Hao Wang , Neng-Zhi Yao , Liujun Xu , Xuesheng Wang , Jiping Huang

We combine Maxwell's equations with Eulers's equation, related to a velocity field of an immaterial fluid, where the density of mass is replaced by a charge density. We come out with a differential system able to describe a relevant…

General Physics · Physics 2009-11-26 Daniele Funaro
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