Materials Science and Engineering Commons^™

Routine Million-Particle Simulations Of Epoxy Curing With Dissipative Particle Dynamics, Stephen Thomas, Monet Alberts, Michael M. Henry, Carla E. Estridge, Eric Jankowski

Materials Science and Engineering Faculty Publications and Presentations

Mesoscale simulation techniques have helped to bridge the length scales and time scales needed to predict the microstructures of cured epoxies, but gaps in computational cost and experimental relevance have limited their impact. In this work, we develop an open-source plugin epoxpy for HOOMD-Blue that enables epoxy crosslinking simulations of millions of particles to be routinely performed on a single modern graphics card. We demonstrate the first implementation of custom temperature-time curing profiles with dissipative particle dynamics and show that reaction kinetics depend sensitively on the stochastic bonding rates. We provide guidelines for modeling first-order reaction dynamics in a classic …

Characterization Of 3d Printed Polylactic Acid/ Polycaprolactone/Titanium Dioxide Composites For Bone Replacement And Grafting, Sandra Elena Najera Beltran

Open Access Theses & Dissertations

A material that mimics the properties of bones was developed by optimizing the ratio of polymer composites of polylactic acid (PLA) and poly-ε-caprolactone (PCL), containing small amounts of titanium oxide (TiO2). Although titanium-based alloys have commonly been used for bone replacement procedures due to their biocompatibility with the human body and their mechanical properties, stress shielding continues to be a problem. The structure of a bone has a porosity which permits the flow of nutrients, blood, oxygen and minerals, and is an issue at the time of creating bone replacements using conventional methods. PLA and PCL have been used in …

Synthesis And Characterization Of Glycidyl Methacrylate-Based Graft Copolymer Functional Interfaces, Nikolay Brordinov

All Dissertations

Modification of materials properties such as surface energy, wettability, ability to absorb, contain or release specific type of chemicals enables practical application of these materials in various scientific and engineering set-ups. However, designing protocol that could be easily adapted for different situations and simultaneously unlock multiple variations of the resulting properties is a non-trivial task. This dissertation is devoted to application of glycidyl methacrylate-based graft copolymers for the purposes of surface modification, establishing fundamental trends and dependencies of this process and exploring the possible range of applications. These materials have extremely valuable property to undergo controllable post-synthetic modifications including surface …

Size Scaling Of Strength And Toughness For 3d Printed Polymer Specimens, Darren Thomas Bell

Open Access Theses

To find material systems that offer low density and high strength, stiffness or toughness, hierarchically designed material systems have provided a promising research area. This thesis lays the groundwork for designing efficient micro-architectured material systems by characterizing size effects for 3d printed polymer parts. Two methods were used to analyze data from 3-point bend tests for specimens of varying size: the load-separation method was used for finding the point of crack growth initiation and Bazant’s method was used to find shape independent strength at failure. The strength values were used as inputs for finding size independent material constants within a …

Green Synthesis Nanocomposite Membranes, Dibakar Bhattacharyya, Vasile Smuleac, Rajender S. Varma, Subhas K. Sikdar

Chemical and Materials Engineering Faculty Patents

A nanocomposite membrane includes a macroporous polymer membrane having a plurality of pores. A plurality of metal nanoparticles are synthesized and immobilized within those plurality of pores. The nanoparticles are reduced and capped with a green reducing and capping agent such as green tea extract.

Improving The Mechanical Performance Of 3d Printed Parts Using Fused Filament Fabrication, Inderpreet Binning

Industrial and Manufacturing Engineering

The 3D printing industry has seen rapid growth in the last 10 years and has been called the next industrial revolution. There are several different processes used in 3D printing, but the most popular process is called Fused Filament Fabrication (FFF) or Fused Deposition Modeling (FDM). This is the process where (most commonly) plastic filament enters a nozzle, is heated to a semi-liquid state, and then deposited into a pattern to create a print. One major drawback to this process is that the prints are anisotropic. This means that the strength of the print varies with the orientation that it …

Synthesis Of Acceptors For Use In Donor-Acceptor Copolymers And Characterization Of These Polymers, William D. Walker

Honors Theses

In this thesis, a selenium-derivatized acceptor was synthesized to examine the heavy atom effects of selenium on the position of the frontier molecular orbitals (HOMO/LUMO band gap) as opposed to sulfur in a donor-acceptor copolymer for use in light harvesting and detection applications. Over the course of this research, standard operating protocols for ultraviolet-visible (UV-Vis-NIR) and Fourier transform infrared (FT-IR) spectroscopies, as well as cyclic voltammetry (CV) characterization techniques were established. Once synthesized, the polymers were characterized through use of the established characterization protocols. The selenium-derivatized polymer exhibited a bathochromic shift compared to the sulfur analogue, with a solid-state absorption …

Investigation Of Polyaniline And Its Composites As Interlayers In Organic Solar Cells, Omar Abdulrazzaq Al-Azzawi

Theses and Dissertations

Significant attention has been given during the last few years to overcoming technological and material barriers to the development of organic photovoltaic devices (OPVs) with cost efficiency comparable to that of inorganic photovoltaics (PVs). If OPVs are to become commercially viable, major improvements are necessary. In this work, polyaniline (PANI) protonated with various levels of camphorsulfonic acid (CSA) and dissolved in m-cresol has been used as a hole-transport layer (HTL) in organic bulk-heterojunction solar cells. Polyaniline was first synthesized using oxidative polymerization based on the MacDiarmid method. The polymerization parameters, such as polymerization temperature and polymerization pH control agent, were …

Design Of Multifunctional Composites And Their Use For The 3-D Printing Of Microsystems, Daniel Therriault

Composites at Lake Louise (CALL 2015)

Many of today's high-tech products are approaching their technological limits. For example, the microelectronics community is faced with overheating devices with a demand for compact three-dimensional (3D) architectures and lower power consumption, whereas the aerospace industry is seeking lighter, stiffer and more electrically conductive materials for the creation of more energy efficient aircraft. A promising solution is to capitalize on the amazing electrical, thermal and mechanical properties of some nanoscopic materials (one billionth of a meter). However, several challenges in material processing and manufacturing must be resolved, namely exploiting these properties at the industrial scale and overcoming the current planar …

Measuring Polydimethylsiloxane (Pdms) Mechanical Properties Using Flat Punch Nanoindentation Focusing On Obtaining Full Contact, Federico De Paoli

USF Tampa Graduate Theses and Dissertations

In this research, the materials used were the Polydimethylsiloxane (PDMS) polymers. PDMS mechanicals properties were measured using a customized version of the nanoindentation test using a flat punch tip. The method is proposed in Chapter 3 and it is used to calculate the elastic modulus of different PDMS samples. The samples tested were both produced specifically for this research and available in the laboratory’s storage. They all present different levels of cross-linking degree.

It is quite common to not have full contact between the cylindrical flat punch and the sample because of the unavoidable tilt. The new method guarantees establishing …

Thermal And Mechanical Properties Of Polymers Using Molecular Dynamics, Daniel Glass, Alejandro Strachan, Lorena Alzate-Vargas, Chunyu Li, Benjamin Haley

The Summer Undergraduate Research Fellowship (SURF) Symposium

Polymer systems have gained attention during the past years because of their technological and industrial applications. Simulations, particularly molecular dynamics, are very useful for exploring properties of amorphous polymers, without using experiments. Our goal is to create a readily-available tool that will perform MD simulations in order to get thermal and mechanical properties (Glass transition temperature, Young Modulus) of the polymers. The work that has been done will be part of a tool to help people to learn about polymer properties including Glass Transition Temperature. We model some polymers at a scale of 10,000 atoms. The tool uses LAMMPS to …

Electrospinning Of Polycaprolactone Core-Shell Nanofibers With Anti-Cancer Drug, Sakib Iqbal, Mujibur Khan, Saheem Absar, Andrew Diamanduros, Samuel Chambers

GS4 Student Scholars Symposium

Encapsulation of a model anti-cancer drug, 5-Fluorouracul (5-FU) into biocompatible core-shell nanofibers of polycaprolactone (PCL) nanofibers was fabricated using a coaxial electrospinning process. Our work aims to solve these issues using a novel method of fabrication of fibers featuring confinement of drugs within a biodegradable core-shell structure, thereby permitting sustained release of drugs to specific sites of treatment, such as tissues affected with tumor cells. The coaxial electrospinning was performed using a sheath polymer solution consisting of a 14 wt% PCL solution and a 5 wt% solution of 5-FU as the core solution. Dimethylformamide (DMF) was used as the solvent …

Design And Synthesis Of Low-Bandgap Polymers For Organic Photovoltaic Applications, Letian Dou

Link Foundation Energy Fellowship Reports

This research at UCLA focused on the design and synthesis of novel conjugated polymers as the electron-donor material for photovoltaic devices. By careful molecular design both on the polymer backbone and the side chains, a series of low-bandgap conjugated polymers were synthesized for a variety of photovoltaic applications, including single junction and tandem polymer solar cells. In addition, the author designed and synthesized a novel higly perfect polymer single crystal material via a visible light triggered topochemical reaction. This kind of materials shows high potential for application in solar cells and transistors, which, the author believe, is a huge breakthrough …

Evaporation-Induced Formation Of Well-Ordered Surface Patterns On Polymer Films, Wei Sun

Theses and Dissertations--Chemical and Materials Engineering

Various techniques of fabricating surface patterns of small scales have been widely studied due to the potential applications of surface patterns in a variety of areas. It is a challenge to fabricate well-ordered surface area efficiently and economically. Evaporation-induced surface patterning is a promising approach to fabricate well-ordered surface patterns over a large area at low cost. In this study, the evaporation-induced surface patterns with controllable geometrical characteristics have been constructed. The dewetting kinetics on deformable substrate is also investigated.

Using simple templates to control the geometry and the evaporation behavior of a droplet of volatile solvent, various gradient surface …

Synthesis And Characterization Of Chemically Functionalized Shape Memory Nanofoams For Unattended Sensing Applications, Anna Paola Soliani

All Dissertations

The work in this dissertation is devoted to the synthesis and characterization of novel materials for off-line unattended sensing: shape-memory grafted nanofoams. The fabrication process and characterization of highly efficient, polymeric nanosensor element with the ability to selectively detect analytes and retain memory of specific exposure events is reported. These shape memory nanofoams could potentially act as efficient and highly sensitive coatings for evanescent waveguide-based optical monitoring systems. On exposure to specific analytes, the polymeric coatings locally change their internal structure irreversibly at the nanolevel, affecting the local optical properties such as refractive index. Currently, enrichment polymer layers (EPLs) are …

Wear Resistant Polydopamine/Ptfe Nanoparticle Composite Coating For Dry Lubrication Applications, Samuel George Beckford

Graduate Theses and Dissertations

This dissertation presents an investigation into the effect of nanoparticle fillers and a polydopamine adhesive primer on the tribological performance of thin PTFE films. The principal objective of this investigation was to reduce wear in PTFE films, an issue which precludes the use of PTFE films in tribological applications requiring high durability. The friction and wear of the composite films were evaluated using a ball-on-flat configuration in linear reciprocating motion. It was found that the use of a polydopamine adhesive primer reduces the wear of PTFE films more than 600 times. X-ray photoelectron spectroscopy (XPS) results show that a tenacious …

Surgical Adhesive From Mussel Mimetic Polymer, Jenna Desousa, Cori Jenkins, Jonathan Wilker

The Summer Undergraduate Research Fellowship (SURF) Symposium

Injuries involving damaged tissues are currently repaired through an invasive technique involving the use of screws, plates and sutures as support, which can damage these tissues. The biomedical field currently lacks an adhesive that can replace harmful implants. A surgical adhesive can provide a quick and easy alternative, which will minimize the risk of damaging healthy tissue in surgery. Inspiration for such materials can be found by looking at marine mussels as they are able to stick to nearly any surface, even in wet environments. Marine mussels affix themselves to different surfaces using adhesive plaques consisting of various proteins. Polymer …

Rheo-Piv Investigation Of Fracture And Self-Healing In A Triblock Copolymer Gel, Benjamin A. Helfrecht, Travis L. Thornell, Kendra A. Erk

The Summer Undergraduate Research Fellowship (SURF) Symposium

Physically associating polymer gels have shown the ability to heal after failure, making them promising candidates for various medical applications or consumer products. However, the processes by which these materials self-heal is not well-understood. This study seeks to explain the self-healing behavior of the triblock copolymer poly(methyl methacrylate)-poly(n-butyl acrylate)-poly(methyl methacrylate), or PMMA-PnBA-PMMA, by probing the material’s post-fracture behavior with rheometry and particle image velocimetry (PIV). The self-healing behavior was studied by deforming each gel in shear until failure multiple times with “recovery” periods in-between. PIV was used to verify the occurrence of each fracture in both time and space. Stress …

A Soft Condensed Matter Approach Towards Mathematical Modelling Of Mass Transport And Swelling In Food Grains, Michael Chapwanya, N. Misra

Articles

Soft condensed matter (SCM) physics has recently gained importance for a large class of engineering materials. The treatment of food materials from a soft matter perspective, however, is only at the surface and is gaining importance for understanding the complex phenomena and structure of foods. In this work, we present a theoretical treatment of navy beans from a SCM perspective to describe the hydration kinetics. We solve the transport equations within a porous matrix and employ the Flory–Huggin’s equation for polymer–solvent mixture to balance the osmotic pressure. The swelling of the legume seed is modelled as a moving boundary with …

An Investigation Into The Properties And Fabrication Methods Of Thermoplastic Composites, Ann E. Livingston-Peters

Master's Theses

As applications for thermoplastic composites increase, the understanding of their properties become more important. Fabrication methods for thermoplastic composites continually improve to match designs specifications. These advanced thermoplastics have begun to show an improvement in mechanical properties over those found in thermoset composites commonly used in industry. Polyaryletherketones (PEK) have high service temperatures, good mechanical properties, and improved processing capabilities compared to thermoplastics used in the past making them important to the aerospace industry. The wide range of types of PEK make them suitable for a variety of applications, but selection of specific chemistries, processing parameters, and composite stack-ups determine …

Stress Corrosion Cracking In Polymer Matrix Glass Fiber Composites, Jonathan Kosak

Electronic Theses and Dissertations

With the use of Polymer Matrix Glass Fiber Composites ever expanding, understanding conditions that lead to failure before expected service life is of increasing importance. Stress Corrosion Cracking (SCC) has proven to be one such example of conditions found in use in high voltage transmission line applications that leads to brittle fracture of polymer matrix composites.

SCC has been proven to be the result of acid buildup on the lines due to corona discharges and water buildup. This acid leaches minerals from the fibers, leading to fracture at low loads and service life. In order to combat this problem, efforts …

Mechanical Behavior Of Compression Molded Polyethylene Terephthalate, Daniel Cole Greinke, Paul Jackson Mcewan, Dan Tran

Materials Engineering

The purpose of this project was to investigate the effects of time, temperature, and pressure on the tensile strength and elastic modulus of recycled PET. Compression molding trials were performed on shredded PET bottles to produce tensile test specimens conforming to ASTM D638-03. Aluminum molds containing the PET were mechanically fastened together at the desired pressure and heated in an electric oven. The resulting specimens were subjected to tensile testing for analysis. This screening experiment failed to generate any statistically significant data concerning the factors of interest. These preliminary results may be used to design a more systematic follow-up study.

Electroplating Of Nanoengineered Polymer Substrate, Brandon Voelker

Masters Theses

The development of a polyethylene based polymer with metallic inclusions, a nanoengineered polymer, has recently opened up great potential for many new commercial and industrial applications. The major advantage of developing these nanoengineered polymers is to be able to tailor the resistance and other properties by varying the composition of the polymer. The industrial usage of this polymer benefits from the addition of an electrically conductive, metallic coating. This research develops methods of electroplating nickel and copper layers on to the polymer substrates using DC and pulsed techniques.

Electroplating is conducted in a 1000 mL beaker using a specialized plating …

Optimizing Polymer Fluorescence For Explosives Detection, Rose K. Cersonsky

Honors Scholar Theses

Pyrene is commonly used for explosives detection, as when mixed with polystyrene, the fluorescence intensity of the resulting film can be used as an indicator of the presence of nitro-aromatic, nitro-ether, or nitro-amine explosives. Previous studieshave tested a three-component system including pyrene, polystyrene, and a salt, tetrabutylammonium hexafluorophosphate (TBAHP). From these previous studies, it has been seen that vapor pressure of the preparation area is a governing factor in the formation of excimers, which are instrumental in achieving and maintaining fluorescence intensity. In this study, three parameters – solution concentration, film thickness, and molecular weight of polystyrene are examined to …

Investigation Of Energy Alignment Models At Polymer Interfaces, Wenfeng Wang

USF Tampa Graduate Theses and Dissertations

The presented study investigated the Induced Density of Interface States (IDIS) model at different polymer interfaces by using photoemission spectroscopy in combination with electrospray deposition.

In recent years, organic electronics have attracted considerable attention due to their advantages of low-cost and easy-fabrication. The performance of such devices crucially depends on the energy barrier that controls the interface charge transfer. A significant effort has been made to explore the mechanisms that determine the direction and magnitude of charge transfer barriers in these devices. As a result of this effort, the IDIS model was developed to predict the energy alignment at metal/organic …

Preparation Of A Polylactic Acid With Hydroxyapatite Reinforcement Composite, Odessa N. Quezon

Materials Engineering

Biodegradable polymers are a prime material choice for temporary biomedical devices due to its ability to degrade into non-toxic products for their use in vivo. However, polylactic acid (PLA) by itself lacks the sufficient strength and stiffness to permit their use as its properties begin to decrease as the polymer degrades. To improve the polymer’s mechanical properties, hydroxyapatite (HA) will be added to the PLA solution to act as reinforcement. The chemical property, glass transition temperature of a polymer, also plays a key role in the mechanical properties of the polymer. PLA’s glass temperature is 130⁰F. A polymer that …

Probing And Controlling Fluid Rheology At Microscale With Magnetic Nanorods, Alexander Tokarev

All Dissertations

This Dissertation is focused on the development of new methods for characterization and control of fluid rheology using magnetic nanorods. This Dissertation consists of five chapters. In the first chapter, we review current microrheologial methods and develop a Magnetic Rotational Spectroscopy (MRS) model describing nanorod response to a rotating magnetic field. Using numerical modeling, we analyze the effects of materials parameters of nanorods and fluids on the MRS characteristic features. The model is designed for a specific experimental protocol. We introduce and examine physical parameters which can be measured experimentally. The model allows identification of MRS features enabling the calculation …

Engineering Single-Molecule, Nanoscale, And Microscale Bio-Functional Materials Via Click Chemistry, Michael Daniele

All Dissertations

To expand the design envelope and supplement the materials library available to biomaterials scientists, the copper(I)-catalyzed azide-alkyne cycloaddition (CuCAAC) was explored as a route to design, synthesize and characterize bio-functional small-molecules, nanoparticles, and microfibers. In each engineered system, the use of click chemistry provided facile, bio-orthogonal control for materials synthesis; moreover, the results provided a methodology and more complete, fundamental understanding of the use of click chemistry as a tool for the synergy of biotechnology, polymer and materials science. Fluorophores with well-defined photophysical characteristics (ranging from UV to NIR fluorescence) were used as building blocks for small-molecule, fluorescent biosensors. Fluorophores …

The Mitigation Of Eutrophication Using Microporous Polymer Membranes To Control Algae Growth, Christopher R. Riley

Materials Engineering

A system was designed to mitigate the accelerated process of anthropogenic eutrophication. This system aimed to contain Chlorella Vulgaris microalgae cells within an enclosed polymer membrane pouch while allowing for water and nutrients to diffuse through the pouch. As a test model, a 10 gallon aquarium was partitioned into three sections using polycarbonate membranes with 1 micron pore diameters. Each section was then gradually filled with a deionized water and Bristol solution recommended for microalgae growth. Phosphate and nitrate were added to Section A of the aquarium and allowed to diffuse throughout the tank. A water pump was used to …

Multipolymer Interactions In Bulk Heterojunction Photovoltaic Devices, Grant Olson

Physics

Multipolymer photovoltaics, single layer devices made up of multiple photoactive polymers, can create organic photovoltaics (OPVs) with a wider spectral response than single polymer systems without the difficult fabrication of a tandem. Our group has successfully created multipolymer solar devices with 2% power conversion efficiency. We have analyzed the optical and electrical properties of these devices, and found that it may be possible for polymers to assist each other with charge extraction, though combining polymers disrupts single polymer crystallinity.