I’m thrilled to announce that my latest research article, “Genetic Algorithm Optimization of Langevin Thermostat and Thermal Properties of Graphene-Aluminum Nanocomposites: A Molecular Dynamics”, has been published in the Modelling and Simulation in Materials Science and Engineering journal! 🎉

In this work, I explored the thermal properties of graphene-coated aluminum composite nanomaterials using non-equilibrium molecular dynamics (NEMD) simulations. The study addresses a critical issue of temperature deviation within the thermostat volume. Using a genetic algorithm (GA) optimization method, I identified optimal timestep and Langevin thermostat damping parameters for nanomaterials with various size configurations. The optimized parameters led to significant improvements in temperature control, and the study also showed that thermal conductivity decreases with increasing temperature but increases by 9.85% with larger thermostat length.

This research has potential implications for better control of thermal properties in advanced nanomaterial designs.
Check out the full article here: Link to the paper