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College of Sciences

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School of Biological Sciences

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School of Chemistry and Biochemistry

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School of Earth and Atmospheric Sciences

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School of Mathematics

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School of Physics

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Now showing 1 - 10 of 381

Electronic and mechanical properties of chemically functionalized nanowires

(Georgia Institute of Technology, 2008-12-16) Bidasaria, Sanjay K.

Organic and inorganic nanostructured materials, nano- and mesoscale objects and devices, and their integration into existing microelectronic technologies have been at the center of recent fundamental and applied research in nanotechnology. One of the critical needs is to develop an enhanced predictive capability of structure-property correlations and enable robust high performance systems by design. My thesis work was concerned with the theoretical and experimental studies of electronic and mechanical properties of chemically functionalized nanowires. I will describe a theoretical approach for investigating structure-property correlations in atomic-sized metallic wires based on the Density Functional Theory (DFT) for structure calculations and the Non-equilibrium Green's Function (NEGF) technique for electronic transport properties simulations. This synergistic approach is shown to yield the atomic structure of the smallest niobium nanowires. Furthermore, the method was applied to simulate electronic properties of chemically functionalized graphene nanoribbons. Further, I will demonstrate an experimental technique for simultaneous measurements of force and conductance in atomic-size objects based on quartz tuning fork piezoelectric sensors. A peculiar scaling effect, relevant for a broad range of test and measurement applications, namely the squeeze film effect, was observed during the development of the sensors. Using theoretical analysis based on finite element simulations of the hydrodynamic behavior of the sensors in a broad range of ambient conditions, I explain the observed phenomenon.
Studies in the mass 160 decay chain. gamma-ray and conversion electron spectroscopy for the 160lu-160yb, 160yb-160tm, 160tm-160er decay schemes.

(Georgia Institute of Technology, 2008-12-16) Brown, Nathaniel J.

Excited states in the transitional nucleus 160Yb have been studied using gamma-ray and conversion electron spectroscopy following the beta+/EC decay of 160Lu. Excited states in the nuclei 160Tm and 160Er have been studied following the beta+/EC decay of 160Yb and 160Tm, respectively. The data for the present study were obtained at TRIUMF in Vancouver, Canada at the ISAC-1 facility through radioactive sources moved into the combination of the 8pi gamma-ray spectrometer array and the Pentagonal Array for Conversion Electron Spectroscopy (PACES). Analysis of gamma-ray gated gamma-ray, gamma-ray gated conversion electron and conversion electron gated gamma-ray spectra resulted in the discovery of a new first excited state and the establishment of a level scheme for 160Tm which differs from the one adopted; as well as a test of the rotational characteristics of 160Er with intensity comparisons to both the spin-5 beta-decaying isomer study of by Singh et al. and the spin-parity 1- beta decay study of by Strusny et al. and Bykov et al.
Matter-light entanglement with cold atomic ensembles

(Georgia Institute of Technology, 2008-12-16) Lan, Shau-Yu

In this thesis I present the investigations of matter-light entanglement in cold atomic samples. Particularly, entanglement of mixed species ensembles and bichromatic light fields is proposed and demonstrated experimentally. This approach avoids the use of two interferometrically separate paths for qubits entanglement distribution. I also present the first implementation of multiplexed quantum memory, and experimentally demonstrate entanglement involving arbitrary pairs of elements within this memory array. Finally, quantum interference of electromagnetic fields emitted by remote quantum memory elements separated by 5.5 m is realized.
Random sampling of lattice configurations using local Markov chains

(Georgia Institute of Technology, 2008-12-01) Greenberg, Sam

Algorithms based on Markov chains are ubiquitous across scientific disciplines, as they provide a method for extracting statistical information about large, complicated systems. Although these algorithms may be applied to arbitrary graphs, many physical applications are more naturally studied under the restriction to regular lattices. We study several local Markov chains on lattices, exploring how small changes to some parameters can greatly influence efficiency of the algorithms. We begin by examining a natural Markov Chain that arises in the context of "monotonic surfaces", where some point on a surface is sightly raised or lowered each step, but with a greater rate of raising than lowering. We show that this chain is rapidly mixing (converges quickly to the equilibrium) using a coupling argument; the novelty of our proof is that it requires defining an exponentially increasing distance function on pairs of surfaces, allowing us to derive near optimal results in many settings. Next, we present new methods for lower bounding the time local chains may take to converge to equilibrium. For many models that we study, there seems to be a phase transition as a parameter is changed, so that the chain is rapidly mixing above a critical point and slow mixing below it. Unfortunately, it is not always possible to make this intuition rigorous. We present the first proofs of slow mixing for three sampling problems motivated by statistical physics and nanotechnology: independent sets on the triangular lattice (the hard-core lattice gas model), weighted even orientations of the two-dimensional Cartesian lattice (the 8-vertex model), and non-saturated Ising (tile-based self-assembly). Previous proofs of slow mixing for other models have been based on contour arguments that allow us prove that a bottleneck in the state space constricts the mixing. The standard contour arguments do not seem to apply to these problems, so we modify this approach by introducing the notion of "fat contours" that can have nontrivial area. We use these to prove that the local chains defined for these models are slow mixing. Finally, we study another important issue that arises in the context of phase transitions in physical systems, namely how the boundary of a lattice can affect the efficiency of the Markov chain. We examine a local chain on the perfect and near-perfect matchings of the square-octagon lattice, and show for one boundary condition the chain will mix in polynomial time, while for another it will mix exponentially slowly. Strikingly, the two boundary conditions only differ at four vertices. These are the first rigorous proofs of such a phenomenon on lattice graphs.
Electron transfer and delocalization in mixed-valence monocations of bis- and tris-(diarylamino) derivatives

(Georgia Institute of Technology, 2008-11-18) Odom, Susan A.

To better understand the optical and electronic properties of thiophene- and pyrrole-based organic compounds on a molecular level, several aromatic compounds and their corresponding monocations were analyzed by a variety of solution-based spectroscopic techniques. The derivatives were initially synthesized using palladium-catalyzed amination reactions, condensation reactions, Horner-Emmons reactions, and Stille coupling reactions. Once isolated, the neutral compounds were analyzed by UV-visible-NIR absorption spectroscopy, fluorescence spectroscopy, cyclic voltammetry, and / or differential pulse voltammetry. Monocations were generated by chemical oxidation and were analyzed by visible-NIR absorption spectroscopy and electron paramagnetic resonance spectroscopy. By quantifying the extent of the electron-donor abilities of some chromophores and the electron delocalization of positive charge in the monocations, a more thorough understanding of the optical and electronic properties of the compounds was obtained.
An examination of salivary cortisol concentrations and behavior in three captive african elephants (loxodonta africana) at zoo atlanta

(Georgia Institute of Technology, 2008-11-18) Kelling, Angela Swilley

Salivary cortisol is becoming an effective method with which to quantify cortisol levels, including the ability to track diurnal patterns and acute stress fluctuations. The purpose of this study was to validate salivary cortisol for use in African elephants (Loxodonta Africana), establish baseline cortisol values in three African elephants at Zoo Atlanta and explore the relationship between cortisol and various behaviors and husbandry events. Elephant salivary cortisol was found to be a valid measure based on correlations with serum cortisol and serial dilution results. Salivary cortisol also decreased across the day, but no definitive patterns were revealed. Using baseline values, salivary cortisol was used to examine the effects of enrichment, maintenance and novel training, and a mild stressor. Maintenance training was found to lead to lower cortisol values than novel training. Salivary cortisol after enrichment did not differ from individual overall means. The mild stressor initiated a rise in salivary cortisol. The final focus of this study was to investigate the link between salivary cortisol and stereotypic behavior. Stereotypies are described as repetitive behaviors with little variance and no discernible function or goal. There is not a straightforward relationship between stereotypies and welfare. Analysis of salivary cortisol at various durations into swaying bouts established that swaying appears to decrease cortisol levels. Additionally, behavioral data were collected. Behavioral data confirmed anecdotal reports of circular dominance in these animals. Behavioral data also revealed that although these individuals spend the majority of their time consuming food, one individual in particular devotes a significant amount of her time to swaying, a percentage much higher than that found when Wilson, Bloomsmith, and Maple (2004) examined stereotypic swaying rates in these same animals. Results of this study have direct ramifications for the current management requirements for captive elephants around the world. It helps tap into aspects of psychological well being of captive elephants to elucidate factors influencing welfare and stereotypic behavior. Research of this nature is a critical endeavor if we are to appropriately manage these magnificent animals in captivity.
Design, synthesis, kinetic analysis, molecular modeling, and pharmacological evaluation of novel inhibitors of peptide amidation

(Georgia Institute of Technology, 2008-11-18) Foster, Michael Scott

Novel, rationally-designed acrylate analogs of various known dipeptide substrates were found to be mechanism-based inactivators of the enzyme peptidylglycine alpha-amidating monooxygenase (PAM, EC 1.14.17.3). This enzyme is responsible for the rate-limiting and final bioactivation step, a C-terminal amidation of glycine-extended peptides, of a variety of peptide hormones including the potent pro-inflammatory compound Substance P. Protein-ligand docking studies, in tandem with in vitro kinetic analysis of these inactivators, indicated that the rational design of this class of compounds was successful in creating potent competitive inactivators of this enzyme. Pharmacological evaluation, via both acute and chronic models of inflammation in Sprague-Dawley rats, of these compounds indicates that they are highly potent anti-inflammatory agents which ameliorate both acute carrageenan-induced edema and the deleterious effects of chronic adjuvant-induced polyarthritis. Furthermore, these compounds were also able to induce a return toward a more normal phenotype in cancerous WB-Ras epithelial cells, via the interruption of the growth factor-stimulated pathway precipitated by Substance P. Finally, our modeling studies provide a structural basis for both the reaction and subsite stereospecificity of PAM toward its substrates, competitive inhibitors, and mechanism-based inactivators.
Barium ion cavity qed and triply ionized thorium ion trapping

(Georgia Institute of Technology, 2008-11-17) Steele, Adam V.

Trapped cold ions are tools which we used to approach two very disparate areas of physics, strong coupling between Ba+ ions and optical resonators, and investigations of a low-energy nuclear isomer of 229-Th. The first part of this thesis describes our progress towards the integration of a miniature Paul (rf) ion trap with a high finesse (F=30000) optical cavity. Ba+ ions were trapped and cooled for long periods and a new scheme for isotope selective photoionization was developed. The second part of this thesis describes our progress towards controlled excitation of the low energy nuclear isomer of 229-Th, which may provide a bridge between the techniques of cold atomic and nuclear physics. As a step towards this goal, 232-Th3+ ions were confined in rf ions traps and cooled via collisions with a buffer gas of helium. A sophisticated scanning program was developed for controlling ion trap loading, tuning lasers, and running a CCD camera to look for fluorescence. The low-lying electronic transitions of Th3+ at 984 nm, 690 nm and 1087 nm were observed via laser fluorescence.
On the limiting shape of random young tableaux for Markovian words

(Georgia Institute of Technology, 2008-11-17) Litherland, Trevis J.

The limiting law of the length of the longest increasing subsequence, LI_n, for sequences (words) of length n arising from iid letters drawn from finite, ordered alphabets is studied using a straightforward Brownian functional approach. Building on the insights gained in both the uniform and non-uniform iid cases, this approach is then applied to iid countable alphabets. Some partial results associated with the extension to independent, growing alphabets are also given. Returning again to the finite setting, and keeping with the same Brownian formalism, a generalization is then made to words arising from irreducible, aperiodic, time-homogeneous Markov chains on a finite, ordered alphabet. At the same time, the probabilistic object, LI_n, is simultaneously generalized to the shape of the associated Young tableau given by the well-known RSK-correspondence. Our results on this limiting shape describe, in detail, precisely when the limiting shape of the Young tableau is (up to scaling) that of the iid case, thereby answering a conjecture of Kuperberg. These results are based heavily on an analysis of the covariance structure of an m-dimensional Brownian motion and the precise form of the Brownian functionals. Finally, in both the iid and more general Markovian cases, connections to the limiting laws of the spectrum of certain random matrices associated with the Gaussian Unitary Ensemble (GUE) are explored.
Random dot product graphs: a flexible model for complex networks

(Georgia Institute of Technology, 2008-11-17) Young, Stephen J.

Over the last twenty years, as biological, technological, and social net- works have risen in prominence and importance, the study of complex networks has attracted researchers from a wide range of ﬁelds. As a result, there is a large and diverse body of literature concerning the properties and development of models for complex networks. However, many of the models that have been previously developed, although quite successful at capturing many observed properties of complex networks, have failed to capture the fundamental semantics of the networks. In this thesis, we propose a robust and general model for complex networks that incorporates at a fundamental level semantic information. We show that for a large range of average degrees and with a suitable choice of parameters, this model exhibits the three hallmark properties of complex networks: small diameter, clustering, and skewed degree distribution. Additionally, we provide a structural interpretation of assortativity and apply this strucutral assortativity to the random dot product graph model. We also extend the results of Chung, Lu, and Vu on the spectral gap of the expected degree sequence model to a general class of random graph models with independent edges. We apply this result to the recently developed Stochastic Kronecker graph model of Leskovec, Chakrabarti, Kleinberg, and Faloutsos.