Title: Computational mechanics modelling of nanoparticle-reinforced composite materials across the length scales

Authors: Sergey A. Lurie, David Hui, Maksim V. Kireitseu, Vladimir I. Zubov, Geoffrey Tomlinson, Liya Bochkareva, Richard Williams

Addresses: Dorodnicyn Computing Centre RAS, Vavilov 40, Moscow 119991, Russia. ' Composite Nano/Materials Research Laboratory, Department of Mechanical Engineering, University of New Orleans, New Orleans, LA, USA. ' National Academy of Sciences of Belarus, Lesnoe 19–62, Minsk 223052, Belarus. ' Dorodnicyn Computing Centre RAS, Vavilov 40, Moscow 119991, Russia. ' Rolls-Royce Centre in Damping and Dynamics Group, Department of Mechanical Engineering, The University of Sheffield, Shafficetal S10 2TN, UK. ' National Academy of Sciences of Belarus, Lesnoe 19–62, Minsk 223052, Belarus. ' School of Process, Environmental and Materials Engineering, Institute for Particle Science and Engineering, The University of Leeds, Leeds LS2 9JT, UK

Abstract: Currently, research work modelling of interface phenomena of nanoparticle-reinforced composite materials, notably Carbon Nanotubes (CNT)-epoxy composites are investigated across the length scales. This paper describes the kinematics of nanoparticle-reinforced composite materials as a continuum media, the formulation of governing equations (fundamentals) and the statement of boundary conditions for multi-scale modelling of the material. The identification problem for the non-classical parameters of the model has been solved by experimental results and a method of conjugated gradients. The model has been validated to predict some basic mechanical properties of a polymeric matrix reinforced with nanoscale particles/fibres/tubes (including CNT) as a function of size and also dispersion of nanoparticles. The outcome of this paper is expected to have wide-ranging technical benefits with direct relevance to industry in the areas of transportation (aerospace, automotive, rail, maritime) and civil infrastructure development.

Keywords: interphase layer; multiscale modelling; disperse composites; effective properties; identification problems; conjugated gradients method; nanotechnology; nanoscale technology; computational mechanics; modelling; carbon nanotubes; CNT-epoxy composites; kinematics; polymeric matrix reinforced composites; nanoparticles; transportation; civil infrastructure .

DOI: 10.1504/IJCSE.2006.012777

International Journal of Computational Science and Engineering, 2006 Vol.2 No.3/4, pp.228 - 241

Published online: 14 Mar 2007 *

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