On Thursday, April 24th, Dr. Virginie Rollin presented a poster at the Materials Research Society Spring Meeting in San Francisco, CA. The poster was titled “Molecular Dynamics Simulation of a Pullout Test on a Carbon Nanotube in a Polymer Matrix”, and presented the work of her graduate student Guttormur Arnar Ingvason (MSAE 2013), first author on the poster. A proceeding paper was also submitted for publication at the conference and is currently under review.
The poster presents how the molecular dynamics (MD) simulations were implemented in the open-source MD code LAMMPS. Guttormur worked on implementing a potential (the equations that describe how atoms interact) that would work for both our polymer molecules and the carbon nanotube. His results were promising, but more work was required. The poster generated a lot of interest from scientists within the US and abroad.