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In this paper, we develop a multiscale hierarchy framework for objective molecular dynamics (OMD), a reduced order molecular dynamics with a certain symmetry, that connects it to the statistical kinetic equation, and the macroscopic…

Analysis of PDEs · Mathematics 2024-09-24 Richard D. James , Kunlun Qi , Li Wang

We consider the Stokes system in a thin porous medium $\Omega_\varepsilon$ of thickness $\varepsilon$ which is perforated by periodically distributed solid cylinders of size $\varepsilon$. On the boundary of the cylinders we prescribe…

Analysis of PDEs · Mathematics 2018-10-10 María Anguiano , Francisco J. Suárez-Grau

Flows enabled by phoretic mechanisms are of significant interest in several biological and biomedical processes, such as bacterial motion and targeted drug delivery. Here, we develop a homogenization-based macroscopic boundary condition…

Within the framework of variational modelling we derive a one-phase moving boundary problem describing the motion of a semipermeable membrane enclosing a viscous liquid, driven by osmotic pressure and surface tension of the membrane. For…

Analysis of PDEs · Mathematics 2019-02-20 Friedrich Lippoth , Mark A. Peletier , Georg Prokert

We extend classical Flory-Rehner theory for the expansion and compression of porous materials such as cross-linked polymer networks. The theory includes volume exclusion, affinity with the solvent, and finite stretching of the polymer…

Chemical Physics · Physics 2023-09-28 P. M. Biesheuvel , H. Fan , M. Elimelech

The structure and interactions in electrolytes at high concentration have implications from energy storage to biomolecular interactions. However many experimental observations are yet to be explained in these mixtures, which are far beyond…

Soft Condensed Matter · Physics 2017-04-05 Alexander Smith , Alpha Lee , Susan Perkin

The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or equivalently in the homogenous reference fluid of molecular…

Chemical Physics · Physics 2015-04-21 Guillaume Jeanmairet , Maximilien Levesque , Volodymyr Sergiievskyi , Daniel Borgis

Liquid state theories such as integral equations and classical density functional theory often overestimate the bulk pressure of fluids because they require closure relations or truncations of functionals. Consequently, the cost to create a…

Chemical Physics · Physics 2020-07-16 Anton Robert , Sohvi Luukkonen , Maximilien Levesque

Slow flows of an ideal compressible fluid (gas) in the gravity field in the presence of two isentropic layers are considered, with a small difference of specific entropy between them. Assuming irrotational flows in each layer [that is ${\bf…

Atmospheric and Oceanic Physics · Physics 2010-12-30 V. P. Ruban

Diffusioosmotic flow arises in microfluidic configurations due to solute concentration gradients. In soft microfluidic channels, internal pressure gradients generated by diffusioosmotic flow to conserve mass result in elastic deformation of…

Fluid Dynamics · Physics 2025-07-28 Nataly Maroundik , Dotan Ilssar , Evgeniy Boyko

Interfaces involving coexisting phases in condensed matter are essential in various examples of soft matter phenomena such as wetting, nucleation, morphology, phase separation kinetics, membranes, phase coexistence in nanomaterials, etc.…

Statistical Mechanics · Physics 2014-10-08 E. Mayoral , A. Gama Goicochea

In two previous works [arXiv:1009.4363,arXiv:1107.0668], we studied the time evolution of a system of real scalar fields with quartic coupling which shares important features with the Color Glass Condensate description of heavy ion…

High Energy Physics - Phenomenology · Physics 2015-06-05 Kevin Dusling , Thomas Epelbaum , François Gelis , Raju Venugopalan

The change of the structure of concentrated colloidal suspensions upon addition of non-adsorbing polymer is studied within a two-component, Ornstein-Zernicke based liquid state approach. The polymers' conformational degrees of freedom are…

Soft Condensed Matter · Physics 2009-10-31 M. Fuchs , K. S. Schweizer

We show that for any liquid or solid with strong correlation between its $NVT$ virial and potential-energy equilibrium fluctuations, the temperature is a product of a function of excess entropy per particle and a function of density,…

Soft Condensed Matter · Physics 2012-03-13 Trond S. Ingebrigtsen , Lasse Bøhling , Thomas B. Schrøder , Jeppe C. Dyre

We consider viscous, heat conducting mixtures of molecularly miscible chemical species forming a fluid in which the constituents can undergo chemical reactions. Assuming a common temperature for all components, we derive a closed system of…

Fluid Dynamics · Physics 2016-04-01 Dieter Bothe , Wolfgang Dreyer

All of the basic microsopic physical laws are time reversible. In contrast, the second law of thermodynamics, which is a macroscopic physical representation of the world, is able to describe irreversible processes in an isolated system…

Chemical Physics · Physics 2015-06-19 Roland Riek

We derive the Hydrodynamics for a system of N active, spherical, underdamped particles, interacting through conservative forces. At the microscopic level, we represent the evolution of the particles in terms of the Kramers equation for the…

Statistical Mechanics · Physics 2022-03-15 Umberto Marini Bettolo Marconi , Andrea Puglisi , Lorenzo Caprini

The full compressible Navier-Stokes system describing the motion of a viscous, compressible, heat-conductive, and Newtonian polytropic fluid is studied in a three-dimensional simply connected bounded domain with smooth boundary having a…

Analysis of PDEs · Mathematics 2022-07-04 Jing Li , Boqiang Lü , Xue Wang

Topological constraint theory has become an increasingly popular tool to predict the compositional dependence of glass properties or pinpoint promising compositions with tailored functionalities. This approach reduces complex disordered…

Disordered Systems and Neural Networks · Physics 2020-06-16 Mathieu Bauchy

A universal theoretical framework has been proposed that the solid-to-liquid glass transition and macromolecular motion within the entire temperature range from Tg to Tm and the liquid flow are absolutely determined by the intrinsic 8…

Statistical Mechanics · Physics 2010-05-13 Jia-Lin Wu