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A new molecular dynamics model in which the point charges on atomic sites are allowed to fluctuate in response to the environment is developed and applied to water. The idea for treating charges as variables is based on the concept of…

chem-ph · Physics 2009-10-22 Steven W. Rick , Steven J. Stuart , B. J. Berne

The existence of a generalized fluctuation-dissipation theorem observed in simulations and experiments performed in various glassy materials is related to the concepts of local equilibration and heterogeneity in space. Assuming the…

Statistical Mechanics · Physics 2009-11-10 Ludovic Berthier

We develop a unified continuum modeling framework for viscous fluids and hyperelastic solids using the Gibbs free energy as the thermodynamic potential. This framework naturally leads to a pressure primitive variable formulation for the…

Computational Physics · Physics 2020-03-03 Ju Liu , Alison L. Marsden

We develop a framework for analyzing the momentum balance of laminar particle-laden flows based on immersed boundary methods, which solve the Navier-Stokes equations and resolve the particle surfaces. This framework differs from previous…

Fluid Dynamics · Physics 2018-06-04 E. Biegert , B. Vowinckel , E. Meiburg

The turbulent energy cascade in dilute polymers solution is addressed here by considering a direct numerical simulation of homogeneous isotropic turbulence of a FENE-P fluid in a triply periodic box. On the basis of the DNS data, a scale by…

Chaotic Dynamics · Physics 2007-05-23 E. De Angelis , C. M. Casciola , R. Benzi , R. Piva

The aim of this paper is to propose a novel methodology to deal with micro-structural boundary conditions for the analysis of granular materials. The response of the granular assembly is modelled through the discrete element method (DEM),…

Soft Condensed Matter · Physics 2017-02-27 J. Liu , E. Bosco , A. S. J. Suiker

In order to provide a formally correct thermodynamical description of inhomogeneous fluids valid on all length scales down to the classical limit we postulate that all extensive quantities have locally extensive analogues. We derive local…

Statistical Mechanics · Physics 2016-08-14 Aljaž Godec , Janko Jamnik , Franci Merzel

Averaging principle is an effective method for investigating dynamical systems with highly oscillating components. In this paper, we study three types of averaging principle for stochastic complex Ginzburg-Landau equations. Firstly, we…

Dynamical Systems · Mathematics 2022-11-22 Mengyu Cheng , Zhenxin Liu , Michael Röckner

Using Stokesian dynamics simulations, we examine the flow of a monodisperse, neutrally buoyant, homogeneous suspension of non-Brownian solid spheres in simple shear, starting from a large number of independent hard-sphere distributions and…

Materials Science · Physics 2019-06-19 M. Marchioro , A. Acrivos

A recent paper [J. A. Evans, D. Kamensky, Y. Bazilevs, "Variational multiscale modeling with discretely divergence-free subscales", Computers & Mathematics with Applications, 80 (2020) 2517-2537] introduced a novel stabilized finite element…

Numerical Analysis · Mathematics 2021-12-21 Sajje Lee Calfy , John A. Evans , David Kamensky

We study linear damped and viscoelastic wave equations evolving on a bounded domain. For both models, we assume that waves are subject to an inhomogeneous Neumann boundary condition on a portion of the domain's boundary. The analysis of…

Analysis of PDEs · Mathematics 2024-10-15 Türker Özsarı , İdem Susuzlu

I apply the scattering approach within the framework of macroscopic quantum electrodynamics to derive the variances and mean values of the energy density and intensity for a system of an arbitrary object in an arbitrary environment. To…

Mesoscale and Nanoscale Physics · Physics 2023-12-15 Florian Herz

The response of many materials to applied forces and boundary constraints depends upon internal geometric changes at multiple submacroscopic levels. Hierarchical structured deformations provide a mathematical setting for the description of…

Classical Analysis and ODEs · Mathematics 2025-05-15 Ana Cristina Barroso , José Matias , Marco Morandotti , David R. Owen , Elvira Zappale

Individual constituent balance equations are often used to derive expressions for species-specific segregation velocities in flows of dense granular mixtures. We propose a semiempirical expression for the interspecies momentum exchange in…

Soft Condensed Matter · Physics 2020-11-19 Yifei Duan , Paul B. Umbanhowar , Julio M. Ottino , Richard M. Lueptow

We present recent results on coarse-graining techniques for thermodynamic quantities (canonical averages) and dynamical quantities (averages of path functionals over solutions of overdamped Langevin equations). The question is how to obtain…

Probability · Mathematics 2010-08-24 Frederic Legoll , Tony Lelievre

We analyze a class of linear shell models subject to stochastic forcing in finitely many degrees of freedom. The unforced systems considered formally conserve energy. Despite being formally conservative, we show that these dynamical systems…

Mathematical Physics · Physics 2009-11-11 Jonathan C. Mattingly , Toufic Suidan , Eric Vanden-Eijnden

Various experiments evidence spatial heterogeneities in sheared yield stress fluids. To account for heterogeneities in the velocity gradient direction, we use a simple model corresponding to a non-monotonous local constitutive curve and…

Soft Condensed Matter · Physics 2009-11-07 G. Picard , A. Ajdari , L. Bocquet , F. Lequeux

Over times shorter than that required for relaxation of enthalpy, a liquid can exhibit striking heterogeneities. The picture of these heterogeneities is complex with transient patches of rigidity, irregular yet persistent, intersected by…

Soft Condensed Matter · Physics 2010-09-30 Peter Harrowell

We focus on improving the accuracy of an approximate model of a multiscale dynamical system that uses a set of parameter-dependent terms to account for the effects of unresolved or neglected dynamics on resolved scales. We start by…

Computational Physics · Physics 2019-06-26 Balasubramanya T. Nadiga , Chiyu Jiang , Daniel Livescu

For general relativistic spacetimes filled with an irrotational perfect fluid a generalized form of Friedmann's equations governing the expansion factor of spatially averaged portions of inhomogeneous cosmologies is derived. The averaging…

General Relativity and Quantum Cosmology · Physics 2008-11-26 Thomas Buchert