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A Computational Investigation Of The Interstitial Oxidation Thermodynamics Of A Mo-Nb-Ta-W High Entropy Alloy Beyond The Dilute Regime, Adib J. Samin
A Computational Investigation Of The Interstitial Oxidation Thermodynamics Of A Mo-Nb-Ta-W High Entropy Alloy Beyond The Dilute Regime, Adib J. Samin
Faculty Publications
High entropy alloys (HEAs) are promising candidates for high-temperature structural material applications. Oxidation is a major factor that must be accounted for when designing such materials and it is thus important to study the oxidation behavior of HEAs to enable the optimum design of next generation materials. In this study, the thermodynamic behavior of interstitial oxygen in a Mo-Nb-Ta-W high entropy alloy was explored beyond the dilute limit. This was accomplished by sampling configurations of the HEA and HEA-oxygen systems from an isothermal–isobaric ensemble using a series of first-principle-based Monte Carlo simulations. It was found that the interstitial oxygen had …
Characterization And Electrochemical Performance Of Dopamine-Sensitized Titania Thin Films, Joshua Garay
Characterization And Electrochemical Performance Of Dopamine-Sensitized Titania Thin Films, Joshua Garay
Theses and Dissertations--Chemical and Materials Engineering
Sensitization of mesoporous titania films with dopamine and polydopamine for visible light photoelectrochemical activity is investigated. Sensitization effectiveness is compared with 8 mM dopamine solutions of varying pH (acidic, basic, and neutral), as well as with a basic polydopamine solution. Vibrational changes due to dopamine attachment are determined from detached powders by Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) is used to quantify organics attached. X-ray photoelectron spectroscopy (XPS) of intact films probes the chemically induced charge shift from dopamine attachment. Cyclic voltammetry identifies the irreversible dopamine oxidation and tin reduction voltages. Finally, chronoamperometric curves are used to compare …