Molecular modeling of 2D graphene grain boundaries: Mechanical and fracture aspects
Aditya Kataria, Akarsh Verma, M.R. Sanjay, Suchart Siengchin
Topics & Concepts
GrapheneGrain boundaryMolecular dynamicsMaterials scienceCrystalliteThermal conductivityNanotechnologyDensity functional theoryNanomaterialsFabricationFracture (geology)ThermalMechanical strengthQuantumChemical physicsComposite materialComputational chemistryChemistryPhysicsThermodynamicsMicrostructureMetallurgyQuantum mechanicsMedicinePathologyAlternative medicineGraphene research and applicationsBoron and Carbon Nanomaterials ResearchThermal properties of materials