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Project TitleTuning magnetic composite properties with conductive polymers
SummaryThere is potential for customizing the magnetic and electrical properties of magnetic shape memory alloys by creating composites with conductive and semiconductive polymers. This project will use molecular simulations in collaboration with density functional theory calculations and experiments to understand how polymers aggregate on alloy surfaces and change their magnetic properties.
Job DescriptionThe student researcher will investigate polymer self-assembly on metal alloy surfaces, testing existing force fields to quantify how thermodynamically stable structure depends on the choice of model. This work will be performed using molecular dynamics simulations leveraging HOOMD-Blue on NVIDIA graphics processors. Simulations runs and subsequent analysis is performed with python scripts, and coding in C++ and CUDA will be used to test and optimize new interaction potentials. This work will be performed in close collaboration with the Mullner (experimental) and Li (density functional theory) groups at Boise State University.
Use of Blue WatersThis project will use HOOMD-Blue on the Blue Waters XK nodes. Typical simulation jobs will require 10-24 hours of a single GPU, and in the rare case of very large simulations (1,000,000+ atoms) use MPI and multiple nodes to distribute computational cost.
Start Date05/15/2017
End Date05/15/2018
LocationBoise, Idaho, Jankowski Lab, Micron School of Materials Science and Engineering, Boise State University
Jaime Guevara