Engineering Commons^™

Thermal And Mechanical Properties Of Polymers Using Molecular Dynamics, Daniel Glass, Alejandro Strachan, Lorena Alzate-Vargas, Chunyu Li, Benjamin Haley

The Summer Undergraduate Research Fellowship (SURF) Symposium

Polymer systems have gained attention during the past years because of their technological and industrial applications. Simulations, particularly molecular dynamics, are very useful for exploring properties of amorphous polymers, without using experiments. Our goal is to create a readily-available tool that will perform MD simulations in order to get thermal and mechanical properties (Glass transition temperature, Young Modulus) of the polymers. The work that has been done will be part of a tool to help people to learn about polymer properties including Glass Transition Temperature. We model some polymers at a scale of 10,000 atoms. The tool uses LAMMPS to …