Materials Science and Engineering Commons^™

Ab Initio Investigation On The Surface Chemistry Of Functionalized Titania Membranes, Evan Hyde

Theses and Dissertations--Chemical and Materials Engineering

Titania (titanium dioxide) is a metal oxide which has recently been investigated as a photocatalyst, most commonly for use in hydrolysis, which absorbs mostly in the UV range. However, the range of absorption can be shifted to fall within the visible light range either by doping or by functionalizing the surface with atomic or molecular adsorbates. Over the course of this research, a series of Density Functional Theory (DFT) calculations are performed to ascertain the effects of these different methods on the photocatalytic performance of titania. While the effects of nitrogen doping and oxygen vacancies are well known, more recent …

Electrophoresis In Heterogeneous Hydrogels And Applications In Surface Patterning, Ning Ge

Theses and Dissertations--Mechanical and Aerospace Engineering

The creation of chemical micropatterns on surfaces makes it possible to add unique chemical functionality to surfaces, modifying properties such as wettability, or even adding the ability to selectively bind other molecules. The creation of biochemical surface patterning in particular is useful in a variety of fields including tissue engineering and highthroughput drug screening. There are many existing surface patterning techniques which focus on precise control over the patterned geometry, even down to submicron scale features, but they do not allow local control over chemical concentration. So the results are high resolution patterns with binary concentration. There are also existing …

Stress Generation In Ni50.3Ti29.7Hf20 Shape Memory Alloys, Utsav Shah

Theses and Dissertations--Mechanical and Aerospace Engineering

Shape memory alloys such as NiTiHf and NiTi have the ability to generate large recovery stresses when they are constrained after pre-straining and then heated above their Austenite Finish Temperature (A_f). In this work Ni_49.9Ti_50.1 (at.%), the most well-known SMA with impressive shape memory properties but limited temperature range and Ni_50.3Ti_29.7Hf₂₀, a promising high temperature shape memory alloy, were characterized to reveal their stress generation capabilities. The effects of pre-straining on stress generation were investigated via martensite reorientation method of NiTi and NiTiHf alloys by loading the samples till …

Capillary Flow Of Liquid Aluminum Alloy In Wetting And Wetting/Non-Wetting Systems, Yangyang Wu

Theses and Dissertations--Mechanical and Aerospace Engineering

In this dissertation, the capillary flow of liquid aluminum alloy in both wetting and wetting/non-wetting systems is investigated.

The impact of gravity and surface topography on the capillary flow has been studied in a wetting/non-wetting assembly (an AA3003/Al₂O₃ wedge-tee configuration). The research includes (i) kinetics of liquid Al-Si-K_xAl_yF_z alloy triple line movements and dynamic macro advancing and receding contact angles and (ii) free surface profiles of the molten alloy driven by surface tension and impacted by gravity. A trade-off between the surface tension and gravity force has been found by calculating the …

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 and Aerospace 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 …

Organophosphorus-Hydrazides As Potential Reactive Flame Retardants For Epoxy, Alexander B. Morgan, Vladimir Benin, Donald A. Klosterman, Abdulhamid Bin Sulayman, Mustafa Mukhtar, Mary L. Galaska

Chemical and Materials Engineering Faculty Publications

For structural composites used in vehicles and aircraft, flame retardant chemistries which enhance char formation and reduce heat release are preferred. Phosphorus-based and phosphorus–nitrogen flame retardants for epoxies have been well studied to date, but phosphorus hydrazides have not been studied for their flame-retardant potential in epoxy. These hydrazides offer some novel structures and they can potentially offer a combination of vapor and condensed phase flame retardant action. A series of eight compounds were systematically investigated in this study as reactive flame retardants in a bisphenol F epoxy/aliphatic amine resin system at a level of 2.5 wt% phosphorus. Results suggest …

Gravity-Drawing Flexible Silicone Filaments As Fiber Optics And Model Foldamers, Katherine Snell

CMC Senior Theses

Here, we present a method of gravity-drawing polydimethylsiloxane (PDMS) silicone fibers with application as fiber optics and as model foldamers. Beginning as a viscous liquid, PDMS is cured using heat until its measured viscosity reaches 4000 mPa•s. The semi-cured elastomer is then extruded through a tube furnace to produce thin (diameters on the order of hundred micrometers) filaments with scalable lengths. PDMS is biocompatible, gas-permeable, flexible, and hydrophobic. Additionally, the PDMS surface hydrophobicity can be modified via UV exposure, O2 plasma, and corona discharge. We demonstrate the patternibility (i.e patterns of hydrophobicity) of PDMS fibers, adding complexity to potential foldamer …

Hot Deformation Data For Haynes 214, Haynes 230 And Inconel 740h, Benjamin Adam, Julie Tucker, Graham Tewksbury

Mechanical and Materials Engineering Faculty Publications and Presentations

This article presents the datasets gathered for the hot processing of three Ni-based superalloys intended for A-USC application, Haynes 214, Haynes 230 and Inconel 740H. Isothermal compression tests were conducted with a Gleeble 3500 at temperatures between 1000 C and 1200 C and strain rates between 0.01/s and 1/s to a full true strain of 0.7. The obtained true stress-true strain curves were used as basis for hot processing maps, linking temperature, stress and strain rate. Subsequently, all samples were sectioned through the geometric centre to provide microstructural information, captured using EBSD, as well as EDX for the evolution of …

Potential Of Module Arrangements To Enhance Convective Cooling In Solar Photovoltaic Arrays, B. Stanislawski, Fabien Margairaz, Raúl Bayoán Cal, Marc Calaf

Mechanical and Materials Engineering Faculty Publications and Presentations

When solar photovoltaic (PV) module temperatures rise during operation, commonly-installed modules experience an efficiency loss between 0.1 and 0.5% per degree above 25+C. Thus, extensive research has aimed to reduce the operating temperature of solar modules. However, many cooling solutions require additional cost or equipment that precludes their implementation in utility-scale PV plants. Based on previous studies of land-atmosphere interactions of surface thermal heterogeneity, we hypothesize that certain solar farm arrangements may enhance natural convective heat transfer between the solar modules and surrounding flow. Due to the strong non-linear relationship between module temperature and convective heat transfer, enhancing the convective …

Open-Ended Capstone Project: Designing And Manufacturing Of A Low-Cost Carbon Fiber Reinforced Composite Suborbital Rocket Payload Housing Using A 3d Printed Core, Garam Kim, Sergey Dubikovsky, Peng Hao Wang, Ronald Sterkenburg

International Journal of Aviation, Aeronautics, and Aerospace

Composite materials are utilized in many industries today due to its high performance and lightweight. However, the part manufacturing process of traditional composites is complicated and often involves high cost. The molds used for composite manufacturing are usually one of the contributors to the high part manufacturing cost. The authors demonstrated in this paper a manufacturing process for a carbon fiber reinforced composite rocket payload housing using an additively manufactured polylactic acid (PLA) payload housing core. The paper also demonstrates the designing and manufacturing of a functional product, which was used in a real-life application, achieved by college undergraduate students. …

Lateral Bracing Of Beams Provided By Standing Seam Roof System: Concepts And Case Study, Gengrui Wei, Benjamin Schafer, Michael Seek, Matthew Eatherton

Engineering Technology Faculty Publications

The standing seam roof (SSR) system is the most commonly used roof system for metal buildings due to its superior durability, water tightness, and energy efficiency. In this type of system, SSR panels attach to Z-shaped or C-shaped purlins with clips, and the purlins are in turn connected to rafters (i.e. roof beams). For the design of metal building rafters against lateral torsional buckling, bottom flange braces provide torsional bracing to the rafter and the SSR system provides some lateral bracing. However, the degree to which the SSR system can restrain the rafter against lateral movement has not previously been …

Gold/Qds-Embedded-Ceria Nanoparticles: Optical Fluorescence Enhancement As A Quenching Sensor, Nader Shehata, Effat Samir, Ishac Kandas

Electrical & Computer Engineering Faculty Publications

This work focuses on improving the fluorescence intensity of cerium oxide (ceria) nanoparticles (NPs) through added plasmonic nanostructures. Ceria nanoparticles are fluorescent nanostructures which can emit visible fluorescence emissions under violet excitation. Here, we investigated different added plasmonic nanostructures, such as gold nanoparticles (Au NPs) and Cadmium sulfide/selenide quantum dots (CdS/CdSe QDs), to check the enhancement of fluorescence intensity emissions caused by ceria NPs. Different plasmonic resonances of both aforementioned nanostructures have been selected to develop optical coupling with both fluorescence excitation and emission wavelengths of ceria. In addition, different additions whether in-situ or post-synthesis have been investigated. We found …

Thermoelectric Porous Mof Based Hybrid Materials, Engelbert Redel, Helmut Baumgart

Electrical & Computer Engineering Faculty Publications

Porous hybrid materials and MOF (Metal-Organic-Framework) films represent modern designer materials that exhibit many requirements of a near ideal and tunable future thermoelectric (TE) material. In contrast to traditional semiconducting bulk TE materials, porous hybrid MOF templates can be used to overcome some of the constraints of physics in bulk TE materials. These porous hybrid systems are amenable for simulation and modeling to design novel optimized electron-crystal phonon-glass materials with potentially very high ZT (figure of merit) numbers. Porous MOF and hybrid materials possess an ultra-low thermal conductivity, which can be further modulated by phonon engineering within their complex porous …

Effect Of Layer Thickness On Structural, Morphological And Superconducting Properties Of Nb3Sn Films Fabricated By Multilayer Sequential Sputtering, M. N. Sayeed, U. Pudasaini, C. E. Reece, G. V. Eremeev, H. E. Elsayed-Ali

Electrical & Computer Engineering Faculty Publications

Superconducting Nb₃Sn films can be synthesized by controlling the atomic concentration of Sn. Multilayer sequential sputtering of Nb and Sn thin films followed by high temperature annealing is considered as a method to fabricate Nb₃Sn films, where the Sn composition of the deposited films can be controlled by the thickness of alternating Nb and Sn layers. We report on the structural, morphological and superconducting properties of Nb₃Sn films fabricated by multilayer sequential sputtering of Nb and Sn films on sapphire substrates followed by annealing at 950 °C for 3 h. We have investigated the …

Generation Of Warm Dense Plasma On Solar Panel Infrastructure In Exo-Atmospheric Conditions, Harrison C. Wenzel

Theses and Dissertations

The use of a weaponized thermo-nuclear device in exo-atmospheric conditions would be of great impact on the material integrity of orbiting satellite infrastructure. Particular damage would occur to the multi-layered, solar cell components of such satellites. The rapid absorption of X-ray radiation originating from a nuclear blast into these layers occurs over a picosecond time scale and leads to the generation of Warm Dense Plasma (WDP). While incredibly difficult and costly to replicate in a laboratory setting, a collection of computational techniques and software libraries may be utilized to simulate the intricate atomic and subatomic physics characteristics of such an …

Magnetic Refrigerator Device Based On La (Fexcoysi1-X-Y)13, Khushar Javed

Theses and Dissertations

Particles of Lanthanum-iron-silicide, La (Fe_xCo_ySi_1-x-y)₁₃exhibit different magnetic properties when stored in air compared to the same stored in water. The sample with a nominal composition of La(Fe0_.842Co_0.073Si_0.084)₁₃was prepared by arc-melting from elements under argon atmosphere. In recent years, there has been research conducted on different processes that could drastically reduce energy costs of cooling and replacing gas compressors with magnetocaloric materials. Magnetization measurements were carried out on this magnetocaloric material to characterize it in order to design magnetic refrigerator device based on it. The …

Structure, Morphology And Composition-Property Elucidation Of Ni–Mo And Ni−Mo−P Nanocrystals For Water Splitting Reactions And Group Iv Alloy And Silicate Nanocrystals For Visible To Near Ir Optoelectronics, Ebtesam Hassan Abuelenein Eladgham

Theses and Dissertations

Abstract

Structure, Morphology and Composition-Property Elucidation of Ni–Mo and Ni−Mo−P Nanocrystals for Water Splitting Reactions and Group IV Alloy and Silicate Nanocrystals for Visible to Near IR Optoelectronics

by

Ebtesam Hassan Abuelenein Eladgham

A dissertation submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy at Virginia Commonwealth University.

Advisor: Indika U Arachchige

Associate Professor, Department of Chemistry

Nanomaterials have gained a great attention because of their unique physical properties with size intermediate between molecular materials and extended solids. They have a large surface to volume ratio and display size tunable physical properties that was not …

Design, Microstructure And Properties Of Metastable Beta-Type Biomedical Titanium Alloys, Syed Faraz Jawed

Theses: Doctorates and Masters

Many existing implant biomaterials including cobalt-chromium alloy, stainless steel, Ti-6Al-4V and commercially pure titanium have all been shown to demonstrate mechanical incompatibility, poor osseointegration and/or cause cytotoxic effects on the human body after some years of application, leading to revision surgery in most cases. Consequently, there is an immediate need for an enduring biomaterial that displays good mechanical properties and possesses biocompatibility and corrosion resistance, in order to reduce rates of revision surgeries. In this PhD work, based on the 𝐵𝑜̅̅̅̅-𝑀𝑑̅̅̅̅̅, 𝑒/𝑎̅̅̅̅̅-𝛥𝑟̅̅̅ and BF-d-electron superelastic theoretical relationships four new series of quaternary Ti-25Nb-8Zr-xCr, Ti-25Nb-xSn-yCr, Ti26Nb-xMn-yZr and Ti-25Nb-xMn-ySn alloys have been …

Atomic Layer Deposition Of Oxide Materials For Passivated Carrier Selective Contact Solar Cells, Geoffrey Gregory

Electronic Theses and Dissertations, 2020-2023

Silicon-based devices have dominated the industrial solar cell marketplace for several decades, thanks to the low bulk defect concentration and technological relevance of silicon substrates. This has led to an oversupply of dopant-diffused homojunction technologies, which suffer from significant performance losses at the metal-silicon contact interface. In response, the research community has developed carrier-selective heterojunction contacts, which separate the metal from the silicon absorber with heavily-doped silicon layers. These novel contacts provide the same asymmetrical conductivity as the diffused junction in the previous generations of silicon solar cells, but with less processing complexity and greater device performance. Still, the silicon …

In-Situ X-Ray Imaging Of The Selective Laser Melting Process, Meelap M. Coday

Masters Theses

"Fusion-based metal additive manufacturing (AM) has garnered much interest in recent decades. Despite the popularity of fusion-based AM technologies such as selective laser melting (SLM), there are still fundamental questions and uncertainties that need to be addressed. In this work, we focus on the understanding of the undercooling in the SLM process and the uncertainties induced by the laser beam size, power, and scan speed. First, we report the estimation of undercooling in the SLM process from the solidification rate measured by in-situ high-speed synchrotron x-ray imaging, based on the dendrite growth velocity model. The undercooling changes as a function …

Prediction Of Crack Propagation In Zrb₂-Carbon Based Composites Using The Extended Finite Element Method, Leiren Danielle Jarvis

Masters Theses

“The ultra-high temperature ceramic, zirconium diboride (ZrB₂) has long been researched for applications in extreme environments. Its high strength (> 400 MPa) and thermal conductivity (> 100 W/m•K) make it a candidate for use in hypersonic fight, but a low fracture toughness (< 3 MPa•m^1/2) limits this use. In order to increase the fracture toughness without compromising the strength and thermal conductivity, experimental research has focused on the viability of engineered architectures using multiple materials to create a macrostructure. These architectures allow for the increase of fracture toughness thru crack deflection in the material.

Two architectures in particular, …

Intrinsic Mechanical Properties Of Zirconium Carbide Ceramics, Nicole Mary Korklan

Masters Theses

“This research focuses on the processing and mechanical properties of zirconium carbide ceramics (ZrC_x). The first goal of this project was to densify near stoichiometric (i.e., x as close to 1 as possible) and nominally phase pure ZrC_x. The maximum stoichiometry achieved for the ZrC_x (C/Zr ratio of 0.92) was measured using gas fusion analysis. Hot pressing was used to obtain dense ZrC_x. Archimedes was used to determine the relative density of hot pressed ZrC_x at > 95%. Scanning electron microscopy (SEM) was used to determine the overall microstructure of the hot pressed …

Inclusion Control In Steel Castings, Koushik Karthikeyan Balasubramanian

Masters Theses

“Non-metallic inclusions are mainly comprised of oxides, sulfides, and nitrides, and are formed in liquid steel during the melting and refining process, as a result of reoxidation, worn-out refractories, or entrained slag. The notch toughness of high strength steels is particularly susceptible to the type, number, size, and distribution of non-metallic inclusions. High manganese and aluminum austenitic steels, or Fe-Mn-Al steels, have gained much interest in the military and automotive sector because of their excellent combinations of high strength and toughness. However, these steels are subject to both oxide bifilms and aluminum nitride, AlN, inclusions which form during melting and …

On The Investigation Of Hot Tearing Behavior Of Continuous Cast Steel, Yanru Lu

Masters Theses

”Hot tearing has long been recognized as a major problem that plagues the development of the continuous casting process and results in low-quality products. Understanding of the mechanisms and the required conditions for the hot tearing formation is important for industries but has not been well-established yet. Thus, this research focuses on the hot tearing issue observed in continuous cast steel, by providing a summary of the current research progress and then introducing a new laboratory method to determine the thermo-mechanical properties relevant to hot tearing of different steel grades under different solidification conditions. In this method, an apparatus was …

Performance Evaluation Of Alsi10mg Fabricated By A Selective Laser Melting Process, David Michael Murphy

Masters Theses

“Selective laser melting is becoming a widely used additive manufacturing technique that melts metal powder in a layer by layer process in order to build a desired part or geometry. Like many additive processes, selective laser melting allows for fabrication of parts with complex geometries. In order to fabricate a fully dense part there are a number of variables to take into account including: powder characteristics, laser parameters, and environmental parameters. Each of these variables can affect the microstructure and thus the mechanical performance of an additively manufactured part. In this work, the aluminum alloy AlSi10Mg was investigated. AlSi10Mg is …

Thermodynamic Investigations Of Pure And Blended Cement Mixtures, Jonathan Lapeyre

Doctoral Dissertations

” This research is made up of several studies. The first study focused on understanding the reaction kinetics of Ca₃SiO₅ and metakaolin (MK) mixtures compared to Ca₃SiO₅ and silica fume (SF) mixtures. It was shown that MK was a more effective additive than SF at small replacement levels (i.e. ≥ 10% by mass) while higher replacement levels of MK became a detriment due to excess (Al(OH)₄¯) ions preventing the nucleation and growth of C-S-H. In a follow-up study where the MK particle size distribution (PSD) was modified, similar effects were observed but …

Magnetism In Γ-Fesi2 Nanostructures: A First Principles Study, Sahil Dhoka

Dissertations, Master's Theses and Master's Reports

First-principles calculations are performed on γ-FeSi₂ nanostructures grown on Si (111) and (001) substrate. An attempt to explain the origin of emergent magnetic properties of the metastable gamma phase of iron di-silicide (γ-FeSi₂) is made, which show ferromagnetic behavior on nanoscale, unlike its possible bulk form. Many papers try to explain this magnetism from factors like bulk, epitaxial strain, interface, surface, edges, and corners but doesn’t provide an analytical study for these explanations. Density functional theory is used to analyze the magnetic effects of these factors. The results for the epitaxial structures show no magnetic behavior for …

Sensitivity And Uncertainty Quantification Of Continuum And Stochastic Bond Dissociation Kinetics Based Cohesive Laws, Rishabh Awasthi

Dissertations, Master's Theses and Master's Reports

Polymeric adhesives are being extensively used to develop light weight and durable Composite Materials which are have been employed in automotive, aeronautical, medical industry. Polymeric adhesives undergo failure due to relative opening sliding of bonded interfaces which requires a need to characterize the fracture mechanism. Numerous experiments are conducted to predict the fracture response for Mode-I, II,III and numerical simulations are employed to inversely calibrate the material parameters governing the constitutive laws. Cohesive zone models are largely employed in fracture mechanics to predict failure of interfaces undergoing large plastic deformations. The objective of this report is to employ the cohesive …

Effect Of Cobalt In Thin Wall Ductile Iron And Solid Solution Strengthened Ferritic Ductile Iron, Alejandra I. Almanza

Dissertations, Master's Theses and Master's Reports

Ductile Iron is a material that is constantly evolving. Consequently, the ferrous industry is not only focusing on lightweighting but also on improving the impact strength and fracture toughness of typical ferritic-pearlitic ductile iron grades and solid solution strengthened ferritic ductile irons. Recently, the demand for thin-wall ductile iron and solid solution strengthened ferritic ductile iron grades has increased. The challenges behind the fabrication of these two ductile iron materials are the presence of carbides and the embrittlement of ferrite. In response, research has been focused on looking at alternative methods that can mitigate carbide formation in thin sections and …

Multiscale Modeling Of Carbon Fibers/Graphene Nanoplatelets/Epoxy Hybrid Composites For Aerospace Applications, Hashim Al Mahmud

Dissertations, Master's Theses and Master's Reports

Significant research effort has been dedicated for decades to improve the mechanical properties of aerospace polymer-based composite materials. Lightweight epoxy-based composite materials have increasingly replaced the comparatively heavy and expensive metal alloys used in aeronautical and aerospace structural components. In particular, carbon fibers (CF)/graphene nanoplatelets (GNP)/epoxy hybrid composites can be used for this purpose owing to their high specific stiffness and strength. Therefore, this work has been completed to design, predict, and optimize the effective mechanical properties of CF/GNP/epoxy composite materials at different length scales using a multiscale modeling approach. The work-flow of modeling involves a first step of using …