Structural Materials Commons^™

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 …

Precipitation, Orientation And Composition Effects On The Shape Memory Properties Of High Strength Nitihfpd Alloys, Emre Acar

Theses and Dissertations--Mechanical Engineering

NiTiHf high temperature shape memory alloys are attractive due to their high operating temperatures (>100 ^oC) and acceptable transformation strain compared to NiTi. However, NiTiHf has limitations due to their lack of ductility and low strength, resulting in poor shape memory properties. In this study, Pd has been added to NiTiHf alloys in an attempt to improve their shape memory behavior. A combined approach of quaternary alloying and precipitation strengthening was used.

The characterization of a Ni_45.3Ti_29.7Hf₂₀Pd₅ (at. %) polycrystalline alloy was performed in compression after selected aging treatments. Transmission electron …

Numerical Modeling And Characterization Of Vertically Aligned Carbon Nanotube Arrays, Johnson Joseph

Theses and Dissertations--Mechanical Engineering

Since their discoveries, carbon nanotubes have been widely studied, but mostly in the forms of 1D individual carbon nanotube (CNT). From practical application point of view, it is highly desirable to produce carbon nanotubes in large scales. This has resulted in a new class of carbon nanotube material, called the vertically aligned carbon nanotube arrays (VA-CNTs). To date, our ability to design and model this complex material is still limited. The classical molecular mechanics methods used to model individual CNTs are not applicable to the modeling of VA-CNT structures due to the significant computational efforts required. This research is to …