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 87 for “"Structure property relationship"”.
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Surface Structure/Property Relationship for (001) Surface of Magnetite
… It is discovered that the Fe3O4 (001) surface structure and properties are dependent on the surface preparation methods. Conventional processed surfaces in an oxygen-rich environment are found to be oxygen deficient, with a significant amount of ordered oxygen vacancies on the surface and even …
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Understanding the Structure-Property Relationship in Diketopyrrolopyrroles for Organic Electronics
The effects of chain length, encapsulation and asymmetry of conjugated DPP-based polymers and small molecules were investigated. The first part of this thesis explored how chain length can affect the optical properties of conjugated DPP-based materials. Previously in our group, a series of …
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Process-Structure-Property Relationship Study of Selective Laser Melting using Molecular Dynamics
… highly influence the part quality, microstructure, and mechanical properties. The process-structure-property relationship of the SLM process is not well-understood. In the process-structure study, a quasi-2D model of Micro-Selective Laser Melting process using molecular dynamics is …
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Structure-Property Relationship Investigations of Higher and Lower Valent Modified Lead Zirconate Titanate Ceramics
The studies on the dynamic behaviors of higher valent modified PZT revealed the presence of strong nonlinearities and induced relaxor characteristics under moderate AC drive for lower La-content compositions. TEM investigations demonstrated a breakdown of ferroelectric domains with increasing AC …
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Synthesis, characterisation, structure-activity and structure-property relationship studies of quinazolinones as antimycobacterial agents
Mycobacterium tuberculosis (Mtb) is the pathogen responsible for Tuberculosis (TB), one of the most prolific killers among communicable diseases, second only to HIV/AIDS. The World Health Organisation (WHO) estimated 10.4 million people contracted TB in 2015, with 1.4 million fatalities recorded in …
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Structure-Property Relationship of the Two-Photon Circular Dichroism of Compounds with Axial and Helical Chirality
… embarked in expanding the understanding of the structure-property relationship of TPCD by performing, systematically, a series of theoretical-experimental studies in chiral biaryl derivatives and compounds with helical chirality. In Chapter 2 we present the theoretical-experimental study of the …
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Utilizing viruses to probe the material process - structure - property relationship : controlling catalytic properties via protein engineering and nanoscale synthesis
… of a non-petrochemical based energy infrastructure, catalysts play an important role in meeting the increasing energy and consumable demands of today without compromising the global health of tomorrow. Development of these catalysts relies on the fundamental understanding of the effects …
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A numerical and experimental investigation of the effects of thermal history on the structure/property relationship of PPS/carbon fiber composites
The purpose of this investigation was to examine the effects of thermal history during cooling from the melt on the degree of crystallinity, morphology, and mechanical properties of (polyphenylenesulfide) PPS/carbon fiber composites. Three thermal treatments were employed in this study: isothermal …
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An experimental study on the structure-property relationship of composite fluid electrodes for use in high energy density semi-solid flow cells
… energy storage. This thesis explores the microstructure of these fluid composites and establishes links to macroscopic properties that determine the device's energy and power density, efficiency, and cycle life. The rapid agglomeration of colloidal carbon black aggregates leads to gelation by …
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Application Of Scanning Hall Probe Microscopy For High Throughput Characterization Of Combinatorial Magnetic Materials
… Ni. The composition variations and crystal phase structure over the scan regions were measured independently using Energy Dispersive X-ray Spectroscopy (EDS) and Electron Backscatter Diffraction (EBSD). Using this technique, the composition-structure-property relationship for the Co-Fe-Ni …
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Synthesis and application of ionic molecular and polymeric materials
… areas: Chapters 2-3 focus on the development of structure-property relationship of network-forming ionic glasses and liquids; Chapter 4 focus on the application of network-forming ionic liquids for the cause of shockwave absorption; Chapter 5 extends the exploration into the realm of polymeric …
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QUINODIMETHANES - AN EFFECTIVE STABILIZATION STRATEGY FOR POLYCYCLIC AROMATIC HYDROCARBONS
… to paint a complete picture of the intricate structure-diradical character-physical property relationship of these interesting quinoidal compounds. This would greatly aid in the future tailor-design and synthesis of functional PH based materials. In this thesis, we focused on the ground state …
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Reconfiguring the side-chain functionality of cationic helical polypeptides toward maximized gene delivery capabilities
… is largely dependent on the understanding of the structure-property relationship. This thesis aims to report the design of a new series of cationic, α-helical polypeptides with different side charged groups (amine and guanidine) and hydrophobicity, and to mechanistically unravel the effect of …
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Ruthenium alkynyl-terminated ladder-type oligo(p-phenylene)s
… have been synthesized and characterized. The structure-property relationship of these complexes has been studied.
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Ruthenium alkynyl-terminated ladder-type oligo(p-phenylene)s
… have been synthesized and characterized. The structure-property relationship of these complexes has been studied.
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Microstructural Evolution in Mocvd-Derived Tantalum-Doped Tin Dioxide Thin Films and Subsequent Property Changes
… main focus of this study was to understand the structure-property relationship in the Ta-Sn-O material system. Microstructure of the films was characterized through x-ray diffraction (XRD), secondary ion mass spectroscopy (SIMS), scanning electron microscopy (SEM), transmission electron …
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Development of Multivariate Powder X-ray Diffraction Techniques and Total Scattering Analyses to Enable Informatic Calibration of Solid Dispersion Potential
… descriptors, commonly employed in quantitative structure-property relationship assessment, were tested for correlation to dispersion potential across a library of small molecule organic compounds. The final model accurately predicted dispersion potential for all 12 calibration compounds and …
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Computational Studies of PbS Quantum Dots
… We seek to use DFT simulations to understand the structure-property relationship of PbS QDs. To aid in the computational efforts, we first developed a Python library to automate DFT calculations and facilitate analysis, a framework based on nested directed graphs to manage and schedule concurrent …
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Synthesis and properties of transition-metal arsenide nanostructures: from superparamagnetism to superconductivity
… on developing new protocols for synthesis of nanostructured transition-metal pnictides including superconducting LiFeAs and studying their structure- property relationship. Nanostructured materials are known to differ in properties compared to their bulk counterparts owing to enhanced surface area …
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