Experimental and numerical investigation of fracture mechanics of bitumen beams

This work presents an experimental and numerical investigation to characterise the fracture properties of pure bitumen (the binder in asphalt paving materials). The paper is divided into two parts. The first part describes an experimental study of fracture characterisation parameters of pure bitumen as determined by three-point bend tests. The second part deals with modelling of fracture and failure of bitumen by Finite Element analysis. Fracture mechanics parameters, stress intensity factor, KIC, fracture energy, GIC, and J-integral, JIC, are used for evaluation of bitumen's fracture properties. The material constitutive model developed by Ossa et al. [40,41] which was implemented into a FE code by Costanzi [18] is combined with cohesive zone models (CZM) to simulate the fracture behaviour of pure bitumen. Experimental and numerical results are presented in the form of failure mechanism maps where ductile, brittle and brittle-ductile transition regimes of fracture behaviour are classified. The FE predictions of fracture behaviour match well with experimental results. © 2012 Elsevier Ltd.

Gaussian Approximation Potential: an interatomic potential derived from first principles Quantum Mechanics

Simulation of materials at the atomistic level is an important tool in studying microscopic structure and processes. The atomic interactions necessary for the simulation are correctly described by Quantum Mechanics. However, the computational resources required to solve the quantum mechanical equations limits the use of Quantum Mechanics at most to a few hundreds of atoms and only to a small fraction of the available configurational space. This thesis presents the results of my research on the development of a new interatomic potential generation scheme, which we refer to as Gaussian Approximation Potentials. In our framework, the quantum mechanical potential energy surface is interpolated between a set of predetermined values at different points in atomic configurational space by a non-linear, non-parametric regression method, the Gaussian Process. To perform the fitting, we represent the atomic environments by the bispectrum, which is invariant to permutations of the atoms in the neighbourhood and to global rotations. The result is a general scheme, that allows one to generate interatomic potentials based on arbitrary quantum mechanical data. We built a series of Gaussian Approximation Potentials using data obtained from Density Functional Theory and tested the capabilities of the method. We showed that our models reproduce the quantum mechanical potential energy surface remarkably well for the group IV semiconductors, iron and gallium nitride. Our potentials, while maintaining quantum mechanical accuracy, are several orders of magnitude faster than Quantum Mechanical methods.

Travel behaviour applied in freight transportation using intelligent products

The route planning problem for an order in freight transportation involves the selection of the best route for its transportation given a set of options that the network can offer. In its adaptive (or dynamic) version, the problem deals with the planning of a new route for an order while it is actually in transit typically because part or all of its pre-selected route is blocked or disrupted. In the intelligent product approach we are proposing, an order would be capable of identifying and evaluating such new routes in an automated manner and choosing the most preferable one without the intervention of humans. Because such approaches seek to mirror (and then automate) human decision making, in this paper we seek to identify new ways for dynamic route planning in industrial logistics inspired by the way people make similar decisions about their journey when they travel in multi-modal networks. We propose a new simulation game as a methodological tool for capturing their travel behaviour and we use it in this study. The results show that a simulation game can be used for capturing strategies and tactics of travellers and that intelligent products can provide a proper platform for the usage of such strategies in freight logistics. © 2012 IEEE.

Sensitivity analysis of a time-delayed thermo-acoustic system via an adjoint-based approach

We apply adjoint-based sensitivity analysis to a time-delayed thermo-acoustic system: a Rijke tube containing a hot wire. We calculate how the growth rate and frequency of small oscillations about a base state are affected either by a generic passive control element in the system (the structural sensitivity analysis) or by a generic change to its base state (the base-state sensitivity analysis). We illustrate the structural sensitivity by calculating the effect of a second hot wire with a small heat-release parameter. In a single calculation, this shows how the second hot wire changes the growth rate and frequency of the small oscillations, as a function of its position in the tube. We then examine the components of the structural sensitivity in order to determine the passive control mechanism that has the strongest influence on the growth rate. We find that a force applied to the acoustic momentum equation in the opposite direction to the instantaneous velocity is the most stabilizing feedback mechanism. We also find that its effect is maximized when it is placed at the downstream end of the tube. This feedback mechanism could be supplied, for example, by an adiabatic mesh. We illustrate the base-state sensitivity by calculating the effects of small variations in the damping factor, the heat-release time-delay coefficient, the heat-release parameter, and the hot-wire location. The successful application of sensitivity analysis to thermo-acoustics opens up new possibilities for the passive control of thermo-acoustic oscillations by providing gradient information that can be combined with constrained optimization algorithms in order to reduce linear growth rates. © Cambridge University Press 2013.