Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 8 of 8 for “"materials modelling"”.
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Engineering of Microbial Fuel Cells technology: Materials, Modelling and Architecture
… of microorganisms. Firstly, a fluid-dynamic modelling of different Microbial Fuel Cell configurations to study trajectories and concentration profile of the liquid containing the organic substrate during operation of the device was developed. The study of the device was joined with the study …
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Mesoscopic Distinct Element Method for Multiscale Modeling of Carbon Nanotubes
… material platform for developing composite materials with mechanical attributes approaching those of individual CNTs. In this quest, the guidance power of computational materials modelling is critical. Ideally one would like to investigate CNT assembles with all atom simulation methods, but …
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Data-driven models of water and methane
In the field of materials modelling, traditional atomistic models seldom achieve high accuracy and speed at the same time. Recent developments using high-dimensional fits to approximate the quantum chemical potential energy surface (PES) have overcome this problem. This thesis presents such models …
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Enhancing the Sustainability of Aluminium Production and Products
… with a particular focus on through-process modelling, to examine the mechanisms by which tramp elements affect aluminium alloys. It aims to refine existing models and develop novel processing strategies to mitigate the effects of tramp elements. In the initial sections, the thesis outlines …
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Enhancing the mechanical and chemical integrity of Ag/ZnO-based transparent and conductive thin film coatings: an atomistic modelling study
The commercialisation of ZnO/Ag/ZnO based flexible TCEs (transparent conductive electrodes) is still hindered by the adhesion between Ag and ZnO that results in a weak Ag/ZnO interface. This weakness is further reflected by the observed dewetting of Ag on ZnO. Optical coatings containing these …
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Accelerating vibrational free energy calculations for anharmonic crystals
This thesis presents a study of vibrational modelling of periodic solids, focussing in particular on vibrational self-consistent field theory (VSCF). Firstly, the mathematical framework within which vibrational modelling takes place is detailed. The approximations which must be made are introduced, …
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Materials, methods and concepts for 21st century solar cells
… solar panels, semiconductors and thesis relevant materials while main experimental and theoretical tools used are introduced in Chapter 3. Spectroscopic measurements are used to better understand recombination and passivation in halide perovskites in Chapters 4 and 5. Specifically, low-bandgap …
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Cleaning viscoplastic soil layers from flat surfaces using impinging water jets
… In this work, different insoluble viscoplastic materials such as petroleum jellies and a white soft paraffin were cleaned by impinging water jets. The rheological investigation of the soil layers indicated that these materials show time-dependent yield stress behaviour. A method to measure the …