Modeling mechanical properties of an epoxy using particle dynamics, as parameterized through molecular modeling

The current paper successively applies molecular modeling and mesoscale modeling to scale mechanical models from an atomistic angstrom level to a sub-micron level and determine modulus, stress/strain behavior and defect formation in an epoxy and epoxy–copper interface. The results will show that molecular modeling may be applied directly to parameterize the bead properties used in the mesoscale model, which scale to the physical properties so could provide a means to understand interface behavior linked directly back to molecular origins.