Modeling the degradation of polypropylene and polystyrene under shock compression and mechanical cleaving using the ReaxFF force field
Tomasz Pańczyk, Krzysztof Nieszporek, Paweł Wolski
Topics & Concepts
ReaxFFPolypropyleneMolecular dynamicsBreakagePolystyrenePolymerForce field (fiction)Materials scienceComposite materialChemical engineeringChemistryPolymer chemistryComputational chemistryComputer scienceInteratomic potentialEngineeringArtificial intelligencePolymer crystallization and propertiesMicroplastics and Plastic PollutionEnergetic Materials and Combustion