Work

Influence of representative volume element size on predicted elastic properties of polymer materials

Year: 2009

Type: article

Abstract: Molecular dynamics simulations and micromechanical modeling are used to predict the bulk-level Young's modulus of polycarbonate and polyimide polymer systems as a function of representative volume element (RVE) size and force field type. The bulk-level moduli are determined using the predicted moduli of individual finite-sized RVEs (microstates) using a simple averaging scheme and an energy-biased micromechanics approach. The predictions are compared with the experimental results. The results indicate that larger RVE sizes result in predicted bulk-level properties that are closer to the experiment than the smaller RVE sizes. Also, the energy-biased micromechanics approach predicts values of bulk-level moduli that are in better agreement with experiment than those predicted with simple microstate averages. Finally, the results indicate that negatively valued microstate Young's moduli are expected due to nanometer-scale material instabilities, as observed previously in the literature.

Source: Modelling and Simulation in Materials Science and Engineering

DOI: 10.1088/0965-0393/17/4/045004

Authors: P K Valavala, G M Odegard, E C Aifantis

Institution: Michigan Technological University

Language: English

Topic: Composite Material Mechanics

Subfield: Mechanics of Materials

Field: Engineering

Domain: Physical Sciences

Open Access status: bronze

Funders: National Science Foundation, National Aeronautics and Space Administration

Awards: NIRT: Novel Experiments and Models for the Nanomechanics of Polymeric and Biological Nanofibers, EQUIVALENT CONTINUUM MODELING OF NANOSTRUCTURE POLYMER COMPOSITES