Accurate predictions of thermoset resin glass transition temperatures from all-atom molecular dynamics simulation
Gregory M. Odegard, Sagar Patil, Prashik S. Gaikwad, Prathamesh Deshpande, Aaron S. Krieg, Sagar Shah, Aspen N. Reyes, Tarik Dickens, Julia A. King, Marianna Maiarù
Abstract
values, given the typical scatter observed in MD predictions of amorphous polymer properties.
Topics & Concepts
Thermosetting polymerGlass transitionMolecular dynamicsMaterials scienceAmorphous solidThermodynamicsThermalModulusThermal expansionAtom (system on chip)PolymerComposite materialChemistryComputational chemistryComputer sciencePhysicsOrganic chemistryEmbedded systemEpoxy Resin Curing ProcessesPolymer crystallization and propertiesComposite Material Mechanics