Molecular Dynamics Simulation Data for Prediction of Mechanical Properties of Epoxy with Graphene Quantum Dots
Published: 25 November 2025| Version 2 | DOI: 10.17632/n8fnmb89jr.2
Contributors:
Swapnil Sambhaji Bamane, Description
This data inlcudes the MD modeling and simulation data for enhancing the mechanical properties of epoxy with graphene quantum dots. MD simulations are performed with the LAMMPS software. Fixed-bond class-2 forcefield called IFF was utilized for MD simulations. Tensile test results of MD simulations are analyzed using LUNAR developed by Josh Kemppainen at CMMR Lab, Michigan Technological University.
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Institutions
- University of North Carolina at Charlotte
Categories
Polymer, Molecular Dynamics, Epoxy, Graphene Quantum Dot