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 20 of 128 for “"Materials design"”.
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Data-driven materials design
… performance technology, the need for superior materials and accelerated manufacturing processes has never been greater. The production of better solar power generation will require new photovoltaic materials. Advanced devices and sensors will require new electronic materials. And in a …
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Systems Materials Design of Ordered Nanocomposite Assemblies
… length scales is a central challenge in modern materials science. In this dissertation, I develop a systems materials design approach to engineer hierarchically structured nanocomposite assemblies, integrating molecular recognition, supramolecular chemistry, colloidal assembly, and bulk …
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Multiscale materials design of natural exoskeletons : fish armor
Biological materials have developed hierarchical and heterogeneous material nanostructures and microstructures to provide protection against various environmental threats that, in turn, provide bioinspired clues to man-made, protective material designs. In particular, designs of dermal fish armor …
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Machine Learning-Augmented Spectroscopies for Intelligent Materials Design
… characterization techniques used to interrogate materials’ structural and dynamical properties at atomic to mesoscopic length scales. As advances at scientific user facilities enable the collection of ever larger data volumes in higher-dimensional parameter spaces, the design, analysis, and …
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Role of materials & design on performance of baseball bats
… the material properties of various baseball bats designs were examined. From this review it is evident that player and spectator safety greatly rely on proper baseball bat design. There was a 30% reduction in the Multi-Piece Failures (MPF) of wooden bats once the requirement of a Slope of Grain …
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Quantum Monte Carlo for accurate energies and materials design
… is a severe problem, if QMC would be used in materials discovery. In Chapter 4, we show our automated calculation strategy for formation energy of periodic materials using QMC. We show that our method performs almost by an order of a magnitude more accurate, compared to high throughput DFT …
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Machine Learning Enabled Inorganic Synthesis Planning and Materials Design
The discovery and design of materials is essential for addressing important societal problems in areas such as energy, biomedicine, and computing technology. Data-driven synthesis planning with machine learning is a key step in the design of novel inorganic compounds with desirable properties. …
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AI for materials design: Generative AI with multi-fidelity strategies
The design of new molecules and materials is often hindered by the vastness of chemical and microstructural design spaces and the high cost of obtaining high-fidelity property labels through quantum or physics-based simulations. This dissertation introduces a unified framework that combines …
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Materials design and discovery of catalysts for small molecule conversion
… hindered by a lack of guiding principles for materials selection and design, especially for increasingly complex materials systems such as oxides. This has stemmed from a lack of systematic studies of surface reactivity at thermodynamic conditions relevant to the reaction of interest and …
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Advancing computational materials design and model development using data-driven approaches
… affecting the development of the novel hybrid materials. A certain application demanding the need for a desired function can be cherished through the hybrids with a blend of new properties by a combination of pure materials. However, to run MD simulations, an accurate representation of the …
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Enabling Soft Mechanosensing via Vat Photopolymerization 3D Printing: Materials, Design and Integration
L'abstract è presente nell'allegato / the abstract is in the attachment
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Fundamental understanding and materials design approaches for lithium-oxygen electrochemical energy storage
New strategies and materials are needed to increase the energy and power capabilities of lithium storage devices for electric vehicle and grid-scale applications. Systems based on oxygen electrochemistry are promising due to the relatively high potentials (~ 3 V vs. Li) of Li-oxygen redox couples, …
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Computational tools for materials design: applications in dynamic covalent chemistry, polymers, and electrochemical systems
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2024-05-01
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Biological and bio-inspired morphometry as a route to tunable and enhanced materials design
Structural materials in nature integrate classical materials selection rules with morphometry (geometry or shape-based rules) to create high-performance, multi-functional structures that exhibit tunable properties through extraordinary complexity, hierarchy, and precise structural control. This …
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Materials Design for Advanced Nuclear Energy Systems: Refractory High Entropy Alloys and Metallic Multilayer Composites
Advanced nuclear reactors present a multitude of materials challenges due to high op- erating temperatures, corrosive environments, and neutron radiation damage. In this thesis, I focus on two approaches to designing better materials for advanced reactors, high entropy alloys (HEAs) and metallic …
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Mechanical properties of gels formed by nickel and cobalt complexation with histamine-grafted polyisoprene and polystyrene in non-aqueous solvents
Leveraging metal-coordination crosslinks for materials design of polymers can enable fine-tuning of the mechanical properties of rubbers without requiring the use of sophisticated vulcanization pathways. In this work, we synthesized several polyisoprene-graft-histamine gels in toluene, coordinated …
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Linking Vocational Education to the World of Employment: the Case of Business English in Greece
… textbook was conducted and the impact of newly designed ESP material on learners was examined through pre-post-tests. The findings of the businesses survey revealed the need for more emphasis on speaking and listening skills than writing or reading. The evaluation of the target textbook …
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Development and validation of a computational approach to predicting the synthesis of inorganic materials
The concept of computational materials design envisions the identification of chemistries and structures with desirable properties through first-principles calculations, and the downselection of these candidates to those experimentally accessible using available synthesis methods. While …
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Techniques in support vector classification
… map. We apply our method to a problem in materials design. Our second problem concerns the selection of the kernel k : Rn x Rn → R in (*). For kernel selection we use a kernel version of the classical Gram-Schmidt orthonormalization procedure again coupled with Fisher's discriminant. We …
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Tunable organization of cellulose nanocrystals for controlled thermal and optical response
… opportunities for cost-effective, sustainable materials design. By taking advantage of their distinctive structural properties and self-assembly, promising applications have started to nurture the fields of flexible electronics, biomaterials, and nanocomposites. CNCs exhibit two fundamental …
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