Data for: Molecular Dynamics Predictions of Thermomechanical Properties of an Epoxy Thermosetting Polymer

Published: 20 April 2020| Version 1 | DOI: 10.17632/wmsbdm9bh7.1
Contributor:
Ellad Tadmor

Description

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.

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Molecular Mechanics with Molecular Dynamics, Epoxy

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