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In this paper, we formulate a field-theoretical model of dilute salt solutions of electrically neutral spherical colloid particles. Each colloid particle consists of a 'central' charge that is situated at the center and compensating…

Soft Condensed Matter · Physics 2020-01-08 Yu. A. Budkov

This paper develops a general approach to the derivation of the boundary conditions for hydrodynamic equations for charged and neutral plasma components. It includes both a well-known classical case for pure diffusion, and considers the…

Plasma Physics · Physics 2020-03-24 V. V. Gorin , A. A. Kudryavtsev , Jingfeng Yao , Chengxun Yuan , Zhongxiang Zhou

We study the Muskat problem on the half-plane, which models motion of an interface between two fluids of distinct densities (e.g., oil and water) in a porous medium (e.g., an aquifer) that sits atop an impermeable layer (e.g., bedrock).…

Analysis of PDEs · Mathematics 2024-10-17 Andrej Zlatos

The structural and thermodynamic properties of mixtures of colloidal spheres and non-adsorbing polymer chains are studied within a novel general two-component macromolecular liquid state approach applicable for all size asymmetry ratios.…

Soft Condensed Matter · Physics 2009-11-07 M. Fuchs , K. S. Schweizer

In an effort to address integrability breaking in cold gas experiments, we extend the integrable hydrodynamics of the 1d Lieb-Liniger model with two additional components representing the population of atoms in the first and second…

We review some recent results on the equilibrium shapes of charged liquid drops. We show that the natural variational model is ill-posed and how this can be overcome by either restricting the class of competitors or by adding penalizations…

Analysis of PDEs · Mathematics 2017-09-15 Michael Goldman , Berardo Ruffini

We present a multiwavelet-based implementation of a quantum/classical polarizable continuum model. The solvent model uses a diffuse solute-solvent boundary and a position-dependent permittivity, lifting the sharp-boundary assumption…

This work constructs an advanced force field, the Completely Multipolar Model (CMM), to quantitatively reproduce each term of an energy decomposition analysis (EDA) for aqueous solvated alkali metal cations and halide anions and their ion…

Chemical Physics · Physics 2024-10-14 J. P. Heindel , L. Kim , M. Head-Gordon , T. Head-Gordon

We develop a method for modeling and simulating a class of two-phase flows consisting of two immiscible incompressible dielectric fluids and their interactions with imposed external electric fields in two and three dimensions. We first…

Numerical Analysis · Mathematics 2024-07-08 Jielin Yang , Ivan C. Christov , Suchuan Dong

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

We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…

Soft Condensed Matter · Physics 2024-06-18 Emily Krucker-Velasquez , James W. Swan , Zachary Sherman

Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at the nanoscale. Here we extend the theoretical framework of…

Materials Science · Physics 2023-05-26 Shern Ren Tee , Debra J. Searles

We address semigroup well-posedness for a linear, compressible viscous fluid interacting at its boundary with an elastic plate. We derive the model by linearizing the compressible Navier-Stokes equations about an arbitrary flow state, so…

Analysis of PDEs · Mathematics 2018-08-17 George Avalos , Pelin Guven Geredeli , Justin T. Webster

An ideal conductor electrode in contact with a semi-infinite two-dimensional two-component plasma in an external potential is considered. The model is mapped onto an integrable sine-Gordon theory with Dirichlet boundary conditions. The…

Statistical Mechanics · Physics 2011-07-19 L. Šamaj , B. Jancovici

Weakly conducting dielectric liquid drops suspended in another dielectric liquid and subject to an applied uniform electric field exhibit a wide range of dynamical behaviors contingent on field strength and material properties. These…

Fluid Dynamics · Physics 2017-10-11 Debasish Das , David Saintillan

We introduce a closure model for coarse-grained kinetic theories of polar active fluids. Based on a quasi-equilibrium approximation of the particle distribution function, the model closely captures important analytical properties of the…

Soft Condensed Matter · Physics 2022-06-17 Scott Weady , David B. Stein , Michael J. Shelley

A continuum theory of partially fluidized granular flows is developed. The theory is based on a combination of the equations for the flow velocity and shear stresses coupled with the order parameter equation which describes the transition…

Statistical Mechanics · Physics 2016-08-31 Igor S. Aranson , Lev S. Tsimring

We revisit the expression for the conductance of a general nanostructure -- such as a quantum point contact -- as obtained from the linear response theory. We show that the conductance represents the strength of the Drude singularity in the…

Materials Science · Physics 2007-05-23 P. Bokes , R. W. Godby

A new computational method is presented for study suspensions of charged soft particles undergoing fluctuating hydrodynamic and electrostatic interactions. The proposed model is appropriate for polymers, proteins and porous particles…

Soft Condensed Matter · Physics 2015-04-14 Juan P. Hernandez-Ortiz , Juan J. de Pablo

We theoretically investigate the nucleation of liquid droplets from vapor in the presence of a charged spherical particle. Due to field gradients, sufficiently close to the critical point of the vapor--gas system, the charge destabilizes…

Chemical Physics · Physics 2021-11-04 Roni Kroll , Yoav Tsori