Engineering Commons^™

Nanoscale Solidification Of Metals By Atomistic Simulations: From Nucleation To Nanostructural Evolution, Avik Mahata

Doctoral Dissertations

"Homogeneous nucleation during solidification in Al (fcc), Fe (bcc) and Mg (hcp) is studied by million-atom molecular dynamics (MD) utilizing the second nearest neighbor modified embedded atom method (2NN-MEAM) potentials. Spontaneous homogenous nucleation from the melt was produced without any influence of pressure, free surface effects and impurities. We also study the effect on the simulation size on homogenous nucleation and the heterogeneity in homogenous nucleation. The heterogeneity in homogenous nucleation originates from the twins, grain boundaries and short range order in the liquid during the initial stages of solidification.

To study the solid-liquid coexistence in binary Al alloys, interatomic …

Three-Dimensional Nanotube Arrays For Solar Energy Harvesting And Production Of Solar Fuels, Wipula P. R. Liyanage

Doctoral Dissertations

"Over the past decade extensive research has been carried out on photovoltaic semiconductors to provide a solution towards a renewable energy future. Fabricating high-efficiency photovoltaic devices largely rely on nanostructuring the photoabsorber layers due to the ability of improving photoabsorption, photocurrent generation and transport in nanometer scale. Vertically aligned, highly uniform nanorods and nanowire arrays for solar energy conversion have been explored as potential candidates for solar energy conversion and solar-fuel generation owing to their enhanced photoconversion efficiencies.

However, controlled fabrication of nanorod and especially nanotube arrays with uniform size and shape and a pre-determined distribution density is still a …

Build Strategy Investigation Of Ti-6al-4v Produced Via A Hybrid Additive Manufacturing Process, Lei Yan

Doctoral Dissertations

“Till now, laser metal deposition (LMD) has been developed with the capability of near-net shape high-performance metal parts fabrication, especially complicated titanium alloys, nickel alloys, and aluminum alloys. However, LMD processed parts usually do not meet end-use requirements without post treatments. In-process part quality inspection and inner features machining are impossible within a single LMD process. Hybrid additive manufacturing (HAM), which integrates additive and subtractive manufacturing in one process, has been proposed to increase the feasibility of complex parts fabrication. This dissertation aims to improve the applications of Ti-6Al-4V parts fabricated via a HAM technique. The first research topic is …

On Developing A Graphitic White Iron For Metal-To-Metal Wear Systems, Jie Wan

Doctoral Dissertations

"This research addressed heat dissipation issues related to the adhesive wear observed in metal-to-metal wear systems, by developing a graphitic white iron to increase thermal diffusivity of the wear components. One of the premium materials commonly used in current metal-to-metal wear systems is Fe15Mo18Cr and field returned parts were characterized as part of this study. Failure analysis showed that white layers were formed on the wearing surface due to frictional heating and surface deformation. These white layers were extremely brittle and could be fractured easily during use, which in turn led to micro-galling defects that caused parts leakage. Increasing thermal …

Development Of Functional Ionic Liquids For Separation And Recovery Of Rare Earth Elements, Mostafa Khodakarami

Doctoral Dissertations

“This research focused on the design and synthesis of task-specific ionic liquids for enhanced extraction and separation of rare earth elements (REEs). Two novel ammonium-based functional ionic liquids (FILs) with oxygen donating groups: trioctyl(2-ethoxy-2-oxoethyl)ammonium dihexyl diglycolamate, [OcGBOEt][DHDGA], and tricaprylmethylammonium dihexyl diglycolamate, [A336][DHDGA] were synthesized and tested for the recovery and separation of selected REEs from aqueous solutions. Functionalities with different denticities were incorporated into both anionic and cationic parts of ionic liquids, which are solely composed of incinerable atoms including C, H, O, and N. The structural, physical, and chemical properties of the synthesized FILs were studied using nuclear magnetic …

Atomistic Simulations Of Deformation In Metallic Nanolayered Composites, Sixie Huang

Doctoral Dissertations

"The mechanical behavior of Metallic Nanolayered Composites (MNCs) is governed by their underlying microstructure. In this dissertation, the roles of the interlayer spacing (grain size, d) and the intralayer biphase spacing (layer thickness, h) on mechanical response of Cu/Nb MNCs are examined by Molecular Dynamics (MD) simulations. The study of the strength of MNCs show that small changes in both d and h play a profound role in the relative plastic contributions from grain boundary sliding and dislocation glide. The interplay of d and h leads to a very broad transition region from grain boundary sliding dominated flow, where the …

Electrodeposition Of Epitaxial Metal Thin Films On Silicon For Energy Conversion And Flexible Electronics, Qingzhi Chen

Doctoral Dissertations

"This research focuses on epitaxial electrodeposition of two coinage metals: Au and Ag thin films on the silicon surface and their applications in flexible electronics and energy conversion and storage. The first paper: Photoelectrochemistry of ultrathin, semi-transparent, and catalytic gold films electrodeposited epitaxially onto n-silicon (111) describes the epitaxial electrodeposition of Au thin films on n-type Si using a simple HAuCl4 bath and the photoelectrochemical properties of the Au-Si junction barrier. The effect of the Au layer on the interfacial energetics as well as the stability of the photoelectrode as a function of the Au coverage/thickness is determined in a …

Polyurea Aerogels: From Nanoscopic To Macroscopic Properties, Tahereh Taghvaee

Doctoral Dissertations

"The morphology of a material is intrinsically a qualitative property and in order to relate nanomorphology to synthetic conditions, it is necessary to express nano/micro-structure quantitatively. In this context, polyurea aerogels were chosen as a model system with demonstrated potential for rich nanomorphology and being guided by a statistical Design-of-Experiments model, a large array of materials (208) with identical chemical composition, but quite different nanostructures were prepared. By reflecting upon the SEM images, it was realized that our first pre-verbal impression about a nanostructure is related to its openness and texture; the former is quantified by porosity (Π), and the …

Development Of Stage-I Tempered High Strength Cast Steel For Ground Engaging Tools, Viraj Ashok Athavale

Doctoral Dissertations

"Ground Engaging Tools (GET) are the expendable replacement parts used in heavy machinery used with mining or construction equipment. GET’s protect the expensive machine components from the wear and tear found common in high-impact or high-abrasion environments. The goal of this project is to develop advanced next-generation alloy choices that outperforms the existing GET materials. A method of predicting tempered hardness of mixed microstructures was formulated. Using this model, two alloy series viz. Cr-Ni-Mo and Mn-Si-Mo-V were proposed and experimented with the goal of obtaining a high strength and impact resistant cast steel. Cast iterations of Cr-Ni-Mo alloy series were …

Development And Characterization Of Nanostructured Steels And High Entropy Alloys For Nuclear Applications, Andrew Kalevi Hoffman

Doctoral Dissertations

"Nuclear reactor materials are subjected to a harsh environment including high temperatures and radiation fluences. In order to extend the lifetime of current light water reactors (LWRs) and realize the development of advanced Gen IV nuclear reactors new materials must be developed which can withstand such an environment. This thesis involves two approaches to solving this materials problem: advanced manufacturing of current commercial alloys using severe plastic deformation (SPD) and the development of new advanced high entropy alloys (HEAs).

Because SPD is effective at achieving grain refinement, this technique was used to obtain material having a high volume fraction of …

The Effects Of Fatigue And Weathering On The Failure Behavior Of Commercial Soda-Lime-Silicate Glass, Erica Ann Ronchetto

Doctoral Dissertations

"The principle objective of this research is to advance our understanding of the effects of humid conditions on the strength and susceptibility to fatigue of soda-lime silicate (SLS) glass. The two-point bend method was used to evaluate the fatigue characteristics and the degradation of failure strain of fibers drawn from melts of commercial soda-lime silicate glass and exposed to various environmental conditions. Soda lime silicate glasses from two commercial products but with similar nominal compositions were examined. One glass had pristine failure strains about 10% greater than the other, but both had similar fatigue parameters. The fatigue parameter increased from …

Biomaterials For Bone Regeneration, Youqu Shen

Doctoral Dissertations

"The purpose of this Ph.D. research is to investigate and improve two classes of hydroxyapatite (HA)-based biomaterials for bone repair: calcium phosphate microspheres and bioactive silicate glass scaffolds. These biomaterials were prepared with modified compositions and microstructures and then were evaluated for bone regeneration.

The open HA microspheres with dense convex surfaces and rough and porous concave surfaces were obtained by sectioning closed hollow HA microspheres. Bone regeneration with the open HA microspheres was greater than with the closed HA microsphere at 12 weeks. Hollow biphasic calcium phosphate (BCP) microspheres have been prepared with different fractions of HA and β-TCP …

Remanufacturing Of Precision Metal Components Using Additive Manufacturing Technology, Xinchang Zhang

Doctoral Dissertations

"Critical metallic components such as jet engine turbine blades and casting die/mold may be damaged after servicing for a period at harsh working environments such as elevated temperature and pressure, impact with foreign objects, wear, corrosion, and fatigue. Additive manufacturing has a promising application for the refurbishment of such high-costly parts by depositing materials at the damaged zone to restore the nominal geometry. However, several issues such as pre-processing of worn parts to assure the repairability, reconstructing the repair volume to generate a repair tool path for material deposition, and inspection of repaired parts are challenging. The current research aims …

Improving Base Metal Electrowinning, Charles Ebenezer Abbey

Doctoral Dissertations

"In zinc electrowinning, Mn oxidizes to form MnO₂ on Pb-Ag anodes, cell walls and pipes. MnO₂ reduces anode corrosion but also leads to short circuits and maintenance issues. MnO₂ is thought to interact with chloride ions and produce oxidized chlorine species. The interactions between Mn and Cl are not well understood. Bench scale experiments were conducted to investigate the effects of the manganese to chloride ratio on anode corrosion rate and electrolyte chemistry using rolled Pb-Ag anodes. Increasing the average Mn/Cl^- ratio from ~7:1 to ~11:1 reduced the anode corrosion rate. Anode scales produced with Mn/Cl …

Chemically-Bonded Enamel-Coated Steel Pipelines For Corrosion Protection And Flow Efficiency, Liang Fan

Doctoral Dissertations

"This study is to explore and develop chemically-bonded enamel coating (200-300 um) on steel pipes, when subjected to soil and thermal environments, in order to improve the corrosion protection and safety of hazardous liquid and natural gas pipelines while reducing pressure loss. Out of five types of enamels and their various mixtures, Tomatec slurry and GP2118 powder were selected for steel pipeline applications. They were applied at approximately 810 °C to the inside surface of steel pipes in wet and electrostatic processes, respectively. The thickness and surface roughness of the enamel coating were measured using a gauge and an optical …

Epitaxial Growth Of Semiconductors And Chiral Metal Surfaces Using Spin Coating And Electrodeposition, Meagan V. Kelso

Doctoral Dissertations

"The current primary methods for epitaxial growth are energy intensive, requiring high temperature or high vacuum to obtain quality thin films. This dissertation explores the solution process methods of electrodeposition and spin coating for growth of epitaxial thin films. First, a method is developed to directly electrodeposit epitaxial CH₃NH₃PbI₃ perovskite for solar cells on single crystal Au by electrochemically reducing I₂ in organic solution. Perovskite is a newly explored material for solar cells, and its efficiency may be further improved by increasing the crystalline order. Second, a study on epitaxially electrodeposited chiral metal surfaces …

Freeform Extrusion Fabrication Of Advanced Ceramics And Ceramic-Based Composites, Wenbin Li

Doctoral Dissertations

"Ceramic On-Demand Extrusion (CODE) is a recently developed freeform extrusion fabrication process for producing dense ceramic components from single and multiple constituents. In this process, aqueous paste of ceramic particles with a very low binder content ( < 1 vol%) is extruded through a moving nozzle to print each layer sequentially. Once one layer is printed, it is surrounded by oil to prevent undesirable water evaporation from the perimeters of the part. The oil level is regulated just below the topmost layer of the part being fabricated. Infrared radiation is then applied to uniformly and partially dry the top layer so that the yield stress of the paste increases to avoid part deformation. By repeating the above steps, the part is printed in a layer-wise fashion, followed by post-processing. Paste extrusion precision of different extrusion mechanisms was compared and analyzed, with an auger extruder determined to be the most suitable paste extruder for the CODE system. A novel fabrication system was developed based on a motion gantry, auger extruders, and peripheral devices. Sample specimens were then produced from 3 mol% yttria stabilized zirconia using this fabrication system, and their properties, including density, flexural strength, Young's modulus, Weibull modulus, fracture toughness, and hardness were measured. The results indicated that superior mechanical properties were achieved by the CODE process among all the additive manufacturing processes. Further development was made on the CODE process to fabricate ceramic components that have external/internal features such as overhangs by using fugitive support material. Finally, ceramic composites with functionally graded materials (FGMs) were fabricated by the CODE process using a dynamic mixing device"--Abstract, page iv.

Oxide Inclusion Evolution And Factors That Influence Their Size And Morphology, Obinna M. Adaba

Doctoral Dissertations

"The evolution of oxide inclusion size distribution and the shape of the distribution during steelmaking and casting and the process variables that influence the inclusion characteristics at different stages were investigated and documented. A statistical method for transforming the 2D size distribution to their actual 3D distributions and the application of a kinetic model to determine nucleation and growth mechanisms were tested. Finally, laboratory experiments were performed to study the effects of preexisting inclusions, steel active oxygen content, and supersaturation on the size and morphology of Al₂O₃ inclusions.

The inclusion size, composition, and morphology following steel deoxidation …

Nanomorphology Dependent Optical And Mechanical Properties Of Aerogels, Chandana Mandal

Doctoral Dissertations

"Aerogels are very low density, light weight open pore materials. A hypothesis that is under intense current investigation by the scientific community states that the mechanical properties of nanostructured polymers depend on their nanomorphology. Aerogels are nanostructured ultra-lightweight nanoporous materials with skeletal frameworks that can display a wide range of nanomorphologies. Thereby aerogels comprise a suitable platform for testing not only that hypothesis but also a wide range of other properties such as light scattering for applications, for example, in thermally insulating windows.

To study the mechanical properties of nanostructured matter as a function of nanomorphology, various shape-memory polyurethane aerogels …

Synthesis And Applications Of Ceramic (Silicon Carbide And Silicon Nitride), Metallic (Cobalt(0)) And Polymeric (Polyurethane) Aerogels, Parwani M. Rewatkar

Doctoral Dissertations

"A new method has been demonstrated for the synthesis of monolithic ceramic and purely metallic aerogels from xerogel powder compacts, and the use of polyurethane aerogels based on cyclodextrins as efficient desiccants.

I. Highly porous ( > 80%) monolithic SiC and Si₃N₄, aerogels were prepared from compressed compacts of polyurea-crosslinked silica xerogel powders. The process is time efficient as solvent-exchange through powders is fast, and energy efficient as it bypasses drying with supercritical fluids. The final ceramic objects were chemically pure, sturdy, with compressive moduli at 37 ±7 MPa and 59 ± 7 MPa, and thermal conductivities …

Microstructural Evolution Of Zirconium Carbide (Zrcₓ) Ceramics Under Irradiation Conditions, Raul Florez

Doctoral Dissertations

A comprehensive understanding of the microstructural evolution of Zirconium Carbide (ZrC₂) ceramics under irradiation conditions is required for their successful implementation in advanced Gen-IV gas-cooled nuclear reactors. The research presented in this dissertation focusses on elucidating the ion and electron irradiation response of ZrC₂ ceramics. In the first part of the research, the microstructural evolution was characterized for ZrC₂ ceramics irradiated with 10 MeV Au³⁺ ions up to doses of 30 displacement per atom (dpa) at 800 ºC. Coarsening of the defective microstructure, as a function of dose, was revealed by transmission electron microscopy analysis. …