Calculation of local mechanical properties of filled polymers

Journal Article · Thu Mar 15 00:00:00 EDT 2007 · Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics

DOI:https://doi.org/10.1103/PHYSREVE.75.031803· OSTI ID:21072397

Papakonstantopoulos, George J; Doxastakis, Manolis; Nealey, Paul F; Pablo, Juan J. de ^[1]; Barrat, Jean-Louis ^[2]

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1. Department of Chemical and Biological Engineering, University of Wisconsin, Madison, Wisconsin 53706-1691 (United States)
2. Universite de Lyon, Universite Lyon I, Laboratoire de Physique de la Matiere Condensee et des Nanostructures, CNRS, UMR 5586, 69622 Villeurbanne (France)

A study is presented on the effects of smooth nanoparticles on the structure and elastic moduli of a polymer matrix. Structural changes between the unfilled polymer matrix and the nanocomposite give rise to the formation of a glassy layer that surrounds the nanoparticles. Results for the effects of particle size and concentration on the local and overall mechanical properties of the polymer are consistent with experimental macroscopic observations. At the molecular level, it is found that dispersed, attractive nanoparticles alter the nonaffine displacement fields that arise in the polymer glass upon deformation, thereby rendering the nanocomposite glass less fragile.

• OSTI ID: 21072397
• Journal Information: Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 75, Issue 3; Other Information: DOI: 10.1103/PhysRevE.75.031803; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-651X
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
COMPOSITE MATERIALS
DEFORMATION
ELASTICITY
GLASS
LAYERS
NANOSTRUCTURES
PARTICLE SIZE
PARTICLES
POLYMERS
YOUNG MODULUS