We developed a multiscale approach to explore the effective thermal conductivity of polycrystalline graphene sheets. By performing equilibrium molecular dynamics (EMD) simulations, the grain size effect on the thermal conductivity of ultra-fine grained polycrystalline graphene sheets is investigated. Our results reveal that the ultra-fine grained graphene structures have thermal conductivity on...

We conducted extensive molecular dynamics simulations to investigate the thermal conductivity of polycrystalline hexagonal boron-nitride (h-BN) films. To this aim, we constructed large atomistic models of polycrystalline h-BN sheets with random and uniform grain configuration. By performing equilibrium molecular dynamics (EMD) simulations, we investigated the influence of the average grain size...

In this paper, polycrystalline pure zinc oxide nano structured thin films were deposited on two kinds of single crystal and polycrystalline of p and n type Si in three different substrate temperatures of 300, 400 and 500◦C by low cost APCVD method. Structural, electrical and optical properties of these thin films were characterized by X ray diffraction, two point probe method and UV visible spe...

We have demonstrated significant evidence of a solvent-dependent synthesis of hierarchical Cu7S4 polycrystalline nanocage assemblies with controllable aggregation-based building blocks by a sacrificial Cu2O template approach. The formation of a hierarchical Cu7S4 polycrystalline nanocage is essentially determined by a Kirkendall effect, which is attributed to the tailored-aggregation behaviour ...

Understanding the grain size-dependent failure behavior of polycrystalline graphene is important for its applications both structurally and functionally. Here we perform molecular dynamics simulations to study the failure behavior of polycrystalline graphene by varying both grain size and distribution. We show that polycrystalline graphene fails in a brittle mode and grain boundary junctions se...

Title of Document: FRACTURE BEHAVIOR AND THERMAL CONDUCTIVITY OF POLYCRYSTALLINE GRAPHENE Andrew Fox, Doctor of Philosophy, 2014 Directed By: Associate Professor Teng Li, Department of Mechanical Engineering This dissertation investigates the effect of grain boundaries (GBs) in polycrystalline graphene on the tensile fracture behavior and thermal conductivity of the graphene sheets. Current tec...

Crumpled graphene has been emerging as a valuable component for a variety of devices such as supercapacitors or hydrophobic surface coatings due to its geometric change from a 2D to a 3D structure accompanied by changes in its material behavior. As polycrystalline graphene is easier to produce than pristine graphene, certain applications of crumpled graphene may be better suited to polycrystall...