Data for: Molecular Dynamics Predictions of Thermomechanical Properties of an Epoxy Thermosetting Polymer
2020-04-21T06:45:07Z (GMT) by
DGEBA/Jeffamine D230 epoxy configurations at conversion levels ranging from 0 to 80% for molecular dynamics (MD) simulations. Three different configurations are provided at each conversion level obtained using a multistep MD algorithm with different initial conditions (see details in the article). Configurations are in LAMMPS data format.