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Atomistic Simulations of the Mechanical Response of Copper/Polybutadiene Joints under Stress

Published online by Cambridge University Press:  31 January 2011

Fidel Orlando Valega Mackenzie  and
Barend J. Thijsse
Fidel Orlando Valega Mackenzie
Affiliation:
f.o.valegamackenzie@tudelft.nl, Delft University of Technology, Materials Science and Engineering, Delft, Netherlands
Barend J. Thijsse
Affiliation:
b.j.thijsse@tudelft.nl, Delft University of Technology, Materials Science and Engineering, Delft, Zuid Holland, Netherlands
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Abstract

Metal/polymer system joints are widely encountered nowadays in microscopic structures such as displays and microchips. In several critical cases they undergo thermal and mechanical loading, with contact failure due to fracture as a possible consequence. Because of their variety in nature and composition metal/polymer joints have become major challenges for experimental, theoretical, and numerical studies. Here we report on results of molecular dynamics simulations carried out to study the mechanical response of a metal/polymer joint, in this case the Cu/polybutadiene model system. The behavior of Cu and the cross-linked polybutadiene are modeled, respectively, by the Embedded Atom Method (EAM) and the Universal Force Field (UFF). Loading is applied under compression. Different potentials are used to describe the interactions in the metal/polymer interface, which allows us to qualitatively analyze possible mechanisms of failure in these joints, below the metal melting point and above the polymer glass transition temperatures.

Keywords

polymermetalsimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1224: Symposia FF/GG – Mechanical Behavior at Small Scales — Experiments and Modeling , 2009 , 1224-FF10-09
Copyright
Copyright © Materials Research Society 2010

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