Materials Science and Engineering Commons^™

Graphene Oxide Quantum Dots Covalently Functionalized Pvdf Membrane With Significantly-Enhanced Bactericidal And Antibiofouling Performances, Zhiping Zeng, Dingshan Yu, Ziming He, Jing Liu, Fang-Xing Xiao, Yan Zhang, Rong Wang, Dibakar Bhattacharyya, Timothy Thatt Yang Tan

Chemical and Materials Engineering Faculty Publications

Covalent bonding of graphene oxide quantum dots (GOQDs) onto amino modified polyvinylidene fluoride (PVDF) membrane has generated a new type of nano-carbon functionalized membrane with significantly enhanced antibacterial and antibiofouling properties. A continuous filtration test using E. coli containing feedwater shows that the relative flux drop over GOQDs modified PVDF is 23%, which is significantly lower than those over pristine PVDF (86%) and GO-sheet modified PVDF (62%) after 10 h of filtration. The presence of GOQD coating layer effectively inactivates E. coli and S. aureus cells, and prevents the biofilm formation on the membrane surface, producing excellent antimicrobial activity and …

Strain Effects On The Work Function Of An Organic Semiconductor, Yanfei Wu, Annabel R. Chew, Geoffrey A. Rojas, Gjergji Sini, Greg Haugstad, Alex Belianinov, Sergei V. Kalinin, Hong Li, Chad Risko, Jean-Luc Brédas, Alberto Salleo, C. Daniel Frisbie

Chemistry Faculty Publications

Establishing fundamental relationships between strain and work function (WF) in organic semiconductors is important not only for understanding electrical properties of organic thin films, which are subject to both intrinsic and extrinsic strains, but also for developing flexible electronic devices. Here we investigate tensile and compressive strain effects on the WF of rubrene single crystals. Mechanical strain induced by thermal expansion mismatch between the substrate and rubrene is quantified by X-ray diffraction. The corresponding WF change is measured by scanning Kelvin probe microscopy. The WF of rubrene increases (decreases) significantly with in-plane tensile (compressive) strain, which agrees qualitatively with density …

Development Of Pvdf Membrane Nanocomposites Via Various Functionalization Approaches For Environmental Applications, Douglas M. Davenport, Minghui Gui, Lindell E. Ormsbee, Dibakar Bhattacharyya

Chemical and Materials Engineering Faculty Publications

Membranes are finding wide applications in various fields spanning biological, water, and energy areas. Synthesis of membranes to provide tunable flux, metal sorption, and catalysis has been done through pore functionalization of microfiltration (MF) type membranes with responsive behavior. This methodology provides an opportunity to improve synthetic membrane performance via polymer fabrication and surface modification. By optimizing the polymer coagulation conditions in phase inversion fabrication, spongy polyvinylidene fluoride (PVDF) membranes with high porosity and large internal pore volume were created in lab and full scale. This robust membrane shows a promising mechanical strength as well as high capacity for loading …

Underwater Explosion Energy Dissipation Near Waterborne Infrastructure, Paul R. Smith

Theses and Dissertations--Civil Engineering

Underwater explosions pose a significant threat to waterborne infrastructure though destructive pressure waves that can travel significant distances through the water. However, the use of bubble screens can attenuate the peak pressure and energy flux created by explosions to safe levels. This study investigates the prediction of pressure wave characteristics based on accumulated data, the damage potential of underwater explosions based on applied loads and effective material strength, and the bubble screen parameters required to prevent damage. The results were compiled to form a procedure for the design and implementation of a bubble screen the protection of waterborne infrastructure.

Electron Beam Induced Deposition Of Highly Conductive Copper Nanowires From Bulk Liquids, Amjad M. Syam

Theses and Dissertations--Electrical and Computer Engineering

Electron-beam induced deposition (EBID) is a position-controlled technique that can directly fabricate nanometer-sized structures in functional materials. In the standard process, a gaseous precursor delivers the desired substance to the substrate for deposition. However, the material purity from these precursors is typically poor, which often negatively affects the functional properties of the deposit. Recently, bulk liquid precursors have been investigated as promising reactants for high purity deposition without the need for post-processing. In this work, EBID from bulk liquids is shown to yield highly conductive nanowire deposits. Aqueous solutions containing copper sulfate (CuSO₄) and sulfuric acid (H_{2 …}

Evaluation Of Flocculation, Sedimentation, And Filtration For Dewatering Of Algal Biomass, Nicholas A. Rhea

Theses and Dissertations--Biosystems and Agricultural Engineering

Algae can be used as a feedstock for agricultural fertilizers, livestock/poultry feeds, anaerobic digestion, and biofuel production. Regardless of the end product, water removal is necessary and difficult to do cost effectively. For each product the requirements for moisture content (or solids content) vary, such that a desirable water removal strategy would need to be adaptable to varying levels of water removal. Flocculation, with sedimentation and drying was evaluated as a possible strategy for algae dewatering. Anionic and nonionic flocculants are known to be ineffective at flocculating algal culture, which was confirmed for this case by electro-osmotic flow testing of …

Cryogenic Processing Of Al 7050-T7451 Alloy For Improved Surface Integrity, Bo Huang

Theses and Dissertations--Mechanical and Aerospace Engineering

Al 7050-T7451 alloy with good combinations of strength, stress corrosion cracking resistance and toughness, is used broadly in the aerospace/aviation industry for fatigue-critical airframe structural components. However, it is also considered as a highly anisotropic alloy as the crack growth behavior along the short transverse direction is very different from the one in the long transverse direction, due to the inhomogeneous microstructure with the elongated grains distributed in the work material used in the sheet/plate applications. Further processes on these materials are needed to improve its mechanical and material properties and broaden its applications.

The material with ultra-fine or nano …

Bioactive Poly(Beta-Amino Ester) Biomaterials For Treatment Of Infection And Oxidative Stress, Andrew L. Lakes

Theses and Dissertations--Chemical and Materials Engineering

Polymers have deep roots as drug delivery tools, and are widely used in clinical to private settings. Currently, however, numerous traditional therapies exist which may be improved through use of polymeric biomaterials. Through our work with infectious and oxidative stress disease prevention and treatment, we aimed to develop application driven, enhanced therapies utilizing new classes of polymers synthesized in-house. Applying biodegradable poly(β-amino ester) (PBAE) polymers, covalent-addition of bioactive substrates to these PBAEs avoided certain pitfalls of free-loaded and non-degradable drug delivery systems. Further, through variation of polymer ingredients and conditions, we were able to tune degradation rates, release profiles, cellular …

Improving The Capacity, Durability And Stability Of Lithium-Ion Batteries By Interphase Engineering, Qinglin Zhang

Theses and Dissertations--Chemical and Materials Engineering

This dissertation is focus on the study of solid-electrolyte interphases (SEIs) on advanced lithium ion battery (LIB) anodes. The purposes of this dissertation are to a) develop a methodology to study the properties of SEIs; and b) provide guidelines for designing engineered SEIs. The general knowledge gained through this research will be beneficial for the entire battery research community.

Three-Dimensional Microstructural Effects On Multi-Site Fatigue Crack Nucleation Behaviors Of High Strength Aluminum Alloys, Yan Jin

Theses and Dissertations--Chemical and Materials Engineering

An experimental method was further developed to quantify the anisotropy of multi-site fatigue crack initiation behaviors in high strength Al alloys by four-point bend fatigue testing under stress control. In this method, fatigue crack initiation sites (fatigue weak-links, FWLs) were measured on the sample surface at different cyclic stress levels. The FWL density in an alloy could be best described using a three-parameter Weibull function of stress, though other types of sigmoidal functions might also be used to quantify the relationship between FWL density and stress. The strength distribution of the FWLs was derived from the Weibull function determined by …

Understanding Electrical Conduction In Lithium Ion Batteries Through Multi-Scale Modeling, Jie Pan

Theses and Dissertations--Chemical and Materials Engineering

Silicon (Si) has been considered as a promising negative electrode material for lithium ion batteries (LIBs) because of its high theoretical capacity, low discharge voltage, and low cost. However, the utilization of Si electrode has been hampered by problems such as slow ionic transport, large stress/strain generation, and unstable solid electrolyte interphase (SEI). These problems severely influence the performance and cycle life of Si electrodes. In general, ionic conduction determines the rate performance of the electrode, while electron leakage through the SEI causes electrolyte decomposition and, thus, causes capacity loss. The goal of this thesis research is to design Si …

Synthesis Of Titania Thin Films With Controlled Mesopore Orientation: Nanostructure For Energy Conversion And Storage, Suraj R. Nagpure

Theses and Dissertations--Chemical and Materials Engineering

This dissertation addresses the synthesis mechanism of mesoporous titania thin films with 2D Hexagonal Close Packed (HCP) cylindrical nanopores by an evaporation-induced self-assembly (EISA) method with Pluronic surfactants P123 and F127 as structure directing agents, and their applications in photovoltaics and lithium ion batteries. To provide orthogonal alignment of the pores, surface modification of substrates with crosslinked surfactant has been used to provide a chemically neutral surface. GISAXS studies show not only that aging at 4°C facilitates ordered mesostructure development, but also that aging at this temperature helps to provide orthogonal orientation of the cylindrical micelles which assemble into an …

Three-Dimensional Microstructure-Based Models For Fatigue Crack Nucleation And Fatigue Crack Branching In High Strength Al Alloys, Lin Yang

Theses and Dissertations--Chemical and Materials Engineering

This study is concerned with using numerical three-dimensional microstructure-based models to quantify the multi-site fatigue crack initiation behaviors by simulating the effects of pores in a cast aluminum alloy, and to analyze the mechanism of fatigue crack branching in thick aluminum alloy plates. It has been recently recognized the three-dimensional effects of pores on fatigue crack initiation, which provide opportunity to quantitatively identify the fatigue weak-link density and strength distribution in aluminum alloy. The stress and strain fields around a micro-pore in an A713 aluminum alloy (an elasto-plastic media) under cyclic loading were quantified as a function of pore position …

Lnvestigation Of The Critical Role Of Polymeric Binders For Silicon Negative Electrodes In Lithium-Lon Batteries, Jiagang Xu

Theses and Dissertations--Chemical and Materials Engineering

Silicon is capable of delivering a high theoretical specific capacity of 3579 mAh g^-1, which is about 10 times higher than that of the state-of-the-art graphite-based negative electrodes for lithium-ion batteries (LIBs). However, the poor cycle life of silicon electrodes, caused by the large volumetric strain during cycling, limits the commercialization of silicon electrodes. As one of the essential components, the polymeric binder is critical to the performance and durability of lithium-ion batteries as it keeps the integrity of electrodes, maintains conductive path and must be stable in the electrolyte. The guideline for binder selection of silicon electrodes …

First-Principles Studies Of Structure-Property Relationships: Enabling Design Of Functional Materials, Qunfei Zhou

Theses and Dissertations--Chemical and Materials Engineering

First-principles calculations based on quantum mechanics have been proved to be powerful for accurately regenerating experimental results, uncovering underlying myths of experimental phenomena, and accelerating the design of innovative materials. This work has been motivated by the demand to design next-generation thermionic emitting cathodes and techniques to allow for synthesis of photo-responsive polymers on complex surfaces with controlled thickness and patterns. For Os-coated tungsten thermionic dispenser cathodes, we used first-principles methods to explore the bulk and surface properties of W-Os alloys in order to explain the previously observed experimental phenomena that thermionic emission varies significantly with W-Os alloy composition. Meanwhile, …

High Capacity Silicon Electrodes With Nafion As Binders For Lithium-Ion Batteries, Jiagang Xu, Qinglin Zhang, Yang-Tse Cheng

Chemical and Materials Engineering Faculty Publications

Silicon is capable of delivering a high theoretical specific capacity of 3579 mAh g⁻¹ which is about 10 times higher than that of the state-of-the-art graphite based negative electrodes for lithium-ion batteries. However, the poor cycle life of silicon electrodes, caused by the large volumetric strain during cycling, limits the commercialization of silicon electrodes. As one of the essential components, the polymeric binder is critical to the performance and durability of lithium-ion batteries as it keeps the integrity of electrodes, maintains conductive path and must be stable in the electrolyte. In this work, we demonstrate that electrodes consisting of …

Chemical Processing Cell With Nanostructured Membranes, Dibakar Bhattacharyya, Scott R. Lewis, Saurav Datta

Chemical and Materials Engineering Faculty Patents

A chemical processing cell includes an upstream membrane and a downstream membrane. The upstream membrane generates a first reaction product. The downstream membrane converts the first reaction product to a second reaction product.

Electrode Kinetics Of Vanadium Flow Batteries: Contrasting Responses Of VIi-VIii And VIv-VV To Electrochemical Pretreatment Of Carbon, A. Bourke, M. A. Miller, R. P. Lynch, Xin Gao, James Landon, J. S. Wainright, R. F. Savinell, D. N. Buckley

Center for Applied Energy Research Faculty and Staff Publications

Electrochemical impedance spectroscopy and cyclic voltammetry were used to investigate the electrode kinetics of V^II-V^III and V^IV-V^V in H₂SO₄ on glassy carbon, carbon paper, carbon xerogel, and carbon fibers. It was shown that, for all carbon materials investigated, the kinetics of V^II-V^III is enhanced by anodic, and inhibited by cathodic, treatment of the electrode; in contrast, the kinetics of V^IV-V^V is inhibited by anodic, and enhanced by cathodic, treatment. The potential region for each of these effects varied only slightly with carbon material. Rate constants …

Structural And Functional Characterization Of A Lytic Polysaccharide Monooxygenase With Broad Substrate Specificity, Anna S. Borisova, Trine Isaksen, Maria Dimarogona, Abhishek A. Kognole, Geir Mathiesen, Anikó Várnai, Åsmund K. Røhr, Christina M. Payne, Morten Sørlie, Mats Sandgren, Vincent G. H. Eijsink

Chemical and Materials Engineering Faculty Publications

The recently discovered lytic polysaccharide monooxygenases (LPMOs) carry out oxidative cleavage of polysaccharides and are of major importance for efficient processing of biomass. NcLPMO9C from Neurospora crassa acts both on cellulose and on non-cellulose β-glucans, including cellodextrins and xyloglucan. The crystal structure of the catalytic domain of NcLPMO9C revealed an extended, highly polar substrate-binding surface well suited to interact with a variety of sugar substrates. The ability of NcLPMO9C to act on soluble substrates was exploited to study enzyme-substrate interactions. EPR studies demonstrated that the Cu²⁺ center environment is altered upon substrate binding, whereas isothermal titration …

Electrode Side Reactions, Capacity Loss And Mechanical Degradation In Lithium-Ion Batteries, Jiagang Xu, Rutooj D. Deshpande, Jie Pan, Yang-Tse Cheng, Vincent S. Battaglia

Chemical and Materials Engineering Faculty Publications

For advancing lithium-ion battery (LIB) technologies, a detailed understanding of battery degradation mechanisms is important. In this article, experimental observations are provided to elucidate the relation between side reactions, mechanical degradation, and capacity loss in LIBs. Graphite/Li(Ni_1/3Mn_1/3Co_1/3)O₂ cells of two very different initial anode/cathode capacity ratios (R, both R > 1) are assembled to investigate the electrochemical behavior. The initial charge capacity of the cathode is observed to be affected by the anode loading, indicating that the electrolyte reactions on the anode affect the electrolyte reactions on the cathode. Additionally, the rate of “marching” …

A Quantitative Perspective On Surface Marker Selection For The Isolation Of Functional Tumor Cells, Calvin F. Cahall, Jacob L. Lilly, Edward A. Hirschowitz, Brad J. Berron

Chemical and Materials Engineering Faculty Publications

Much effort has gone into developing fluid biopsies of patient peripheral blood for the monitoring of metastatic cancers. One common approach is to isolate and analyze tumor cells in the peripheral blood. Widespread clinical implementation of this approach has been hindered by the current choice of targeting epithelial markers known to be highly variable in primary tumor sites. Here, we review current antigen-based tumor cell isolation strategies and offer biological context for commonly studied cancer surface markers. Expression levels of the most common markers are quantitated for three breast cancer and two non-small cell lung cancer (NSCLC) lineage models. These …

General Method To Predict Voltage-Dependent Ionic Conduction In A Solid Electrolyte Coating On Electrodes, Jie Pan, Yang-Tse Cheng, Yue Qi

Chemical and Materials Engineering Faculty Publications

Understanding the ionic conduction in solid electrolytes in contact with electrodes is vitally important to many applications, such as lithium ion batteries. The problem is complex because both the internal properties of the materials (e.g., electronic structure) and the characteristics of the externally contacting phases (e.g., voltage of the electrode) affect defect formation and transport. In this paper, we developed a method based on density functional theory to study the physics of defects in a solid electrolyte in equilibrium with an external environment. This method was then applied to predict the ionic conduction in lithium fluoride (LiF), in contact with …

Composition And Work Function Relationship In Os–Ru–W Ternary Alloys, Phillip D. Swartzentruber, Michael J. Detisch, Thomas John Balk

Chemical and Materials Engineering Faculty Publications

Os–Ru thin films with varying concentrations of W were sputter deposited in order to investigate their structure–property relationships. The films were analyzed with x-ray diffraction to investigate their crystal structures, and a Kelvin probe to investigate their work functions. An Os–Ru–W film with ∼30 at. % W yielded a work function maximum of approximately 5.38 eV. These results align well with other studies that found work function minima from thermionic emission data on M-type cathodes with varying amounts of W in the coatings. Furthermore, the results are consistent with other work explaining energy-level alignment and charge transfer of molecules on …

Temperature Dependence Of Anisotropic Magnetoresistance In Antiferromagnetic Sr2Iro4, C. Wang, H. Seinige, Gang Cao, J.-S. Zhou, J. B. Goodenough, M. Tsoi

Center for Advanced Materials Faculty Publications

Temperature-dependent magnetotransport properties of the antiferromagnetic semiconductor Sr₂IrO₄ are investigated with point-contact devices. The point-contact technique allows to probe very small volumes and, therefore, to look for electronic transport on a microscopic scale. Point-contact measurements with single crystals of Sr₂IrO₄ were intended to see whether the additional local resistance associated with a small contact area between a sharpened Cu tip and the antiferromagnet shows magnetoresistance (MR) such as that seen in bulk crystals. Point-contact measurements at liquid nitrogen temperature revealed large MRs (up to 28%) for modest magnetic fields (250 mT) applied within an …

Cytotoxic Activity Of Triazole-Containing Alkyl Ss-D-Glucopyranosides On A Human T-Cell Leukemia Cell Line, Edward Davis Oldham, Larissa M. Nunes, Armando Varela-Ramirez, Stephen E. Rankin, Barbara L. Knutson, Renato J. Aguilera, Hans-Joachim Lehmler

Chemical and Materials Engineering Faculty Publications

BACKGROUND: Simple glycoside surfactants represent a class of chemicals that are produced from renewable raw materials. They are considered to be environmentally safe and, therefore, are increasingly used as pharmaceuticals, detergents, and personal care products. Although they display low to moderate toxicity in cells in culture, the underlying mechanisms of surfactant-mediated cytotoxicity are poorly investigated.

RESULTS: We synthesized a series of triazole-linked (fluoro)alkyl β-glucopyranosides using the copper-catalyzed azide-alkyne reaction, one of many popular "click" reactions that enable efficient preparation of structurally diverse compounds, and investigate the toxicity of this novel class of surfactant in the Jurkat cell line. Similar to …

Biomimetic Oral Mucin From Polymer Micelle Networks, Sundar Prasanth Authimoolam

Theses and Dissertations--Chemical and Materials Engineering

Mucin networks are formed by the complexation of bottlebrush-like mucin glycoprotein with other small molecule glycoproteins. These glycoproteins create nanoscale strands that then arrange into a nanoporous mesh. These networks play an important role in ensuring surface hydration, lubricity and barrier protection. In order to understand the functional behavior in mucin networks, it is important to decouple their chemical and physical effects responsible for generating the fundamental property-function relationship. To achieve this goal, we propose to develop a synthetic biomimetic mucin using a layer-by-layer (LBL) deposition approach. In this work, a hierarchical 3-dimensional structures resembling natural mucin networks was generated …

Sustainable Disposal Of Coal Processing Waste Streams, Mohammad Rezaee

Theses and Dissertations--Mining Engineering

Modern coal preparation facilities incorporate a wide array of solid-solid and solid-liquid separation processes for rejecting mineral matter to meet market specifications. The coarse mineral matter is typically placed into engineered refuse piles whereas the fine refuse is either stored in impoundments or co-disposed with the coarse refuse. The discharge water from the refuse material represents an environmental concern due to the potential release of trace elements, and the subsequent elevation of total dissolved solids and conductivity. The research findings reported in this dissertation addresses sustainable coal processing waste disposal through using strategies aimed at minimizing the environmental impacts. To …

Influence Of Calcium Sulfoaluminate Cement On The Pullout Performance Of Reinforcing Fibers: An Evaluation Of The Micro-Mechanical Behavior, Robert B. Jewell

Theses and Dissertations--Civil Engineering

The objective of this research was to determine the influence of calcium sulfoaluminate (CSA) cement on reinforcing fibers by evaluating the fiber pullout behavior, and bonding characteristics, of a single fiber embedded in a cementitious paste matrix. Four types of fibers commonly used in industry were evaluated: 1) Polyvinyl alcohol; 2) Polypropylene; 3) Coated Steel; and 4) Plain Steel.

Upward trends in energy costs and potential greenhouse gas regulations favor an increased use of construction materials that require lower energy and lower CO₂ emissions to fabricate, such as CSA cement, as opposed to the production of ordinary portland cement …

Effects Of Magnetic Field On The Shape Memory Behavior Of Single And Polycrystalline Magnetic Shape Memory Alloys, Ali S. Turabi

Theses and Dissertations--Mechanical and Aerospace Engineering

Magnetic Shape Memory Alloys (MSMAs) have the unique ability to change their shape within a magnetic field, or in the presence of stress and a change in temperature. MSMAs have been widely investigated in the past decade due to their ability to demonstrate large magnetic field induced strain and higher frequency response than conventional shape memory alloys (SMAs). NiMn-based alloys are the workhorse of metamagnetic shape memory alloys since they are able to exhibit magnetic field induced phase transformation. In these alloys, martensite and austenite phases have different magnetization behavior, such as the parent phase can be ferromagnetic and martensite …

Shape Memory Behavior Of Single Crystal And Polycrystalline Ni-Rich Nitihf High Temperature Shape Memory Alloys, Sayed M. Saghaian

Theses and Dissertations--Mechanical and Aerospace Engineering

NiTiHf shape memory alloys have been receiving considerable attention for high temperature and high strength applications since they could have transformation temperatures above 100 °C, shape memory effect under high stress (above 500 MPa) and superelasticity at high temperatures. Moreover, their shape memory properties can be tailored by microstructural engineering. However, NiTiHf alloys have some drawbacks such as low ductility and high work hardening in stress induced martensite transformation region. In order to overcome these limitations, studies have been focused on microstructural engineering by aging, alloying and processing.

Shape memory properties and microstructure of four Ni-rich NiTiHf alloys (Ni50.3Ti29.7Hf20, Ni50.7Ti29.3Hf20, …