Materials science aims to explore the properties and behaviors of different materials, from metals to advanced carbon structures. This dissertation focuses on three distinct areas of study: Inconel Alloy 740H, polycrystalline graphene, and tetragraphene (TG).
The first part of this work concentrates on developing and validating a Chaboche unified constitutive model. This model incorporates both nonlinear isotropic and kinematic hardening rules to accurately predict the stress-strain behavior of Inconel Alloy 740H, a high-temperature nickel-based superalloy. The material parameters of the model are determined and its accuracy validated through experimental data obtained from uniaxial strain-controlled loading tests across a wide temperature and strain ranges.
The second part explores the mechanical properties of polycrystalline graphene, bridging scales from nanoscale to macroscale through a multiscale molecular dynamics (MD)–finite element (FE) modeling approach. By studying the behavior of graphene sheets with different grain boundaries and atomic structures, insights are gained into the influence of grain size on mechanical properties like the Young modulus and fracture stress.
The third part of this dissertation investigates the mechanical properties of tetragraphene (TG), a quasi-2D semiconductor carbon allotrope, with a focus on addressing graphene's limitations in electronic applications. Through MD simulations, the research examines TG's fracture properties under mixed mode I and II loading, considering variables such as loading phase angle, crack structure, and temperature.