Digital Commons Network^™

Synthesis And Physical Properties Of High Entropy Oxide Ceramics, Brianna L. Musicó

Doctoral Dissertations

Utilizing entropy as the driving force for stabilizing oxide materials offers a path for the discovery of innovative compounds with unique structure-property relations. The multi-cation approach inherent to high entropy oxides (HEOs) is expected to allow for the tailoring of physical properties that meet the requirements of potential applications. However, the intrinsic disorder and highly localized chemical environments of HEOs bring along new challenges. In order to shed light on the complexities associated multi-cation oxides, we have initiated a systematic study of polycrystalline HEO samples across multiple crystal systems. This work expands the multi-component concept to new compositions and crystal …

Kinetics Of The Crystal-Melt Phase Transformation In Semicrystalline Polymers, Kiran Subramaniam Iyer

Doctoral Dissertations

The assembly of long-chain polymers into an ordered state is a process that has puzzled polymer scientists for several decades. A process that is largely controlled by the strength of intermolecular attractions in small molecular systems, this crystallization in the case of polymers is controlled by a competition between the aforementioned force of attraction between monomers and the formidable conformational entropy of polymer chains. Any factor that affects this conformational entropy, whether that is an equilibrium thermodynamic factor or a kinetic factor, has the ability to control polymer crystallization. In this thesis, we focus on understanding the underlying kinetic processes …

Experimental And Modeling Studies Using Packed Bed Reactors: Liquid Phase Ethylene Production By Hydrogenation Of Acetylene, Humayun Shariff

Doctoral Dissertations

"Gas-phase catalytic hydrogenation of acetylene to produce ethylene, commonly practiced in industries, has green oil formation, which leads to catalyst deactivation and sometimes reactor runaway risks due to high exothermicity. To overcome these issues as well as to increase the selectivity and conversion, liquid-phase hydrogenation of acetylene was investigated in packed bed reactors (PBR) using a commercial catalyst. The reactor performance of two-phase flow PBRs was assessed experimentally complemented by a validated mathematical model at different scales.

The selective hydrogenation of acetylene in the liquid phase over a commercial 0.5 wt% Pd/Al₂O₃ catalyst was investigated in a …

Studying The Effects Of Various Process Parameters On Early Age Hydration Of Single- And Multi-Phase Cementitious Systems, Rachel Cook

Doctoral Dissertations

”The hydration of multi-phase ordinary Portland cement (OPC) and its pure phase derivatives, such as tricalcium silicate (C₃S) and belite (ß-C₂S), are studied in the context varying process parameters -- for instance, variable water content, water activity, superplasticizer structure and dose, and mineral additive type and particle size. These parameters are studied by means of physical experiments and numerical/computational techniques, such as: thermodynamic estimations; numerical kinetic-based modelling; and artificial intelligence techniques like machine learning (ML) models. In the past decade, numerical kinetic modeling has greatly improved in terms of fitting experimental, isothermal calorimetry to kinetic-based modelling …

Containment Materials For Thin-Strip Casting Of Steel, Abhishek Kumar

Doctoral Dissertations

"The focus of this research was to investigate the corrosion behavior of BN-based and ZrO₂-C refractories by molten steel. These refractories are used as side-dam and core-nozzle in the thin-strip casting of steel. The improvement and development of these refractory components will increase the process efficiency by prolonging the refractory service life.

The first part of this study focused on interaction of BN-ZrO₂-SiC side-dams with steel-inclusion system in a laboratory setup under argon gas environment. It was observed that corrosion of this ceramic was severe in contact with steel compared to slag/inclusion.

The second part of …

Membrane And Performance Study In Polymer Electrolyte Membrane Fuel Cells And Hydrogen Bromine Redox Flow Batteries, Yujia Bai

Doctoral Dissertations

This dissertation represents the consideration of the problems of polymer electrolyte membrane fuel cells (PEMFC) and hydrogen-bromine redox flow batteries (RFB). Due to the importance of water management in PEMFCs, all the experiments were strictly controlled at different water hydration conditions. Water uptake and densities were measured for Nafion^® and a series of 3M ionomer membranes. The thermodynamics of water and polymer was analyzed based on water uptake experiment and calorimetry. Furthermore, partial molar volumes (PMV) of water/membrane system was defined for the first time and used to analyze the interaction between water and polymers. Three states of water …

Development Of A Computational Methodology For Evaluating In Vivo Vertebral Mechanics In Subjects Having Various Conditions Of The Lumbar Spine, Christopher Brian Carr

Doctoral Dissertations

Treating and evaluating the causes of low back pain (LBP) is difficult and not fully understood. However, assessing the in vivo motions and loading characteristics in the lumbar spine may provide important data for progressing the diagnosis and treatment of pathologies linked with LBP.

This dissertation describes the development of a comprehensive approach for collecting both the kinematics and kinetics of the lumbar vertebrae under in vivo conditions. Forty-four subjects representing healthy, symptomatic, pathological, and surgically implanted (pre- and post-operative) conditions of the lumbar spine were evaluated using dynamic fluoroscopy and 3D-to-2D image registration to assess the motions of the …

Dynamics, Electromyography And Vibroarthrography As Non-Invasive Diagnostic Tools: Investigation Of The Patellofemoral Joint, Filip Leszko

Doctoral Dissertations

The knee joint plays an essential role in the human musculoskeletal system. It has evolved to withstand extreme loading conditions, while providing almost frictionless joint movement. However, its performance may be disrupted by disease, anatomical deformities, soft tissue imbalance or injury. Knee disorders are often puzzling, and accurate diagnosis may be challenging. Current evaluation approach is usually limited to a detailed interview with the patient, careful physical examination and radiographic imaging. The X-ray screening may reveal bone degeneration, but does not carry sufficient information of the soft tissue conditions. More advanced imaging tools such as MRI or CT are available, …

Spatially-Dependent Reactor Kinetics And Supporting Physics Validation Studies At The High Flux Isotope Reactor, David Chandler

Doctoral Dissertations

The computational ability to accurately predict the dynamic behavior of a nuclear reactor core in response to reactivity-induced perturbations is an important subject in the field of reactor physics. Space-time and point kinetics methodologies were developed for the purpose of studying the transient-induced behavior of the Oak Ridge National Laboratory (ORNL) High Flux Isotope Reactor’s (HFIR) compact core. The space-time simulations employed the three-group neutron diffusion equations, which were solved via the COMSOL partial differential equation coefficient application mode. The point kinetics equations were solved with the PARET code and the COMSOL ordinary differential equation application mode. The basic nuclear …

Development Of A Rigid Body Forward Solution Physiological Model Of The Lower Leg To Predict Non Implanted And Implanted Knee Kinematics And Kinetics, John Kyle Patrick Mueller

Doctoral Dissertations

This dissertation describes the development and results of a physiological rigid body forward solution mathematical model that can be used to predict normal knee and total knee arthroplasty (TKA) kinematics and kinetics. The simulated activities include active extension and weight-bearing deep knee bend. The model includes both the patellofemoral and tibiofemoral joints. Geometry of the normal or implanted knee is represented by multivariate polynomials and modeled by constraining the velocity of lateral and medial tibiofemoral and patellofemoral contact points in a direction normal to the geometry surface.

Center of mass, ligament and muscle attachment points and normal knee geometry were …

Computational Study Of Pristine And Titanium-Doped Sodium Alanates For Hydrogen Storage Applications, Gopi Krishna Phani Dathar

Doctoral Dissertations

The emphasis of this research is to study and elucidate the underlying mechanisms of reversible hydrogen storage in pristine and Ti-doped sodium aluminum hydrides using molecular modeling techniques. An early breakthrough in using complex metal hydrides as hydrogen storage materials is from the research on sodium alanates by Bogdanovic et al., in 1997 reporting reversible hydrogen storage is possible at moderate temperatures and pressures in transition metal doped sodium alanates. Anton reported titanium salts as the best catalysts compared to all other transition metal salts from his further research on transition metal doped sodium alanates. However, a few questions remained …