Closure method for spatially averaged dynamics of particle chains

DOI10.1016/J.NONRWA.2010.10.021zbMATH Open1402.74011arXiv1010.4832OpenAlexW2963761501MaRDI QIDQ533058FDOQ533058

Authors: Alexander Panchenko, Lyudmyla L. Barannyk, R. P. Gilbert 

Publication date: 2 May 2011

Published in: Nonlinear Analysis. Real World Applications (Search for Journal in Brave)

Abstract: We study the closure problem for continuum balance equations that model mesoscale dynamics of large ODE systems. The underlying microscale model consists of classical Newton equations of particle dynamics. As a mesoscale model we use the balance equations for spatial averages obtained earlier by a number of authors: Murdoch and Bedeaux, Hardy, Noll and others. The momentum balance equation contains a flux (stress), which is given by an exact function of particle positions and velocities. We propose a method for approximating this function by a sequence of operators applied to average density and momentum. The resulting approximate mesoscopic models are systems in closed form. The closed from property allows one to work directly with the mesoscale equaitons without the need to calculate underlying particle trajectories, which is useful for modeling and simulation of large particle systems. The proposed closure method utilizes the theory of ill-posed problems, in particular iterative regularization methods for solving first order linear integral equations. The closed from approximations are obtained in two steps. First, we use Landweber regularization to (approximately) reconstruct the interpolants of relevant microscale quantitites from the average density and momentum. Second, these reconstructions are substituted into the exact formulas for stress. The developed general theory is then applied to non-linear oscillator chains. We conduct a detailed study of the simplest zero-order approximation, and show numerically that it works well as long as fluctuations of velocity are nearly constant.

Full work available at URL: https://arxiv.org/abs/1010.4832

Recommendations

• Discrete models of fluids: spatial averaging, closure, and model reduction
• Optimizing performance of the deconvolution model reduction for large ODE systems
• Cold, thermal and oscillator closure of the atomic chain
• From Micro to Macro Dynamics via a New Closure Approximation to the FENE Model of Polymeric Fluids
• scientific article; zbMATH DE number 1452897

zbMATH Keywords

dimension reductionmodel reductionupscalingoscillator chainclosure problemFPU chainparticle chain

Mathematics Subject Classification ID

Averaging method for ordinary differential equations (34C29) Generalities, axiomatics, foundations of continuum mechanics of solids (74A99)

Cites Work

• Title not available (Why is that?)
• Title not available (Why is that?)
• Title not available (Why is that?)
• An introduction to the mathematical theory of inverse problems
• Multiscale Methods
• An Iteration Formula for Fredholm Integral Equations of the First Kind
• On the choice of the regularization parameter for iterated Tikhonov regularization of ill-posed problems
• A critique of atomistic definitions of the stress tensor
• A microscopic perspective on the physical foundations of continuum mechanics. I: Macroscopic states, reproducibility, and macroscopic statistics, at prescribed scales of length and time
• Title not available (Why is that?)
• Title not available (Why is that?)
• A microscopic perspective on the physical foundations of continuum mechanics. II: A projection operator approach to the separation of reversible and irreversible contributions to macroscopic behaviour

Cited In (3)

• Discrete models of fluids: spatial averaging, closure, and model reduction
• Kinetic equation for spatially averaged molecular dynamics
• Data-driven model reduction, Wiener projections, and the Koopman-Mori-Zwanzig formalism

This page was built for publication: Closure method for spatially averaged dynamics of particle chains

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q533058)