Materials Science and Engineering Commons^™

Amine-Pillared Nanosheet Adsorbents For Co2 Capture Applications, Hui Jiang

Chemical Engineering Master's Theses

Amine-functionalized solid adsorbents have gained attention within the last decade for their application in carbon dioxide capture, due to their many advantages such as low energy cost for regeneration, tunable structure, elimination of corrosion problems, and additional advantages. However, one of the challenges facing this technology is to accomplish both high CO₂ capture capacity along with high CO₂ diffusion rates concurrently. Current amine-based solid sorbents such as porous materials similar to SBA-15 have large pores diffusion entering molecules; however, the pores become clogged upon amine inclusion.

To meet this challenge, our group's solution involves the creation of ...

Influence Of The Temperature On Flow-Induced Crystallization Of Isotactic Polypropylene And Propylene-Ethylene Random Copolymer, Hugo Boitout

Mechanical (and Materials) Engineering -- Dissertations, Theses, and Student Research

When flow is applied on a semi-crystalline polymer melt, it can greatly impact how it crystallizes its final properties. Therefore, it is crucial to understand the basic mechanism of flow induced crystallization (FIC). Only then will it be possible to predict final properties from the type of resin and processing conditions. Polypropylene is one of the most widely used polymers. Its processing generally involves subjecting the melt to intense flow fields, so FIC commonly occurs.

This study investigates the influence of temperature of shear and crystallization on the FIC behavior of isotactic polypropylene (iPP). Temperature is one of the main ...

Thermophonon, Nikolai A. Zarkevich

Ames Laboratory Software

ThermoPhonon is a stand-alone code, which can be integrated into other software packages. Typically, it is used together with a density functional theory (DFT) code (such as VASP, Wien2k, AbInit, SIESTA) and a phonon code (such as Phonopy or Phon). The workflow is the following.

• Molecular dynamics (MD) in a supercell at a given temperature T is performed using another code. After sufficient equilibration, the output in the form of atomic positions and forces for a large number of selected MD steps is recorded into a file. If needed, one can modify this file by applying additional constraints, such as ...

Microstructure And Magnetic Behavior Studies Of Processing-Controlled And Composition-Modified Fe-Ni And Mn-Al Alloys, Yunlong Geng

Mechanical (and Materials) Engineering -- Dissertations, Theses, and Student Research

L1₀-type (Space group P4/mmm) magnetic compounds, including FeNi and MnAl, possess promising technical magnetic properties of both high magnetization and large magnetocrystalline anisotropy energy, and thus offer potential in replacing rare earth permanent magnets in some applications.

In equiatomic Fe-Ni, the disorder-order transformation from fcc structure to the L1₀ structure is a diffusional transformation, but is inhibited by the low ordering temperature. The transformation could be enhanced through the creation of vacancies. Thus, mechanical alloying was employed to generate more open-volume defects. A decrease in grain size and concomitant increase in grain boundary area resulted from ...

Power Variation With Electret Surface Potential And Frequency Of Vibration In Vertical Vibration Based Cantilever-Electret Micro-Power Generation, Innovative Research Publications Irp India, Akin-Ponnle A.E, Ponnle A.A, Falaki S.O.

Innovative Research Publications IRP India

A cantilever-electret based electrostatic micro-power generator for energy harvesting was set up in which Cyclic Transparent Optical Polymer (CYTOP) was used as the electret, and the upper electrode was made in form of an Ashaped cantilever which was fabricated from materials of copper with embedded glass epoxy. The cantilever was vibrated in the vertical direction in close to contact point mode of operation. Experimental result showed that the average output power increases with increasing electret surface potential, and the minimum distance to contact point decreases with increasing electret surface potential. Also, variation of output power with frequency was investigated by ...

Utilization Of Aqueous Raft Prepared Copolymers To Improve Anticancer Drug Efficacy, Andrew Christopher Holley

Dissertations

The advent of controlled radical polymerization (CRP) techniques, along with advancements in facile conjugation chemistry, now allow synthetic tailoring of precise, polymeric architectures necessary for drug/gene delivery. Reversible addition- fragmentation chain transfer (RAFT) polymerization and its aqueous counterpart (aRAFT) afford quantitative control over key synthetic parameters including block length, microstructure, and placement of structo-pendent and structo-terminal functionality for conjugation of active agents and targeting moieties. The relevance of water-soluble and amphiphilic (co)polymers synthesized by RAFT for in vitro delivery of therapeutics in biological fluids is an especially attractive feature. In many cases, polymerization, binding ...

Zone Refining Of Raw Materials For Metal Halide Scintillator Crystal Growth, Thomas Williams Mcalexander

Masters Theses

In recent years, scintillators have been researched for homeland security applications where properties such as high light output and low energy resolution are required for efficient gamma ray spectroscopy. Several promising scintillators, including SrI₂ [Strontium Iodide], CsSrI₃ [Cesium Strontium Iodide]_, and KSr₂I₅ [Potassium Strontium Iodide] are activated with EuI₂ [Europium Iodide]. The quality of EuI₂ raw material is generally poor and inconsistent as-received from the manufacturer. Material purity is known to affect its scintillation performance, and so purification processes have been investigated to improve the performance of Eu-doped [Europium-doped] scintillators. In this work ...

Low Molecular Weight Glucosamine/L-Lactide Copolymers As Potential Carriers For The Development Of A Sustained Rifampicin Release System: Mycobacterium Smegmatis As A Tuberculosis Model, Jorge Ragusa

Chemical & Biomolecular Engineering Theses, Dissertations, & Student Research

Tuberculosis, a highly contagious disease, ranks as the second leading cause of death from an infectious disease, and remains a major global health problem. In 2013, 9 million new cases were diagnosed and 1.5 million people died worldwide from tuberculosis. This dissertation aims at developing a new, ultrafine particle-based efficient antibiotic delivery system for the treatment of tuberculosis. The carrier material to make the rifampicin (RIF)-loaded particles is a low molecular weight star-shaped polymer produced from glucosamine (molecular core building unit) and L-lactide (GluN-LLA). Stable particles with a very high 50% drug loading capacity were made via electrohydrodynamic ...

Characterizing The Mechanical Behavior Of Single And Polycrystalline Silicon Carbide Using Nanoindentation., Amit Datye

Doctoral Dissertations

This research aims at enhancing the fundamental understanding of mechanisms controlling the deformation and fracture of silicon carbide based ceramics (single- and poly-crystal). The role of microstructure and material properties on the energy absorption capability of SiC is studied. This research helps to improve the ability to quantitatively predict the initiation and propagation of fracture and the interaction between fracture and plasticity, which provides a step towards a mechanistic understanding of deformation and failure properties of ceramic single crystals and polycrystals. The validity of the indentation-cracking method for toughness measurement is examined using nanoindentation tests with different indenters (spherical, pyramidal ...

A Study Of Energy Resolution And Non-Proportionality Of Yalo3:Ce And Gd3ga3al2o12:Ce, Samuel Bradley Donnald

Doctoral Dissertations

For many radiation detection applications, energy resolution is one of the most important detector characteristics. In well designed scintillation detectors, the energy resolution is primarily driven by two main factors - the light output and light yield non-proportionality. A great deal of research has already focused on understanding and improving the light yield of scintillation detectors; however, light yield non-proportionality is less well understood. Until recently, light yield non-proportionality was thought to be an intrinsic scintillator property with very little sample-to-sample variation. In this work, two materials have been investigated that demonstrate a variable light yield non-proportionality. The first material investigated ...

Plastic Anisotropy Of Complex Crystals And Hierarchically Structured Alloys Using Micro-Mechanical Computational Analysis, Lin Li

Doctoral Dissertations

The material anisotropy is one of the most important material properties that cannot be disregarded in today’s world of materials designing and manufacturing. As new materials being developed and new material demands are introduced the inevitable focus on anisotropic materials has been brought under the spotlight. In this dissertation, several experimental and simulation project regarding material anisotropic effects on hexagonal close packed crystals such as Silicon Carbide as well and hierarchically structured solid solution ferritic based alloys. The general purpose was to demonstrate the improvement on various intended material properties using finite element method. Since indentation is a widely ...

Thermodynamic Modeling Of Uranium And Oxygen Containing Ternary Systems With Gadolinium, Lanthanum, And Thorium, Jacob Wesley Mcmurray

Doctoral Dissertations

The CALPHAD method is used to assess the thermodynamic properties and phase relations in the U-M-O system where M = Gd, La, and Th. A compound energy formalism (CEF) model for fluorite UO_2±x [urania] is extended to represent the complex U_1-yM_yO_2±x [urania solid solution] phases. The lattice stabilities for fictive GdO₂ [gadolinia] and LaO₂ [lanthana] fluorite structure compounds are calculated from density functional theory (DFT) for use in the CEF for U_1-yM_yO_2±x [urania solid solution phase] while U⁶⁺ [uranium 6 plus cation] is introduced ...

Fatigue, Fracture, And Environmentally-Assisted Behavior Of Advanced Engineering Materials, Zhi Tang

Doctoral Dissertations

The objective of the present study is to provide a fundamental understanding of fatigue, fracture, and environmentally-assisted behavior of high-entropy alloys (HEAs). The work involves fatigue, fracture, and environmentally-assisted behavior of a new kind of advanced engineering materials, called HEAs. Three tasks are studied: (1) microstructures and fracture mechanisms of HEAs, (2) fatigue failure and life prediction of HEAs, and (3) corrosion and environmentallyassisted behavior of HEAs.

In the first task, microstructural stability and fracture mechanism of the AlCoCrFeNi alloy are studied and compared with thermodynamic calculations. In the second task, high-cycle fatiguefailure mechanisms of the cold-rolled Al0.5CoCrCuFeNi alloy ...

Investigation Of Deformation And Failure Mechanisms In Nanoindentation Mechanics, Yuzhi Xia

Doctoral Dissertations

This dissertation further extends nanoindentation to study the initiation of plasticity in single crystals in nanoscale stressed volumes, to the instrumented tests for damage evaluation and monitoring, and to the fundamental issues in deformation and failure mechanisms in relationship to the defect evolutions.

In the first project, model Fe-Cr, Fe-Ni and Fe-Cr-Ni alloys that are the basis of many structural steels were synthesized as single crystals and characterized. The compositions investigated were Fe-15Cr, Fe-30Cr, Fe-30Ni and Fe-15Cr-15Ni (atomic percent). Several key mechanical properties were determined which will be useful in further studies of irradiation/deformation-induced defects. Incipient plasticity and slip ...

Influence Of Texture And Grain Size On The Plastic Anisotropy In A Wrought Mg Alloy: Synchrotron X-Ray Diffraction And Visco-Plastic Self-Consistent Modeling, Yi Wang

Doctoral Dissertations

The combined effects of texture and grain size on the yielding and hardening behavior in a hot-rolled AZ31B Mg alloy were studied by using synchrotron x-ray diffraction and visco-plastic self-consistent (VPSC) simulation methods.

First, the influence of texture on Hall-Petch relationships (namely, critical resolved shear stresses and hardening parameters) in a Mg alloy was investigated to establish a constitutive basis for the VPSC simulation.

Then, the changes in dominant deformation mechanisms (basal, prismatic, and pyramidal slip as well as extension twin) and their relative interactions were studied systematically as a function of the initial texture using a VPSC scheme. The ...

Elucidating Fundamental Mechanisms In Focused Electron- And Ion-Beam Induced Synthesis, Carlos M. Gonzalez

Doctoral Dissertations

A focused electron beam deposition process (FEBID) coupled with in-situ infrared pulsed laser assist (LA-EBID) has been implemented for higher purity tungsten nanowires using W(CO)₆ [tungsten hexacarbonyl] as parent precursor gas. Nanowires made of Co from Co₂(CO)₈ [dicobalt octacarbonyl] and Pt from MeCpPtIVMe₃ [trimethyl methylcyclopentadienyl platinum] have also been realized by using inert focused ion beams of helium and helium and neon, respectively. In all cases, higher electrical conductivities, higher purities and larger grain sizes have been obtained when compared with preceding traditional additive edit techniques. These new approaches will make possible successful nanoscale ...

Fabrication Of 3d Ultrafine Fibrous Protein Structures Via Freeze-Drying, Yiling Huang

Textiles, Merchandising and Fashion Design: Dissertations, Theses, & Student Research

In this thesis, ultrafine fibrous 3D matrices were fabricated using three different proteins (soy protein, wool keratin, and chicken feather keratin) via freeze-drying. Protein matrices are preferable for tissue engineering compared to matrices made from synthetic material because of their similarity to native extracellular matrices. Due to their cell-binding motifs, natural proteins are also recognized as more biocompatible compared. Freeze-drying, which is a simple method used to produce 3D sponge matrices, was employed in this study to fabricate 3D fibrous matrices in a controlled manner. The inner structures of the 3D matrices fabricated ranged from film to fibers, and the ...

Development Of A High Precision Quantum Dot Synthesis Method Utilizing A Microfluidic Reactor And In-Line Fluorescence Flow Cell, William Henry Lafferty

Master's Theses and Project Reports

Quantum dots show great potential for use as spectral converters in solar cells, lighting applications, and biological imaging. These applications require precise control of quantum dot size to maximize performance. The quality, size, and fluorescence of quantum dots depend on parameters that are difficult to control using traditional batch synthesis processes. An alternative, high precision process was developed for the synthesis of cadmium-selenide quantum dots using a microfluidic reactor and fluorescence flow cell. The process required creating separate cadmium and selenium precursors that were then mixed in a nitrogen environment at 17°C. Using an NE-300^® syringe pump, the solution ...

Effect Of Plasticizer On Oxygen Permeability Of Cast Polylactic Acid (Pla) Films Determined Using Dynamic Accumulation Method, Kurniawan Yuniarto, Bruce A. Welt, Aris Purwanto, Hadi Karia Purwadaria, Ayman Abdellatief, Titi C. Sunarti, Setyo Purwanto

Journal of Applied Packaging Research

Polylactic acid (PLA) is becoming an increasingly important biopolymer for packaging applications. PLA brittleness limits its applicability. This study evaluated PLA properties with increasing amounts of added polyethylene glycol (PEG) plasticizer. Oxygen transmission rate (OTR) of cast films was determined using the newly available Dynamic Accumulation (DA) method. Arrhenius temperature sensitivity of OTR and polymer Permeability was also determined. Permeability of neat PLA is 4.848 ml mm (STP)/m² s kPa; hence, 4.84 ml mm (STP)/m² s kPa, 4.07 ml mm (STP)/m² s kPa and 5.42 ml mm (STP)/m^{2 ...}

Electrochemically Active Biofilm Assisted Synthesis Of Ag@Ceo2 Nanocomposites For Antimicrobial Activity, Photocatalysis And Photoelectrodes, Mohammad Mansoob Khan Dr, S. A. Ansari, J. H. Lee, M. O. Ansari, J Lee, M. H. Cho

Dr. Mohammad Mansoob Khan

Ag@CeO2 nanocomposites were synthesized by a biogenic and green approach using electrochemically active biofilms (EABs) as a reducing tool. The as-synthesized Ag@CeO2 nanocomposites were characterized and used in antimicrobial, visible light photocatalytic and photoelectrode studies. The Ag@CeO2 nanocomposites showed effective and efficient bactericidal activities and survival test against Escherichia coli O157:H7, and Pseudomonas aeruginosa. The as-synthesized Ag@CeO2 nanocomposites also exhibited enhanced visible light photocatalytic degradation of 4-nitrophenol and methylene blue than pure CeO2. A photocatalytic investigation showed that the Ag@CeO2 nanocomposites possessed excellent visible light photocatalytic activities compared to pure CeO2. Electrochemical impedance spectroscopy ...