Failure Mechanisms and Damage Modelling for Advanced Materials

A computational framework for microstructural modelling of polycrystalline materials with damage and failure

In the present thesis, a computational framework for the analysis of the deformation and damage phenomena occurring at the micro-scale of polycrystalline materials is presented. Micro-mechanics studies are commonly performed using the Finite Element Method (FEM) for its versatility and robustness. However, finite element formulations usually lead to an extremely high number of degrees of freedo...

Mechanics and mechanisms of fatigue damage and crack growth in advanced materials

The mechanisms of fatigue-crack propagation in ceramics and intermetallics are examined through a comparison of cyclic crack-growth behavior in ductile and brittle materials. Crack growth is considered to be a mutual competition between intrinsic mechanisms of crack advance ahead of the crack tip, which promote crack growth, and extrinsic mechanisms of crack-tip shielding behind the tip, which ...

Modelling Damage Growth and Failure in Elastic Materials with Random Defect Distributions

Failure in materials under cyclic loading occurs by the growth and propagation of cracks. If they are sufficiently numerous, the cracks can be considered to be continuously distributed in the material. In this paper, a mathematical model is proposed to predict failure in materials with defects in the form of randomly distributed pores. The model includes anisotropic damage accumulation, the eff...

Multiscale failure modelling of quasi - brittle materials

Advanced capabilities for materials modelling with Quantum ESPRESSO.

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the ...