Date of Award
Master of Science in Mechanical Engineering (MSME)
Committee Member 1
Committee Member 2
Graphene combined with Boron Nitride is a superlattice that has a lot of potential in terms of tenability. There has been a lot of work that has gone into finding ways to tune the properties of this superlattice to improve its figure of merit. Interfacial roughness if strategically induced is thought to have the potential to increase the thermal conductivity without sacrificing any of the qualities of the superlattice. We perform equilibrium molecular dynamics via Green Kubo method on Graphene/Boron Nitride and study its thermal conductivity under the influence of various parameters that shape the superlattice and its properties. Green Kubo method involves generating the lattice structure and using a pair potential along with boundary conditions to implement equilibrium molecular dynamics. The simulation give us a heat current auto-correlation function (HCACF) which can be used to find the thermal conductivity of the system.
Gouthaman, Vignesh, "UNUSUAL THERMAL TRANSPORT IN GRAPHENE / BORON NITRIDE SINGLE INTERFACE & SUPERLATTICE TUNED BY INTERFACIAL ROUGHNESS" (2015). Open Access Theses. 1109.