Materials Science and Engineering Commons^™

Structure And Property Of Polymers And Biopolymers From Molecular Dynamic Simulations, Xiaoquan Sun

Graduate Theses and Dissertations

Natural and synthetic polymers and biopolymers have been studied for a variety of applications in food emulsion, biopharmaceutical purification, tissue engineering, and biosensor. The structure and property of polymers and biopolymers are critically important to determine their functions. Molecular dynamics (MD) simulations have a unique advantage to explore the structure and property of polymers and biopolymers from the molecular level. In the dissertation, MD simulations were conducted to study the mechanisms of various biological and chemical processes controlled by polymers and biopolymers based on real-world experimental results.

Seven heptapeptides have been screened from a peptide library in our earlier study …

Phase Transitions In Monochalcogenide Monolayers, Mehrshad Mehboudi

Graduate Theses and Dissertations

Since discovery of graphene in 2004 as a truly one-atom-thick material with extraordinary mechanical and electronic properties, researchers successfully predicted and synthesized many other two-dimensional materials such as transition metal dichalcogenides (TMDCs) and monochalcogenide monolayers (MMs). Graphene has a non-degenerate structural ground state that is key to its stability at room temperature. However, group IV monochalcogenides such as monolayers of SnSe, and GeSe have a fourfold degenerate ground state. This degeneracy in ground state can lead to structural instability, disorder, and phase transition in finite temperature. The energy that is required to overcome from one degenerate ground state to another …

The Incorporation Of Graphene To Lithium Cobalt Oxide As A Cathode To Improve The Performance Of Lithium Ion Batteries, Kenan Wang

Graduate Theses and Dissertations

One of the objectives of this thesis work was to investigate the cathode performance of lithium cobalt oxide (LiCoO2) incorporated with graphene powder in lithium ion batteries (LIBs). Graphene powder was incorporated into cathode materials to enhance the performance of LIBs. The other objective was to impede the construction of a solid electrolyte interphase (SEI) sheet using graphene sheet coating on its cathode.

The results of this work show that adding graphene powder improved the performance of LiCoO¬2 as a cathode material. With the incorporation of different weight percentages of graphene powder, the LiBs showed distinct changes in their charging …

Self-Assembled Barium Titanate Nanoscale Films By Molecular Beam Epitaxy, Timothy Allen Morgan

Graduate Theses and Dissertations

One challenge of investigating ferroelectrics at the nanoscale has been controlling the stoichiometry during growth. Historically, the growth of barium titanate (BaTiO3) by molecular beam epitaxy has relied on a growth technique called shuttered RHEED. Shuttered RHEED controls the stoichiometry of barium titanate through the precise deposition of alternating layers of BaO and TiO2. While this approach has achieved 1% control of stoichiometry, finding self-limiting mechanisms to lock-in stoichiometry has been the focus of the growth community. The Goldschmidt tolerance factor predicts an unstable perovskite when barium sits in the titanium lattice site. The BaO-TiO2 phase diagram predicts a low-solubility …

Characterization And Selection Of Hydroxyl-Terminated Polybutadiene Polymers For High-Strain Applications, Nathaniel Prine

Honors Theses

Understanding the behavior of hydroxyl-terminated polybutadiene (HTPB) as a composite matrix is imperative for the development of future military and aerospace munition technology. As a vital component of solid rocket fuel, HTPB strongly contributes to the fatigue behavior, burn-rate, and other properties that can cause critical failure of the rocket if not formulated properly. The purpose of this research is to identify traits characteristic of poor-performing HTPB matrices by analyzing two samples labeled as either “good” or “bad” based on their performance as a fuel matrix. Samples were analyzed via 1H NMR and GPC to determine their epoxy content, hydroxyl …

Thiol–Ene Photopolymerization: A Simple Route To Pro-Antimicrobial Networks Via Degradable Acetals (Pandas), William Martin

Honors Theses

The World Health Organization (WHO) has brought the growing epidemic of antibiotic resistance bacteria to the attention of the public and has expressed the need for the development of new methods of defense. In this direction, bioactive aldehyde essential oils have been shown to effectively act as antibiotic and antifungal agents. These bioactive compounds, when used in their pure form, are volatile and lack environmental stability. In this thesis, we describe the synthesis of pro-antimicrobial networks via degradable acetals (PANDAs) using thiol-ene photopolymerization. PANDAs were used as a new model for the high loading and release of bioactive aldehyde-containing compounds …

Corner Sealants For Tactical Shelters, Janine Carlita Nowak

Honors Theses

The demand for a lightweight, easy-assembly tactical shelter is high for those faced with unexpected disasters and global conflicts. This project focuses on designing and prototyping the corner sealant for such a shelter. Two materials were chosen and tested: an in-house thermoplastic polyurethane (TPU) and Texin 950. Thermogravimetric Analysis (TGA) was performed on both of these materials. The in-house TPU showed initial degradation at 282.50 °C and sample degradation at 457.45 °C. Similarly, Texin 950 showed initial degradation at 293.68 °C and sample degradation at 453.26 °C. Differential Scanning Calorimetry (DSC) was then run. The crystallization temperature (Tc) was observed …

Redshirt In Engineering: A Model For Improving Equity And Inclusion, Donna C. Llewellyn, Ann Delaney, Janet Callahan

Materials Science and Engineering Faculty Publications and Presentations

The NSF-funded Redshirt in Engineering Consortium was formed in 2016 with the goal of enhancing the ability of academically talented but underprepared students coming from low-income backgrounds to successfully graduate with engineering degrees. The Consortium takes its name from the practice of redshirting in college athletics, with the idea of providing an extra year and support to help promising engineering students complete a bachelor’s degree. The Consortium builds on the success of three existing “academic redshirt” programs and expands the model to three new schools. The Existing Redshirt Institutions (ERIs) help mentor and train the new Student Success Partners (SSP), …

Preparations And Corrosion Protection Investigations Of Diethylene Triamine Penta(Methylene Phosphonic Acid)-Zn2+ Conversion Coatings On Cold Rolled Steel Substrates, Wei He, Ru Yan, Ying-Qi Wang, Xiang Gao, Hou-Yi Ma

Journal of Electrochemistry

Novel diethylene triamine penta(methylene phosphonic acid) (DTPMPA)-zinc ion (Zn²⁺) conversion coatings with uniform blue color and excellent corrosion protection were directly formed on the cold rolled steel (CRS) substrates by immersing a CRS plate into the film-forming solutions containing the appropriate concentrations of DTPMPA and Zn²⁺ ion at the proper pH. In this paper, surface morphologies and elemental compositions of DTPMPA-Zn²⁺ conversion coatings were characterized by SEM and EDS, respectivey. The surface functional groups, chemical constituents and binding modes to the substrates were investigated by means of FTIR and XPS methods. The influences of DTPMPA concentrations …

Effects Of Rotating Magnetic Fields On Pem Fuel Cell Performance, Mao-Liang Wu, En-Ze Wang, Guang-De Pan, Zhong-Jun Liu, Fei Xie

Journal of Electrochemistry

Proton Exchange Membrane (PEM) fuel cell performance may be improved by application of additional magnetic fields. In this work, one square permanent magnet, made of either 16 combination cylinder magnets with homopolarity or 16 combination cylinder magnets with heteropolarity, was exerted on the fuel cell surface to produce additional magnetic field affecting PEM fuel cell performance. The influences of magnetic field status (rotating, static and none) on polarization and power density curves measured in a PEM fuel cell were investigated. The results verified the benefit of magnetic field, proving that the magnetic field distribution could improve the fuel cell output. …

Preparation Of Ni(Dpim)2Cl2 Complex For The Electrocatalytic Reduction Of Co2, Li-Pu Zhang, Dong-Fang Niu, Xin-Sheng Zhang

Journal of Electrochemistry

A new Ni(dpim)₂Cl₂complex using 2-(diphenylphosphino)-1-methylimidazole (dpim) as ligand was prepared and served as a catalyst for the electrochemical reduction of CO₂. The electrochemical redox behavior of Ni(dpim)₂Cl₂ in CH₃CN/TPABF₄ solution under nitrogen atmosphere showed the two-electron irreversible reduction at -0.7 V and one-electron quasi-reversible reduction at -1.3 V. After bubbling CO₂ into the electrolyte, the reduction peak appeared at -1.3 V became irreversible and the peak current increased from 0.48 mA·cm^-2 to 0.55 mA·cm^-2. Moreover, the peak current at -1.3 V could further increase …

Preparation Of Co3O4/Ti Electrocatalytic Membrane Electrode For Catalytic Oxidation Of Benzyl Alcohol, Yu-Mei Zheng, Zhen Yin, Hong Wang, Jian-Xin Li

Journal of Electrochemistry

The cobalt oxide(Co₃O₄) nanoparticles were loaded on microporous Ti membrane to prepare Co₃O₄/Ti electrocatalytic membrane electrode by dip-coating method. The microstructures and electrochemical properties of Co₃O₄/Ti electrocatalytic membrane were investigated. The Co₃O₄/Ti electrocatalytic membrane reactor (ECMR) assembled by using the Co₃O₄/Ti electrocatalytic membrane as an anode was adopted for catalytic oxidation of benzyl alcohol to produce benzaldehyde and benzoic acid.The effects of different operation parameters on benzyl alcohol conversion, and selectivity to benzaldehyde and benzoic acid of ECMR were studied. …

Interaction Between Energy And Electrocatalysis —— A Review On The 1st Young Scientist Forum On Energy Electrocatalysis, Hong Li, Wen-Bin Cai

Journal of Electrochemistry

No abstract provided.

Preparation And Properties Of Manganese Oxide And Polyaniline-Carbon Composite Electrode, Tian-Tian Zhou, Bing Wu, Chao Deng, Ying Gao

Journal of Electrochemistry

The polyaniline-carbon (PAnC) electrode was prepared by the polymerization of aniline monomer and activated carbon in ice water bath, and followed by chemical deposition of manganese dioxide MnO₂-PAnC composite material. The specific capacitance of MnO₂-PAnC reached 459 F•g^-1. The cyclic voltammetric results showed a small deformation in the voltammogram curve obtained with the MnO₂-PAnC electrode at high scan rate, indicating good reversibility and capacitive properties. The AC impedance results revealed that the MnO₂-PAnC electrode displayed the smallest charge transfer resistance and the fastest diffusion
rate of surface ions than other …

Simulation Analysis In Dynamic Performance Of Proton Exchange Membrane Fuel Cell Under Starting Condition, Yan Xiao, Ying-Jie Chang, Wei Zhang, Qiu-Hong Jia

Journal of Electrochemistry

Based on the equivalent circuit model, by considering both the dynamic gas pressure model and the dynamic heat transfer model, a lumped parameter model is developed. The start process of the fuel cell is simulated by using SIMULINK software. The undershoot of the voltage is observed from the simulation results, and the response time of the voltage is basically the same as that of the fuel cell temperature, which indicates that the temperature has great influence on the dynamic performance of the fuel cell. From the perspective of the temperature, the dynamic responses of the thermodynamic potential, the activation overvoltage, …

Electrochemical Oxidation Of P-Chlorophenol On Porous Ti/Bdd Electrode Cooperated With Cathode Dechlorination, Rong-Ling Chen, Wei-Min Huang, Ya-Peng He, Jun Shi, Hai-Bo Lin

Journal of Electrochemistry

The electrochemical oxidation of p-chlorophenol on porous Ti/BDD electrode cooperated with synergistic effect of cathode dechlorination was studied. Electrochemical degradation tests of p-chlorophenol were conducted in single and double compartment electrolytic cells separately, and the results showed that the mineralization happened mainly in the anode region. The product of chloride ions produced from the cathodic reduction of 4-chlorophenol in the single cell migrated to the anode region and further generated active chlorine toward electro-catalytic oxidation. At the same time, the chloride ion produced from the cathode of the double cell was difficult to be migrated to the anode region, which …

Electrochemical Performance Of Moo2-C Composite Coatings, Quan-Yi Li, Qi Yang, Yan-Hong Zhao

Journal of Electrochemistry

The molybdenum dioxide-carbon(MoO₂-C)composite coatings on the surface of Cu foils were prepared by simple knife coating route and followed by sintering in vacuum. The morphology, composition, structure and electrochemical performance of the MoO₂-C composite coatings were investigated. The results demonstrated that the MoO₂-C composite coatings consist of MoO₂ nano-particles with monoclinic crystal structure and amorphous carbon. Some MoO₂ nano-particles with a size range of 5-30nm were loaded on the surface of carbon matrices; while some MoO₂ nano-particles with a size of ~5nm were encapsulated inside. The composite coatings showed porous structure …

Synthesis And Electrochemical Properties Of Li3V2(Bo3)3/C Anode Materials For Lithium-Ion Batteries, You Wang, Yi-Wen Zeng, Xing Zhong, Xing Liu, Quan Tang

Journal of Electrochemistry

The Li₃V₂(BO₃)₃/C (LVB/C) composite materials were successfully synthesized in two steps:Firstly, a stoichiomertric mixture of Li₂C₂O₄, V₂O₅, H₃BO₃, H₂C₂O₄•H₂O and ethanol was thoroughly ball-milled to get the precursors. Secondly, the precursors were post-calcinated to get the ultimate products. The calcination temperatures of 750 ℃, 800 ℃ and 850 ℃ were selected based on TG-DTA analyses. The crystal structures, surface morphologies and carbon contents of the samples calcinated at five conditions, …

Multienzyme Immobilized Polymeric Membrane Reactor For The Transformation Of A Lignin Model Compound, Rupam Sarma, Md. Saiful Islam, Mark P. Running, Dibakar Bhattacharyya

Chemical and Materials Engineering Faculty Publications

We have developed an integrated, multienzyme functionalized membrane reactor for bioconversion of a lignin model compound involving enzymatic catalysis. The membrane bioreactors were fabricated through the layer-by-layer assembly approach to immobilize three different enzymes (glucose oxidase, peroxidase and laccase) into pH-responsive membranes. This novel membrane reactor couples the in situ generation of hydrogen peroxide (by glucose oxidase) to oxidative conversion of a lignin model compound, guaiacylglycerol-β-guaiacyl ether (GGE). Preliminary investigation of the efficacy of these functional membranes towards GGE degradation is demonstrated under convective flow mode. Over 90% of the initial feed could be degraded with the multienzyme immobilized membranes …

Uncertainty Evaluation In The Design Of Structural Health Monitoring Systems For Damage Detection, Christine M. Schubert Kabban, Richard P. Uber, Kevin J. Lin, Bin Lin, M. Bhuiyan, Victor Giurgiutiu

Faculty Publications

The validation of structural health monitoring (SHM) systems for aircraft is complicated by the extent and number of factors that the SHM system must demonstrate for robust performance. Therefore, a time- and cost-efficient method for examining all of the sensitive factors must be conducted. In this paper, we demonstrate the utility of using the simulation modeling environment to determine the SHM sensitive factors that must be considered for subsequent experiments, in order to enable the SHM validation. We demonstrate this concept by examining the effect of SHM system configuration and flaw characteristics on the response of a signal from a …

Evolution Of Mg Az31 Twin Activation With Strain: A Machine Learning Study, Andrew D. Orme

Undergraduate Honors Theses

Machine learning is being adopted in various areas of materials science to both create predictive models and to uncover correlations which reveal underlying physics. However, these two aims are often at odds with each other since the resultant predictive models generally become so complex that they can essentially be described as a black box, making them difficult to understand. In this study, complex relationships between microstructure and twin formation in AZ31 magnesium are investigated as a function of increasing strain. Supervised machine learning is employed, in the form of J-48 decision trees. In one approach, strain is incorporated as an …

Dynamic Behavior Of Materials, Jeremy Floyd, Andrew Minor

Research Horizons Day Posters

No abstract provided.

Hawai'i Wildlife Fund V. County Of Maui, Lowell J. Chandler

Public Land & Resources Law Review

In Hawai’i Wildlife Fund v. County of Maui, the Ninth Circuit held that the plain language of the Clean Water Act provides jurisdiction over indirect discharges of pollutants from a point source into groundwater that is shown to be connected to navigable waters. The court found that studies confirmed pollutants entering the Pacific Ocean were fairly traceable to the County of Maui’s sewage disposal wells. In affirming the district court’s ruling, the Ninth Circuit held that Maui County violated the Clean Water Act by discharging pollutants into a navigable water without the required permit. The court also concluded the …

The Application Of The Peleg Model In Order To Obtain Completely Soluble Materials For Food Product Packaging, Roxana Puscaselu (Gheorghita), Sonia Amariei

Journal of Applied Packaging Research

The aim of this study was to create a completely hydrosoluble edible films based on biopolymers that can be used as packaging material for powdered foods.10 edible films were obtained from various mixtures of hydrocolloids (agar, starch, sodium alginate) plasticized with glycerol and water. To assess their solubility, it was used the Peleg model which confirmed that increasing the temperature of the hydration medium, increases the water absorption rate. The sample obtained from agar and starch was less hydrophilic than sample with a high amount of sodium alginate, which was completely soluble after 3 minutes maintenance in 20° water. To …

From Flasks To Applications: Design And Optimization Of Giant Quantum Dots Using Traditional And Automated Synthetic Methods, Christina J. Hanson

Nanoscience and Microsystems ETDs

Semiconducting nanocrystals, also known as quantum dots (QDs), that emit light with near-unity quantum yield and are extremely photostable are attractive options as down-conversion and direct electricity-to-light materials for a variety of applications including solid-state lighting, display technologies, bio-imaging and optical tracking. Standard QDs with a core/thin shell structure display fluorescence intermittency (blinking) and photobleaching when exposed to prolonged room temperature excitation for single dot measurements, as well as significant reabsorption and energy transfer when densely packed into polymers or at high solution concentrations.

We have developed thick shell “giant” QDs (gQDs), ultra-stable photon sources both at the ensemble and …

Nanostructured Materials Derived From Metal-Organic Frameworks For Energy And Environmental Applications, Zhiqiang Xie

LSU Doctoral Dissertations

Nowadays, energy and environmental issues have become the top priority among a series of global issues. Fossil fuels as the dominant source are depleted fast and usually lead to some environmental problems. Heavy metal pollution has posed a severe threat to environment and public health. Metal-organic frameworks (MOFs), as a very promising category of porous materials, have attracted more and more interest in research communities due to their extremely high surface areas, diverse nanostructures and unique properties. To meet the ever-increasing energy demand and tackle the heavy metal pollution in water, MOFs can function as ideal templates to prepare various …

Scalable Patterning Using Laser-Induced Shock Waves, Saidjafarzoda Ilhom, Khomidkhodza Kholikov, Peizhen Li, Claire Ottman, Dylan Sanford, Zachary Thomas, Omer San, Haluk E. Karaca, Ali O. Er

Mechanical Engineering Faculty Publications

An advanced direct imprinting method with low cost, quick, and minimal environmental impact to create a thermally controllable surface pattern using the laser pulses is reported. Patterned microindents were generated on Ni₅₀Ti₅₀ shape memory alloys and aluminum using an Nd: YAG laser operating at 1064 nm combined with a suitable transparent overlay, a sacrificial layer of graphite, and copper grid. Laser pulses at different energy densities, which generate pressure pulses up to a few GPa on the surface, were focused through the confinement medium, ablating the copper grid to create plasma and transferring the grid pattern onto …

Review Of Challenges And Advances In Modification Of Food Package Headspace Gases, Ziynet Boz, Bruce A. Welt, Jeffrey K. Brecht, William Pelletier, Eric Mclamore, Gregory A. Kiker, Jason E. Butler

Journal of Applied Packaging Research

Modified Atmosphere Packaging (MAP) has been widely used as an effective way to preserve foods. Fresh produce, meat and meat products, seafood, and dairy products can benefit from modified gaseous atmospheres, which are usually achieved by reducing oxygen and increasing carbon dioxide concentrations, within limits, defined by product tolerances. MAP of fresh produce is particularly challenging because products are living and respiring. Respiration rates depend on several factors including temperature, oxygen, and carbon dioxide concentrations. Balancing package permeation with respiration is challenging, often due to limited selection of practical packaging materials. Failing to remain within tolerance limits of products leads …

Waste Management By Waste: Removal Of Acid Dyes From Wastewaters Of Textile Coloration Using Fish Scales, S M Fijul Kabir

LSU Master's Theses

Removal of hazardous acid dyes by economical process using low-cost bio-sorbents from wool industry wastewaters is of a pressing need, since it causes skin and respiratory diseases and disrupts other environmental components. Fish scales (FS), a by-product of fish industry, a type of solid waste, are usually discarded carelessly resulting in pungent odor and environmental burden. In this research, the FS of black drum (Pogonias cromis) were used for the removal of acid dyes (acid red 1 (AR1), acid blue 45 (AB45) and acid yellow 127 (AY126)) from wool industry wastewaters by absorption process with a view to …

Efficiency Of Solid Inclusion Removal From The Steel Melt By Ceramic Foam Filter: Design And Experimental Validation, Soumava Chakraborty, Ronald J. O'Malley, Laura Bartlett, Mingzhi Xu

Materials Science and Engineering Faculty Research & Creative Works

An investigation was performed to measure the efficiency of solid alumina inclusion removal by filtration during casting. A mold design was developed using modeling software to produce two castings that fill simultaneously, one with a filter and the other without a filter. The design avoided vortex formation and thus air entrainment, which helped to avoid reoxidation inside the mold cavity. Samples from these castings were analyzed utilizing an SEM/EDS system with automated feature analysis (AFA) to measure the efficiency of inclusion removal using a 20 ppi zirconia foam filter. This study also documents the occurrence of inclusion flotation and agglomeration …