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Investigation of Coarse-Grained Mesoscale Molecular Models for Mechanical Properties Simulation, as Parameterized Through Molecular Modeling

Chapter

Abstract

The current paper applies both molecular modeling and mesoscale modeling to determine modulus and defect formation in epoxy and epoxy-copper interfaces. The results will show that molecular modeling may be applied directly to parameterize the bead properties used in the mesoscale model, which scales to the physical properties. By parameterizing the mesoscale bead based upon repeat units, it was shown that scaling can be achieved in a larger step than parameterization based upon the typical functional group bead.

Keywords

Void Growth Mesoscale Model Discrete Element Modeling Cohesive Model Cohesive Interface 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgments

Software is provided by Accelrys, Inc. (San Diego, CA) funded from the Seventh Framework Program for Research and Technological Development (FP7) of the European Union (NMP3-SL-20080214371) in the Nanosciences, Nanotechnologies, Materials and New Production Technologies Program.

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Copyright information

© Springer Science+Business Media, LLC 2012

Authors and Affiliations

  1. 1.Honeywell Specialty MaterialsSunnyvaleUSA

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