Physical Sciences and Mathematics Commons^™

Beta-Delayed Neutron Data And Models For Scale, Kemper Dyar Talley

Doctoral Dissertations

Recent advancements in experimental and theoretical nuclear physics have yielded new data and models that more accurately describe the decay of fission products compared to historical data currently used for many applications. This work examines the effect of the adopting the Effective Density Model theory for beta-delayed neutron emission probability on calculations of delayed-neutron production and fission product nuclide concentrations after fission bursts as well as the total delayed neutron fraction in comparison with the Keepin 6-group model. We use ORIGEN within the SCALE code package for these calculations. We show quantitative changes to the isotopic concentrations for fallout nuclides …

Large Scale Brownian Dynamics Simulation Of Dilute And Semidilute Polymeric Solutions, Amir Saadat

Doctoral Dissertations

Excluded Volume (EV) and Hydrodynamic Interactions (HI) play a central role in static and dynamic properties of macromolecules in solution under equilibrium and nonequilibrium settings. The computational cost of incorporating HI in mesoscale Brownian dynamics (BD) simulations, particularly in the semidilute regime has motivated significant research aimed at development of high-fidelity and efficient techniques.

In this study, I have developed several algorithms for the mesoscale bead-spring representation of a macromolecular solution in dilute and semidilute regimes. The Krylov subspace method enables fast calculation of single chain dynamics with simulation time scaling of O(N_b²) [order N …

Evaporation Induced Self-Assembly And Characterization Of Nanoparticulate Films: A New Route To Bulk Heterojunctions, Yipeng Yang

Doctoral Dissertations

Polymer-based semiconducting materials are promising candidates for large-scale, low-cost photovoltaic devices. To date, the efficiency of these devices has been low in part because of the challenge of optimizing molecular packing while also obtaining a bicontinuous structure with a characteristic length comparable to the exciton diffusion length of 10 to 20 nm. In this dissertation we developed an innovative evaporation-induced nanoparticle self-assembly technique, which could be an effective approach to fabricate uniform, densely packed, smooth thin films with cm-scale area from home-made P3HT nanoparticles. Unlike the previous reports of nanoparticle-based film formation, we use a mixture of two solvents so …

Intrinsic Functions For Securing Cmos Computation: Variability, Modeling And Noise Sensitivity, Xiaolin Xu

Doctoral Dissertations

A basic premise behind modern secure computation is the demand for lightweight cryptographic primitives, like identifier or key generator. From a circuit perspective, the development of cryptographic modules has also been driven by the aggressive scalability of complementary metal-oxide-semiconductor (CMOS) technology. While advancing into nano-meter regime, one significant characteristic of today's CMOS design is the random nature of process variability, which limits the nominal circuit design. With the continuous scaling of CMOS technology, instead of mitigating the physical variability, leveraging such properties becomes a promising way. One of the famous products adhering to this double-edged sword philosophy is the Physically …

Stochastic Network Design: Models And Scalable Algorithms, Xiaojian Wu

Doctoral Dissertations

Many natural and social phenomena occur in networks. Examples include the spread of information, ideas, and opinions through a social network, the propagation of an infectious disease among people, and the spread of species within an interconnected habitat network. The ability to modify a phenomenon towards some desired outcomes has widely recognized benefits to our society and the economy. The outcome of a phenomenon is largely determined by the topology or properties of its underlying network. A decision maker can take management actions to modify a network and, therefore, change the outcome of the phenomenon. A management action is an …

Cell Modulation Using Functionalized Nanoparticles, Rui Tang

Doctoral Dissertations

Monolayer functionalized ultra-small gold nanoparticles (AuNPs) provide a versatile platform for applications in cell research. Through rational design of surface ligands, the chemistry of AuNPs are precisely regulated at atomic level. In this dissertation, applications of AuNPs in cell modulation are discussed. The topics are split into two categories. In the first category, functionalized AuNPs are harnessed to generate a robust monolayer on cell culture surface for cell modulation. The proliferation and behavior of different types of cancer cells and normal cells are modulated by tuning the surface ligands of AuNPs. Fate decision of mesenchymal stem cells are also modulated …

Kinetics And Dynamics Of Electrophoretic Translocation Of Polyelectrolytes Through Nanopores, Harshwardhan Katkar

Doctoral Dissertations

The idea of sequencing a DNA based on single-file translocation of the DNA through nanopores under the action of an electric field has received much attention over the past two decades due to the societal need for low cost and high-throughput sequencing. However, due to the high speed of translocation, interrogating individual bases with an acceptable signal to noise ratio as they traverse the pore has been a major problem. Experimental facts on this phenomenon are rich and the associated phenomenology is yet to be fully understood. This thesis focuses on understanding the underlying principles of polymer translocation, with an …

Polymer And Small Molecule Designs For Anion Conducting Membranes: Connected Ion-Channel Morphologies And Highly Alkaline Stable Ammonium Cations, Sedef P. Ertem

Doctoral Dissertations

Fuel cells are one of the oldest sustainable energy generation devices, converting chemical energy into electrical energy via reverse-electrolysis reactions. With the rapid development of polymer science, solid polymer electrolyte (SPE) membranes replaced the conventional liquid ion transport media, rendering low-temperature fuel cells more accessible for applications in portable electronics and transportation. However, SPE fuel cells are still far from commercialization due to high operation cost, and insufficient lifetime and performance limitations. Anion exchange membrane fuel cells (AEMFCs) are inexpensive alternatives to current proton exchange membrane fuel cell (PEMFC) technology, which relies on utilizing expensive noble-metal catalysts and perfluorinated SPE …

Anxiolytic Effects Of Propranolol And Diphenoxylate On Mice And Automated Stretch-Attend Posture Analysis, Kevin Scott Holly

Doctoral Dissertations

The prevention of social anxiety, performance anxiety, and social phobia via the combination of two generic drugs, diphenoxylate HC1 (opioid) plus atropine sulfate (anticholinergic) and propranolol HCl (beta blocker) was evaluated in mice through behavioral studies. A patent published on a September 8, 2011 by Benjamin D. Holly, US 2011/0218215 Al, prompted the research. The drug combination of diphenoxylate and atropine plus propranolol could be an immediate treatment for patients suffering from acute phobic and social anxiety disorders. Demonstrating the anxiolytic effects of the treatment on mice would validate a mouse model for neuroscientist to be used to detect the …

Generalized Partial Directed Coherence And Centrality Measures In Brain Networks For Epileptogenic Focus Localization, Joshua Aaron Adkinson

Doctoral Dissertations

Accurate epileptogenic focus localization is required prior to surgical resection of brain tissue for treatment of patients with intractable temporal lobe epilepsy, a clinical need that is partially fulfilled to date through a subjective, and at times inconclusive, evaluation of the recorded electroencephalogram (EEG). Using brain connectivity analysis, patterns of causal interactions between brain regions were derived from multichannel EEG of 127 seizures in nine patients with focal, temporal lobe epilepsy (TLE). The statistically significant directed interactions in the reconstructed brain networks were estimated from three second intracranial multi-electrode EEG segments using the Generalized Partial Directed Coherence (GPDC) and validated …

Lattice Boltzmann Methods For Wind Energy Analysis, Stephen Lloyd Wood

Doctoral Dissertations

An estimate of the United States wind potential conducted in 2011 found that the energy available at an altitude of 80 meters is approximately triple the wind energy available 50 meters above ground. In 2012, 43% of all new electricity generation installed in the U.S. (13.1 GW) came from wind power. The majority of this power, 79%, comes from large utility scale turbines that are being manufactured at unprecedented sizes. Existing wind plants operate with a capacity factor of only approximately 30%. Measurements have shown that the turbulent wake of a turbine persists for many rotor diameters, inducing increased vibration …

Achieving High Reliability And Efficiency In Maintaining Large-Scale Storage Systems Through Optimal Resource Provisioning And Data Placement, Lipeng Wan

Doctoral Dissertations

With the explosive increase in the amount of data being generated by various applications, large-scale distributed and parallel storage systems have become common data storage solutions and been widely deployed and utilized in both industry and academia. While these high performance storage systems significantly accelerate the data storage and retrieval, they also bring some critical issues in system maintenance and management. In this dissertation, I propose three methodologies to address three of these critical issues.

First, I develop an optimal resource management and spare provisioning model to minimize the impact brought by component failures and ensure a highly operational experience …

A Generalized Method For Fissile Material Characterization Using Short-Lived Fission Product Gamma Spectroscopy, Justin Richard Knowles

Doctoral Dissertations

Characterizing the fissile content of nuclear materials is of particular interest to the safeguards and nuclear forensics communities. Short-lived fission product gamma spectroscopy offers a significant reduction in analysis time and detection limits when compared to traditional non-destructive assay measurements. Through this work, a fully generalizable method that can be applied to variations in fissile compositions and neutron spectra was developed for the modeling and measurement of short-lived fission product gamma-rays. This method uses a 238-group neutron flux that was characterized for two pneumatic tube positions in the High Flux Isotope Reactor using flux monitor irradiations. This flux spectrum was …

Characterizing Local Order And Physical Properties Of Rare Earth Complex Oxides, Thomas Jacob Shamblin

Doctoral Dissertations

With more than 500 compositions, materials possessing the pyrochlore structure have a myriad of technological applications and physical phenomena. Three of the most noteworthy properties are the structure’s ability to resist amorphization making it a possible host matrix for spent nuclear fuel, its exotic magnetic properties arising from geometric frustration, and fast ionic conductivity for solid-oxide fuel cell applications. This work focuses on these three aspects of the pyrochlore’s many potential uses. Structural characterization revealed that pyrochlore-type oxides have a tendency to disorder from a high symmetry cubic structure to a lower symmetry orthorhombic arrangement in response to a variety …

Actinium-225 Production Via Proton Irradiation Of Thorium-232, Justin Reed Griswold

Doctoral Dissertations

High energy proton spallation reactions on natural thorium metal targets have been utilized to produce multi mCi [milliCurie] quantities of Actinium-225. Theoretical cross sections for actinium and thorium isotopes as well as for a select number of the fission products produced in these reactions were generated by the Monte Carlo radiation transport code PHITS to simulate the experimental data obtained from sixteen irradiations of thorium metal targets with 25-210 µA [microampere] proton beams ranging in energies from 77 to 192 MeV. Irradiations were conducted at Brookhaven National Laboratory (BNL) and Los Alamos National Laboratory (LANL), while target dissolution and processing …

Lignin-Based Li-Ion Anode Materials Synthesized From Low-Cost Renewable Resources, Nicholas William Mcnutt

Doctoral Dissertations

In today’s world, the demand for novel methods of energy storage is increasing rapidly, particularly with the rise of portable electronic devices, electric vehicles, and the personal consumption and storage of solar energy. While other technologies have arguably improved at a rate that is exponential in accordance with Moore’s law, battery technology has lagged behind largely due to the difficulty in devising new electric storage systems that are simultaneously high performing, inexpensive, and safe.

In order to tackle these challenges, novel Li-ion battery anodes have been developed at Oak Ridge National Laboratory that are made from lignin, a low-cost, renewable …

Interaction Between Charge-Transfer States Studied By Magnetic Field Effects, Mingxing Li

Doctoral Dissertations

Organic semiconducting materials, consisting mostly of carbon and hydrogen atoms, provide remarkable promise for electronic applications due to their easy processing, chemical tenability, low costs and environmental-friendly characteristics. For realizing electronic applications such as light emitting diodes and photovoltaic cells, charge-transfer states act as an important intermediate state for recombination and dissociation. Interestingly, magnetic field effects on semiconducting materials have been realized based on the suppression of spin mixing in the charge-transfer states. Although lots of studies have been carried out on investigating the properties of charge-transfer states, little has been done to consider the interaction between them. This thesis …

Morphological And Material Effects In Van Der Waals Interactions, Jaime C. Hopkins

Doctoral Dissertations

Van der Waals (vdW) interactions influence a variety of mesoscale phenomena, such as surface adhesion, friction, and colloid stability, and play increasingly important roles as science seeks to design systems on increasingly smaller length scales. Using the full Lifshitz continuum formulation, this thesis investigates the effects of system materials, shapes, and configurations and presents open-source software to accurately calculate vdW interactions. In the Lifshitz formulation, the microscopic composition of a material is represented by its bulk dielectric response. Small changes in a dielectric response can result in substantial variations in the strength of vdW interactions. However, the relationship between these …

Synthesis And Characterization Of Polymeric Anion Exchange Membranes, Wenxu Zhang

Doctoral Dissertations

As alkaline anion exchange membrane fuel cells (AAEMFC) are regarded as promising and important energy devices, the development of high performance anion exchange membranes are in urgent need, as well as fundamental investigation on the structure-property relationship, which are the motivation of this dissertation. Three different polymer systems are presented and focused on polymer synthesis, material morphology, and ion transport phenomena. Crosslinked membranes are promising as practical materials, however, the understanding and further improvement of its performance is hindered by the lack of an ordered morphology or well-defined chemical structure. In Chapter 2, a series of crosslinked membranes were design …

Wind Farm Wake Modeling And Analysis Of Wake Impacts In A Wind Farm, Yujia Hao

Doctoral Dissertations

More and more wind turbines have been grouped in the same location during the last decades to take the advantage of profitable wind resources and reduced maintenance cost. However wind turbines located in a wind farm are subject to a wind field that is substantially modified compared to the ambient wind field due to wake effects. The wake results in a reduced power production, increased load variation on the waked turbine, and reduced wake farm efficiency. Therefore the wake has long been an important concern for the wind farm installation, maintenance, and control. Thus a wake simulation tool is required. …

Experimental Investigation And Numerical Simulation Of A Copper Micro-Channel Heat Exchanger With Hfe-7200 Working Fluid, Eric Borquist

Doctoral Dissertations

Ever increasing cost and consumption of global energy resources has inspired the development of energy harvesting techniques which increase system efficiency, sustainability, and environmental impact by using waste energy otherwise lost to the surroundings. As part of a larger effort to produce a multi-energy source prototype, this study focused on the fabrication and testing of a waste heat recovery micro-channel heat exchanger. Reducing cost and facility requirements were a priority for potential industry and commercial adoption of such energy harvesting devices. During development of the micro-channel heat exchanger, a new fabrication process using mature technologies was created that reduced cost, …

Symbiotic Plasmonic Nanomaterials: Synthesis And Properties, Abhinav Malasi

Doctoral Dissertations

Metal particles of the dimensions of the order of 1 to 100's of nanometers show unique properties that are not clearly evident in their bulk state. These nanoparticles are highly reactive and sensitive to the changes in the vicinity of the particle surface and hence find applications in the field of sensing of chemical and biological agents, catalysis, energy harvesting, data storage and many more. By synthesizing bimetallic nanoparticles, a single nanoparticle can show multifunctional characteristics. The focus of this thesis is to detail the synthesis and understand the properties of bimetallic nanomaterial systems that show interesting optical, chemical, and …

Pulsed-Laser Induced Dewetting Of Metallic Nanostructures, Christopher Aidan Hartnett

Doctoral Dissertations

This dissertation explores the fluid dynamics of nano and microscale liquid metal filaments, with an emphasis on experimentally investigating the influences and causes of filament breakup and metallic nanostructure formation. Understanding and manipulating the liquid state properties of materials, especially metals, have the potential to advance the development of future technology, particularly nanoscale technology. The combination of top-down nanofabrication techniques with bottom-up, intrinsic self-assembly mechanisms are a powerful fusion, because it permits new and unusual nanostructures to be created, whilst revealing interesting nanoscale physics.

In fluid dynamics, wetting and dewetting is the spontaneous natural process that occurs when a liquid …

A Characterization Study On Catalyst Layers In Proton Exchange Membrane Fuel Cells, Luyue Li

Doctoral Dissertations

This thesis describes the work for the catalyst layer (CL) characterization study of proton exchange membranes (PEM) for fuel cells. In particular, both the structure and performance of catalyst layers with alternative ionomers were studied. Structure wise, the morphology, surface area and pore size distribution studies were accomplished with scanning electron microscopy (SEM), transmission electron microscope (TEM) and nitrogen adsorption processed through Brunauer–Emmett–Teller (BET) and Barrett-Joyner-Halenda (BJH) theory. Water uptake isotherms of the CLs have been developed under well controlled relative humidity (RH) levels. The performance characterization focuses on polarization study, catalyst layer proton conductivity measurement and estimation of the …

Investigation Of Langmuir Probes In Non-Maxwellian Plasma Using Particle-In-Cell (Pic) Modeling, Densu Aktas Lister

Doctoral Dissertations

This dissertation explores the development of a capability for simulating the plasma dynamics of Langmuir probes (LP) in complex plasmas where the velocity distributions are non-equilibrium and the electron energy spectrum is non-Maxwellian with respect to laboratory and space experiments. The results of this investigation are interpreted to give recommendations for design and use of LPs. This work is conducted using computational techniques to create the exact plasma conditions of the experimental testing environments. The investigations address the following topics:

• development of a technique to model non-Maxwellian physics,
• modification of a baseline-technique and optimization of it for this application,
• creation …

Mutlifunctional Platforms For Gene And Drug Delivery For Cancer Therapy, Jeffery J. Ambrose Jr.

Doctoral Dissertations

The National Cancer Institute and the American Cancer Society estimate that 1.6 million new cancer incidences and over half a million cancer related deaths occur annually [1][2]. Cancer the second most common cause of death in the United States [1], [2]. Although the causes of cancer can vary depending on cell type, all or almost all instances of cancer arise from a mutation or from an abnormal activation of the cellular genes that control cell growth and mitosis [3].

Treatment of a given cancer type depends on the subtype, stage and progression of the cancer. Varieties of cancer therapy include …

Tunable Controlled Release Of Molecular Species From Halloysite Nanotubes, Divya Narayan Elumalai

Doctoral Dissertations

Encouraged by potential applications in rust coatings, self-healing composites, selective delivery of drugs, and catalysis, the transport of molecular species through Halloysite nanotubes (HNTs), specifically the storage and controlled release of these molecules, has attracted strong interest in recent years. HNTs are a naturally occurring biocompatible nanomaterial that are abundantly and readily available. They are alumosilicate based tubular clay nanotubes with an inner lumen of 15 nm and a length of 600-900 nm. The size of the inner lumen of HNTs may be adjusted by etching. The lumen can be loaded with functional agents like antioxidants, anticorrosion agents, flame-retardant agents, …

Refractive Index Engineering And Optical Properties Enhancement By Polymer Nanocomposites, Cheng Li

Doctoral Dissertations

The major part of this dissertation discusses the engineering of the refractive index of materials using solution-processable polymer nanocomposites and their applications in building optical components and devices. Three particular polymer nanocomposites have been introduced to achieve materials with tunable refractive indices and enhanced optical properties, which can be used to manipulate the behavior of light or electromagnetic radiations. In the first system, polyhedral oligomeric silsesquioxane (POSS)/polymer nanocomposites are developed. Thin films with tunable, low refractive indicies were fabricated from the composites. The mechanical strength of these films was characterized, and their application in antireflective coatings is discussed. In the …

(I) Polymer Nanocomposites: Rheology And Processing For Mesoporous Materials And (Ii) Nanopatterning Of Metal Oxides Using Soft Lithography, Rohit Kothari

Doctoral Dissertations

The research in this dissertation is categorized into two parts. The first part is focused on investigation of order-to-disorder transitions (ODT) in nanocomposites of an amphiphilic block copolymer containing various hydrogen-bonded additives, and fabrication of novel mesoporous silica based materials by utilizing such nanocomposites as templates. Disordered Pluronic®, poly(ethylene oxide) (PEO)−poly(propylene oxide) (PPO)−PEO triblock copolymer upon blending with small molecule additives containing hydrogen-bond-donating functional groups (carboxyl or hydroxyl) result into ordered nanoscale morphologies by preferentially interacting with the hydrophilic PEO chains in the Pluronic®. The dependence of ODT-temperature in these novel Pluronic®/small-molecule-additive complexes on composition, number and type of functional …

Voltage Driven Translocation Of Polyelectrolytes Through Nanopores, Byoung-Jin Jeon

Doctoral Dissertations

Recently, translocations of polyelectrolyte molecules through membrane channel protein pores or solid-state nanopores have been actively studied. Although the polymer translocation researches emerged mainly due to technological demands in terms of genome sequencing, the detailed physics of the single molecule transport through a narrow channel remains fully understood. To obtain further understanding of common features of the translocation process, this thesis focuses on the effects of salt concentration, pore-polymer electrostatic interactions, and externally applied electric field on the voltage-driven polymer translocations. The study is carried out by performing a series of systematically designed experiments using alpha-hemolysin (αHL) protein pore to …