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Full-Text Articles in Engineering
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 …
A Novel Method For Making Titanium Dioxide For Photocatalytic Applications, Gary Wilson
A Novel Method For Making Titanium Dioxide For Photocatalytic Applications, Gary Wilson
Graduate Theses & Non-Theses
Titanium dioxide possesses near-ideal properties for large-scale application as a photocatalyst. It is cheap and abundant, nontoxic, and environmentally safe. However, it still suffers from logistical problems preventing its application in industry: namely, rapid electron-hole recombination and inability to utilize visible light. For nearly five decades researchers in this booming field have made numerous attempts to address these problems, doping and combining titanium dioxide with a wide range of materials. A novel ambient-temperature approach to synthesis and doping/modification of anatase-form titanium dioxide was attempted using both oxygen-rich and oxygen deprived synthetic routes. Reactants were exposed to various wavelengths of ultraviolet …
Carbon Oxidation At The Atomic Level: A Computational Study On Oxidative Graphene Etching And Pitting Of Graphitic Carbon Surfaces, Simon Schmitt
Carbon Oxidation At The Atomic Level: A Computational Study On Oxidative Graphene Etching And Pitting Of Graphitic Carbon Surfaces, Simon Schmitt
Theses and Dissertations--Mechanical Engineering
In order to understand the oxidation of solid carbon materials by oxygen-containing gases, carbon oxidation has to be studied on the atomic level where the surface reactions occur. Graphene and graphite are etched by oxygen to form characteristic pits that are scattered across the material surface, and pitting in turn leads to microstructural changes that determine the macroscopic oxidation behavior. While this is a well-documented phenomenon, it is heretofore poorly understood due to the notorious difficulty of experiments and a lack of comprehensive computational studies. The main objective of the present work is the development of a computational framework from …
Electron Tunneling And X-Ray Photoelectron Spectoscopy Studies Of The Superconductiong Properties Of Nitrogen-Doped Niobium Resonator Cavities, Eric M. Lechner, Basu Dev Oli, Junki Makita, Gianluigi Ciovati, Alex Gurevich, Maria Iavarone
Electron Tunneling And X-Ray Photoelectron Spectoscopy Studies Of The Superconductiong Properties Of Nitrogen-Doped Niobium Resonator Cavities, Eric M. Lechner, Basu Dev Oli, Junki Makita, Gianluigi Ciovati, Alex Gurevich, Maria Iavarone
Physics Faculty Publications
We use scanning tunneling microscopy (STM) and spectroscopy (STS), and x-ray photoelectron spectroscopy (XPS) to investigate the effect of nitrogen doping on the surface electronic and chemical structures of cutouts from superconducting Nb radio-frequency cavities. The goal of this work is to get insights into the fundamental physics and materials mechanisms behind the striking decrease of the surface resistance with the radio-frequency magnetic field, which has been observed on N-doped Nb cavities. Our XPS measurements reveal significantly more oxidized Nb 3d states and a thinner metallic suboxide layer on the N-doped Nb surfaces, which is also confirmed by tunneling spectroscopy …