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**Decade:**2000-2009

**Degree Discipline:**Physics

### Growth and Characterization of β-Iron Disilicide, β-Iron Silicon Germanide, and Osmium Silicides

**Date:**August 2009

**Creator:**Cottier, Ryan James

**Description:**The semiconducting silicides offer significant potential for use in optoelectronic devices. Full implementation of the materials, however, requires the ability to tailor the energy gap and band structure to permit the synthesis of heterojunctions. One promising approach is to alloy the silicides with Ge. As part of an investigation into the synthesis of semiconducting silicide heterostructures, a series of β-Fe(Si1−xGex)2 epilayer samples, with nominal alloy content in the range 0 < x < 0.15, have been prepared by molecular beam epitaxy on Si(100). I present results of the epitaxial and crystalline quality of the films, as determined by reflection high-energy electron diffraction, Rutherford backscattering spectroscopy, and double crystal x-ray diffraction, and of the band gap dependence on the alloy composition, as determined by Fourier transform infrared spectroscopy. A reduction in band gap was observed with increasing Ge content, in agreement with previous theoretical predictions. However Ge segregation was also observed in β-Fe(Si1−xGex)2 epilayers when x > 0.04. Osmium silicide films have been grown by molecular beam epitaxy on Si(100). The silicides have been grown using e-beam evaporation sources for both Os and Si onto Si(100) substrates at varying growth rates and temperatures ranging from 600-700ºC. The resulting films have been ...

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### Nonlinear UV Laser Build-up Cavity: An Efficient Design

**Date:**May 2009

**Creator:**Rady, Nicholas Henry

**Description:**Using the concept of the build-up cavity for second harmonic generation to produce 243nm laser light, an innovative cavity is theoretically explored using a 15mm length CLBO crystal. In order to limit the losses of the cavity, the number of effective optical surfaces is kept to only four and the use of a MgF2 crystal is adopted to separate the harmonic and fundamental laser beam from each other. The cavity is shown to have an expected round trip loss of five tenths of a percent or better, resulting in a conversion efficiency greater than 65%.

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### Exploration of hierarchical leadership and connectivity in neural networks in vitro.

**Date:**December 2008

**Creator:**Ham, Michael I.

**Description:**Living neural networks are capable of processing information much faster than a modern computer, despite running at significantly lower clock speeds. Therefore, understanding the mechanisms neural networks utilize is an issue of substantial importance. Neuronal interaction dynamics were studied using histiotypic networks growing on microelectrode arrays in vitro. Hierarchical relationships were explored using bursting (when many neurons fire in a short time frame) dynamics, pairwise neuronal activation, and information theoretic measures. Together, these methods reveal that global network activity results from ignition by a small group of burst leader neurons, which form a primary circuit that is responsible for initiating most network-wide burst events. Phase delays between leaders and followers reveal information about the nature of the connection between the two. Physical distance from a burst leader appears to be an important factor in follower response dynamics. Information theory reveals that mutual information between neuronal pairs is also a function of physical distance. Activation relationships in developing networks were studied and plating density was found to play an important role in network connectivity development. These measures provide unique views of network connectivity and hierarchical relationship in vitro which should be included in biologically meaningful models of neural networks.

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### Neutron Transmutation and Hydrogenation Study of Hg₁₋xCdxTe

**Date:**December 2007

**Creator:**Zhao, Wei

**Description:**Anomalous Hall behavior of HgCdTe refers to a "double cross-over" feature of the Hall coefficient in p-type material, or a peak in the Hall mobility or Hall coefficient in n-type material. A magnetoconductivity tensor approach was utilized to identify presence of two electrons contributing to the conduction as well as transport properties of each electron in the material. The two electron model for the mobility shows that the anomalous Hall behavior results from the competition of two electrons, one in the energy gap graded region near the CdZnTe/HgCdTe interface with large band gap and the other in the bulk of the LPE film with narrow band gap. Hg0.78Cd0.22Te samples grown by LPE on CdZnTe(111B)-oriented substrates were exposed to various doses of thermal neutrons (~1.7 x 1016 - 1.25 x 1017 /cm2) and subsequently annealed at ~220oC for ~24h in Hg saturated vapor to recover damage and reduce the presence of Hg vacancies. Extensive Magnetotransport measurements were performed on these samples. SIMS profile for impurities produced by neutron irradiation was also obtained. The purpose for this study is to investigate the influence of neutron irradiation on this material as a basis for further study on HgCdTe74Se. The result shows that total ...

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### Oligonucleotide guanosine conjugated to gallium nitride nano-structures for photonics.

**Date:**August 2008

**Creator:**Li, Jianyou

**Description:**In this work, I studied the hybrid system based on self-assembled guanosine crystal (SAGC) conjugated to wide-bandgap semiconductor gallium nitride (GaN). Guanosine is one of the four bases of DNA and has the lowest oxidation energy, which favors carrier transport. It also has large dipole moment. Guanosine molecules self-assemble to ribbon-like structure in confined space. GaN surface can have positive or negative polarity depending on whether the surface is Ga- or N-terminated. I studied SAGC in confined space between two electrodes. The current-voltage characteristics can be explained very well with the theory of metal-semiconductor-metal (MSM) structure. I-V curves also show strong rectification effect, which can be explained by the intrinsic polarization along the axis of ribbon-like structure of SAGC. GaN substrate property influences the properties of SAGC. So SAGC has semiconductor properties within the confined space up to 458nm. When the gap distance gets up to 484nm, the structure with guanosine shows resistance characteristics. The photocurrent measurements show that the bandgap of SAGC is about 3.3-3.4eV and affected by substrate properties. The MSM structure based on SAGC can be used as photodetector in UV region. Then I show that the periodic structure based on GaN and SAGC can have photonic ...

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### The Nonadditive Generalization of Klimontovich's S-Theorem for Open Systems and Boltzmann's Orthodes

**Date:**August 2008

**Creator:**Bagci, Gokhan Baris

**Description:**We show that the nonadditive open systems can be studied in a consistent manner by using a generalized version of S-theorem. This new generalized S-theorem can further be considered as an indication of self-organization in nonadditive open systems as prescribed by Haken. The nonadditive S-theorem is then illustrated by using the modified Van der Pol oscillator. Finally, Tsallis entropy as an equilibrium entropy is studied by using Boltzmann's method of orthodes. This part of dissertation shows that Tsallis ensemble is on equal footing with the microcanonical, canonical and grand canonical ensembles. However, the associated entropy turns out to be Renyi entropy.

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### Emergence of Complexity from Synchronization and Cooperation

**Date:**May 2008

**Creator:**Geneston, Elvis L.

**Description:**The dynamical origin of complexity is an object of intense debate and, up to moment of writing this manuscript, no unified approach exists as to how it should be properly addressed. This research work adopts the perspective of complexity as characterized by the emergence of non-Poisson renewal processes. In particular I introduce two new complex system models, namely the two-state stochastic clocks and the integrate-and-fire stochastic neurons, and investigate its coupled dynamics in different network topologies. Based on the foundations of renewal theory, I show how complexity, as manifested by the occurrence of non-exponential distribution of events, emerges from the interaction of the units of the system. Conclusion is made on the work's applicability to explaining the dynamics of blinking nanocrystals, neuron interaction in the human brain, and synchronization processes in complex networks.

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### Multifunctional Organic-Inorganic Hybrid Nanophotonic Devices

**Date:**May 2008

**Creator:**Garner, Brett William

**Description:**The emergence of optical applications, such as lasers, fiber optics, and semiconductor based sources and detectors, has created a drive for smaller and more specialized devices. Nanophotonics is an emerging field of study that encompasses the disciplines of physics, engineering, chemistry, biology, applied sciences and biomedical technology. In particular, nanophotonics explores optical processes on a nanoscale. This dissertation presents nanophotonic applications that incorporate various forms of the organic polymer N-isopropylacrylamide (NIPA) with inorganic semiconductors. This includes the material characterization of NIPA, with such techniques as ellipsometry and dynamic light scattering. Two devices were constructed incorporating the NIPA hydrogel with semiconductors. The first device comprises a PNIPAM-CdTe hybrid material. The PNIPAM is a means for the control of distances between CdTe quantum dots encapsulated within the hydrogel. Controlling the distance between the quantum dots allows for the control of resonant energy transfer between neighboring quantum dots. Whereby, providing a means for controlling the temperature dependent red-shifts in photoluminescent peaks and FWHM. Further, enhancement of photoluminescent due to increased scattering in the medium is shown as a function of temperature. The second device incorporates NIPA into a 2D photonic crystal patterned on GaAs. The refractive index change of the NIPA hydrogel as ...

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### Microscopic Foundations of Thermodynamics and Generalized Statistical Ensembles

**Date:**May 2008

**Creator:**Campisi, Michele

**Description:**This dissertation aims at addressing two important theoretical questions which are still debated in the statistical mechanical community. The first question has to do with the outstanding problem of how to reconcile time-reversal asymmetric macroscopic laws with the time-reversal symmetric laws of microscopic dynamics. This problem is addressed by developing a novel mechanical approach inspired by the work of Helmholtz on monocyclic systems and the Heat Theorem, i.e., the Helmholtz Theorem. By following a line of investigation initiated by Boltzmann, a Generalized Helmholtz Theorem is stated and proved. This theorem provides us with a good microscopic analogue of thermodynamic entropy. This is the volume entropy, namely the logarithm of the volume of phase space enclosed by the constant energy hyper-surface. By using quantum mechanics only, it is shown that such entropy can only increase. This can be seen as a novel rigorous proof of the Second Law of Thermodynamics that sheds new light onto the arrow of time problem. The volume entropy behaves in a thermodynamic-like way independent of the number of degrees of freedom of the system, indicating that a whole thermodynamic-like world exists at the microscopic level. It is also shown that breaking of ergodicity leads to microcanonical ...

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### Perturbation of renewal processes

**Date:**May 2008

**Creator:**Akin, Osman Caglar

**Description:**Renewal theory began development in the early 1940s, as the need for it in the industrial engineering sub-discipline operations research had risen. In time, the theory found applications in many stochastic processes. In this thesis I investigated the effect of seasonal effects on Poisson and non-Poisson renewal processes in the form of perturbations. It was determined that the statistical analysis methods developed at UNT Center for Nonlinear Science can be used to detect the effects of seasonality on the data obtained from Poisson/non-Poisson renewal systems. It is proved that a perturbed Poisson process can serve as a paradigmatic model for a case where seasonality is correlated to the noise and that diffusion entropy method can be utilized in revealing this relation. A renewal model making a connection with the stochastic resonance phenomena is used to analyze a previous neurological experiment, and it was shown that under the effect of a nonlinear perturbation, a non-Poisson system statistics may make a transition and end up in the of Poisson basin of statistics. I determine that nonlinear perturbation of the power index for a complex system will lead to a change in the complexity characteristics of the system, i.e., the system will reach ...

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### Carbon Nanotube/Microwave Interactions and Applications to Hydrogen Fuel Cells.

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**Date:**May 2004

**Creator:**Imholt, Timothy James

**Description:**One of the leading problems that will be carried into the 21st century is that of alternative fuels to get our planet away from the consumption of fossil fuels. There has been a growing interest in the use of nanotechnology to somehow aid in this progression. There are several unanswered questions in how to do this. It is known that carbon nanotubes will store hydrogen but it is unclear how to increase that storage capacity and how to remove this hydrogen fuel once stored. This document offers some answers to these questions. It is possible to implant more hydrogen in a nanotube sample using a technique of ion implantation at energy levels ~50keV and below. This, accompanied with the rapid removal of that stored hydrogen through the application of a microwave field, proves to be one promising avenue to solve these two unanswered questions.

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### Characterization, Properties and Applications of Novel Nanostructured Hydrogels.

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**Date:**December 2006

**Creator:**Tang, Shijun

**Description:**The characterization, properties and applications of the novel nanostructured microgel (nanoparticle network and microgel crystal) composed of poly-N-isopropylacrylanmide-co-allylamine (PNIPAM-co-allylamine) and PNIPAM-co-acrylic acid(AA) have been investigated. For the novel nanostructured hydrogels with the two levels of structure: the primary network inside each individual particle and the secondary network of the crosslinked nanoparticles, the new shear modulus, drug release law from hydrogel with heterogeneous structure have been studied. The successful method for calculating the volume fraction related the phase transition of colloid have been obtained. The kinetics of crystallization in an aqueous dispersion of PNIPAM particles has been explored using UV-visible transmission spectroscopy. This dissertation also includes the initial research on the melting behavior of colloidal crystals composed of PNIPAM microgels. Many new findings in this study area have never been reported before. The theoretical model for the columnar crystal growth from the top to bottom of PNIPAM microgel has been built, which explains the growth mechanism of the novel columnar hydrogel colloidal crystals. Since the unique structure of the novel nanostructured hydrogels, their properties are different with the conventional hydrogels and the hard-sphere-like system. The studies and results in this dissertation have the important significant for theoretical study and valuable application ...

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### Magnetotransport Properties of AlxIn1-xAsySb1-y/GaSb and Optical Properties of GaAs1-xSbx

**Date:**May 2003

**Creator:**Lukic- Zrnic, Reiko

**Description:**Multilayer structures of AlxIn1-xAsySb1-y/GaSb (0.37 £ x £ 0.43, 0.50 £ y £ 0.52), grown by molecular beam epitaxy on GaSb (100) substrates were characterized using variable temperature Hall and Shubnikov-de Haas techniques. For nominally undoped structures both p and n-type conductivity was observed. The mobilities obtained were lower than those predicted by an interpolation method using the binary alloys; therefore, a detailed analysis of mobility versus temperature data was performed to extract the appropriate scattering mechanisms. For p-type samples, the dominant mechanism was ionized impurity scattering at low temperatures and polar optical phonon scattering at higher temperatures. For n-type samples, ionized impurity scattering was predominant at low temperatures, and electron-hole scattering dominated for both the intermediate and high temperature range. Analyses of the Shubnikov-de Haas data indicate the presence of 2-D carrier confinement consistent with energy subbands in GaAszSb1-z potential wells. Epilayers of GaAs1-xSbx (0.19<x<0.71), grown by MBE on semi-insulating GaAs with various substrate orientations, were studied by absorption measurements over the temperature range of 4-300 K. The various substrate orientations were chosen to induce different degrees of spontaneous atomic ordering. The temperature dependence of the energy gap (Eg) for each of these samples was modeled using three semi-empirical ...

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### Ion-Induced Damage In Si: A Fundamental Study of Basic Mechanisms over a Wide Range of Implantation Conditions

**Date:**May 2006

**Creator:**Roth, Elaine Grannan

**Description:**A new understanding of the damage formation mechanisms in Si is developed and investigated over an extended range of ion energy, dose, and irradiation temperature. A simple model for dealing with ion-induced damage is proposed, which is shown to be applicable over the range of implantation conditions. In particular the concept of defect "excesses" will be discussed. An excess exists in the lattice when there is a local surplus of one particular type of defect, such as an interstitial, over its complimentary defect (i.e., a vacancy). Mechanisms for producing such excesses by implantation will be discussed. The basis of this model specifies that accumulation of stable lattice damage during implantation depends upon the excess defects and not the total number of defects. The excess defect model is validated by fundamental damage studies involving ion implantation over a range of conditions. Confirmation of the model is provided by comparing damage profiles after implantation with computer simulation results. It will be shown that transport of ions in matter (TRIM) can be used effectively to model the ion-induced damage profile, i.e. excess defect distributions, by a simple subtraction process in which the spatially correlated defects are removed, thereby simulating recombination. Classic defect studies ...

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### Investigation of Selected Optically-Active Nanosystems Fashioned using Ion Implantation

**Date:**May 2006

**Creator:**Mitchell, Lee

**Description:**Opto-electronic semiconductor technology continues to grow at an accelerated pace, as the industry seeks to perfect devices such as light emitting diodes for purposes of optical processing and communication. A strive for greater efficiency with shrinking device dimensions, continually pushes the technology from both a design and materials aspect. Nanosystems such a quantum dots, also face new material engineering challenges as they enter the realm of quantum mechanics, with each system and material having markedly different electronic properties. Traditionally, the semiconductor industry has focused on materials such Group II-VI and III-V compounds as the basis material for future opto-electronic needs. Unfortunately, these material systems can be expensive and have difficulties integrating into current Si-based technology. The industry is reluctant to leave silicon due in part to silicon's high quality oxide, and the enormous amount of research invested into silicon based circuit fabrication. Although recently materials such as GaN are starting to dominate the electro-optical industry since a Si-based substitute has not been found. The purpose of the dissertation was to examine several promising systems that could be easily integrated into current Si-based technology and also be produced using simple inexpensive fabrication techniques such ion implantation. The development of optically active ...

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### A Novel Process for GeSi Thin Film Synthesis

**Date:**December 2007

**Creator:**Hossain, Khalid

**Description:**A unique process of fabricating a strained layer GexSi1-x on insulator is demonstrated. Such strained heterostructures are useful in the fabrication of high-mobility transistors. This technique incorporates well-established silicon processing technology e.g., ion implantation and thermal oxidation. A dilute GeSi layer is initially formed by implanting Ge+ into a silicon-on-insulator (SOI) substrate. Thermal oxidation segregates the Ge at the growing oxide interface to form a distinct GexSi1-x thin-film with a composition that can be tailored by controlling the oxidation parameters (e.g. temperature and oxidation ambient). In addition, the film thickness can be controlled by implantation fluence, which is important since the film forms pseudomorphically below 2×1016 Ge/cm2. Continued oxidation consumes the underlying Si leaving the strained GeSi film encapsulated by the two oxide layers, i.e. the top thermal oxide and the buried oxide. Removal of the thermal oxide by a dilute HF etch completes the process. Strain relaxation can be achieved by either of two methods. One involves vacancy injection by ion implantation to introduce sufficient open-volume within the film to compensate for the compressive strain. The other depends upon the formation of GeO2. If Ge is oxidized in the absence of Si, it evaporates as GeO(g) resulting in spontaneous ...

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### Anderson Localization in Two-Channel Wires with Correlated Disorder: DNA as an Application

**Date:**December 2007

**Creator:**Bagci, V. M. Kemal

**Description:**This research studied the Anderson localization of electrons in two-channel wires with correlated disorder and in DNA molecules. It involved an analytical calculation part where the formula for the inverse localization length for electron states in a two-channel wire is derived. It also involved a computational part where the localization length is calculated for some DNA molecules. Electron localization in two-channel wires with correlated disorder was studied using a single-electron tight-binding model. Calculations were within second-order Born-approximation to second-order in disorder parameters. An analytical expression for localization length as a functional of correlations in potentials was found. Anderson localization in DNA molecules were studied in single-channel wire and two-channel models for electron transport in DNA. In both of the models, some DNA sequences exhibited delocalized electron states in their energy spectrum. Studies with two-channel wire model for DNA yielded important link between electron localization properties and genetic information.

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### Mechanism and the Effect of Microwave-Carbon Nanotube Interaction

**Date:**December 2005

**Creator:**Ye, Zhou

**Description:**A series of experimental results about unusual heating of carbon nanotubes by microwaves is analyzed in this dissertation. Two of vibration types, cantilever type (one end is fixed and the other one end is free), the second type is both ends are fixed, have been studied by other people. A third type of forced vibration of carbon nanotubes under an alternating electromagnetic field is examined in this paper. Heating of carbon nanotubes (CNTs) by microwaves is described in terms of nonlinear dynamics of a vibrating nanotube. Results from the model provide a way to understand several observations that have been made. It is shown that transverse vibrations of CNTs during microwave irradiation can be attributed to transverse parametric resonance, as occurs in the analysis of Melde's experiment on forced longitudinal vibrations of a stretched elastic string. For many kinds of carbon nanotubes (SWNT, DWNT, MWNT, ropes and strands) the resonant parameters are found to be located in an unstable region of the parameter space of Mathieu's equation. Third order wave equations are used to qualitatively describe the effects of phonon-phonon interactions and energy transfer from microwaves to CNTs. This result provides another way to input energy from microwaves to carbon ...

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### Decoherence, Master Equation for Open Quantum Systems, and the Subordination Theory

**Date:**August 2005

**Creator:**Giraldi, Filippo

**Description:**This thesis addresses the problem of a form of anomalous decoherence that sheds light into the spectroscopy of blinking quantum dots. The system studied is a two-state system, interacting with an external environment that has the effect of establishing an interaction between the two states, via a coherence generating coupling, called inphasing. The collisions with the environment produce also decoherence, named dephasing. Decoherence is interpreted as the entanglement of the coherent superposition of these two states with the environment. The joint action of inphasing and dephasing generates a Markov master equation statistically equivalent to a random walker jumping from one state to the other. This model can be used to describe intermittent fluorescence, as a sequence of "light on" and "light off" states. The experiments on blinking quantum dots indicate that the sojourn times are distributed with an inverse power law. Thus, a proposal to turn the model for Poisson fluorescence intermittency into a model for non-Poisson fluorescence intermittency is made. The collision-like interaction of the two-state system with the environment is assumed to takes place at random times rather than at regular times. The time distance between one collision and the next is given by a distribution, called the ...

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### Chaos and Momentum Diffusion of the Classical and Quantum Kicked Rotor

**Date:**August 2005

**Creator:**Zheng, Yindong

**Description:**The de Broglie-Bohm (BB) approach to quantum mechanics gives trajectories similar to classical trajectories except that they are also determined by a quantum potential. The quantum potential is a "fictitious potential" in the sense that it is part of the quantum kinetic energy. We use quantum trajectories to treat quantum chaos in a manner similar to classical chaos. For the kicked rotor, which is a bounded system, we use the Benettin et al. method to calculate both classical and quantum Lyapunov exponents as a function of control parameter K and find chaos in both cases. Within the chaotic sea we find in both cases nonchaotic stability regions for K equal to multiples of π. For even multiples of π the stability regions are associated with classical accelerator mode islands and for odd multiples of π they are associated with new oscillator modes. We examine the structure of these regions. Momentum diffusion of the quantum kicked rotor is studied with both BB and standard quantum mechanics (SQM). A general analytical expression is given for the momentum diffusion at quantum resonance of both BB and SQM. We obtain agreement between the two approaches in numerical experiments. For the case of nonresonance the ...

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### Brownian Movement and Quantum Computers

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**Date:**December 2004

**Creator:**Habel, Agnieszka

**Description:**This problem in lieu of thesis is a discussion of two topics: Brownian movement and quantum computers. Brownian movement is a physical phenomenon in which the particle velocity is constantly undergoing random fluctuations. Chapters 2, 3 and 4, describe Brownian motion from three different perspectives. The next four chapters are devoted to the subject of quantum computers, which are the signal of a new era of technology and science combined together. In the first chapter I present to a reader the two topics of my problem in lieu of thesis. In the second chapter I explain the idea of Brownian motion, its interpretation as a stochastic process and I find its distribution function. The next chapter illustrates the probabilistic picture of Brownian motion, where the statistical averages over trajectories are related to the probability distribution function. Chapter 4 shows how to derive the Langevin equation, introduced in chapter 1, using a Hamiltonian picture of a bath with infinite number of harmonic oscillators. The chapter 5 explains how the idea of quantum computers was developed and how step-by-step all the puzzles for the field of quantum computers were created. The next chapter, chapter 6, discus the basic quantum unit of information ...

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### Non-Poissonian statistics, aging and "blinking'" quantum dots.

**Date:**August 2004

**Creator:**Aquino, Gerardo

**Description:**This dissertation addresses the delicate problem of aging in complex systems characterized by non-Poissonian statistics. With reference to a generic two-states system interacting with a bath it is shown that to properly describe the evolution of such a system within the formalism of the continuous time random walk (CTRW), it has to be taken into account that, if the system is prepared at time t=0 and the observation of the system starts at a later time ta>0, the distribution of the first sojourn times in each of the two states depends on ta, the age of the system. It is shown that this aging property in the fractional derivative formalism forces to introduce a fractional index depending on time. It is shown also that, when a stationary condition exists, the Onsager regression principle is fulfilled only if the system is aged and consequently if an infinitely aged distribution for the first sojourn times is adopted in the CTRW formalism used to describe the system itself. This dissertation, as final result, shows how to extend to the non-Poisson case the Kubo Anderson (KA) lineshape theory, so as to turn it into a theoretical tool adequate to describe the time evolution of ...

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### Random growth of interfaces: Statistical analysis of single columns and detection of critical events.

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**Date:**August 2004

**Creator:**Failla, Roberto

**Description:**The dynamics of growth and formation of surfaces and interfaces is becoming very important for the understanding of the origin and the behavior of a wide range of natural and industrial dynamical processes. The first part of the paper is focused on the interesting field of the random growth of surfaces and interfaces, which finds application in physics, geology, biology, economics, and engineering among others. In this part it is studied the random growth of surfaces from within the perspective of a single column, namely, the fluctuation of the column height around the mean value, which is depicted as being subordinated to a standard fluctuation-dissipation process with friction g. It is argued that the main properties of Kardar-Parisi-Zhang theory are derived by identifying the distribution of return times to y(0) = 0, which is a truncated inverse power law, with the distribution of subordination times. The agreement of the theoretical prediction with the numerical treatment of the model of ballistic deposition is remarkably good, in spite of the finite size effects affecting this model. The second part of the paper deals with the efficiency of the diffusion entropy analysis (DEA) when applied to the studies of stromatolites. In this case ...

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### Surface Segregation in Multi-component Systems: Modeling Binary Ni-Al Alloys Using the BFS Method

**Date:**August 2004

**Creator:**Kasmi, Azeddine

**Description:**Although the study of surface segregation has a great technological importance, the work done in the field was for a long time largely restricted to experimental studies and the theoretical work was neglected. However, recent improvements in both first principles and semi-empirical methods are opening a new era for surface scientists. A method developed by Bozzolo, Ferrante, and Smith (BFS) is particularly suitable for complex systems and several aspects of the computational modeling of surfaces and segregation, including alloy surface segregation, structure and composition of alloy surfaces and the formation of surface alloys. In the following work I introduce the BFS method and apply it to model the Ni-Al alloy through a Monte-Carlo simulation. A comparison between my results and those results published by the group mentioned above was my goal. This thesis also includes a detailed explanation of the application of the BFS method to surfaces of multi-component metallic systems, beyond binary alloys.

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