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Part I: The Theory of Brownian Vacancy Driven Walk We analyze the lattice walk performed by a tagged member of an infinite 'sea' of particles filling a d-dimensional lattice, in the presence of a single vacancy. The vacancy is allowed to be occupied with probability 1/2d by any of its 2d nearest neighbors, so that it executes a Brownian walk. Particle-particle exchange is forbidden; the only interaction between them being hard core exclusion. Thus, the tagged particle, differing from the others only by its tag, moves only when it exchanges places with the hole. In this sense, it is a random walk "driven" by the Brownian vacancy. The probability distributions for its displacement and for the number of steps taken, after n-steps of the vacancy, are derived. Neither is a Gaussian! We also show that the only nontrivial dimension where the walk is recurrent is d=2. As an application, we compute the expected energy shift caused by a Brownian vacancy in a model for an extreme anisotropic binary alloy. In the last chapter we present a Monte-Carlo study and a mean-field analysis for interface erosion caused by mobile vacancies. Part II: One-Dimensional Periodic Hopping Models with Broken Translational Invariance.Case of a Mobile Directional Impurity We study a random walk on a one-dimensional periodic lattice with arbitrary hopping rates. Further, the lattice contains a single mobile, directional impurity (defect bond), across which the rate is fixed at another arbitrary value. Due to the defect, translational invariance is broken, even if all other rates are identical. The structure of Master equations lead naturally to the introduction of a new entity, associated with the walker-impurity pair which we call the quasi-walker. Analytic solution for the distributions in the steady state limit is obtained. The velocities and diffusion constants for both the random walker and impurity are given, being simply related to that of the quasi-particle through physically meaningful equations. As an application, we extend the Duke-Rubinstein reputation model of gel electrophoresis to include polymers with impurities and give the exact distribution of the steady state. / Ph. D.

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International Telemetering Conference Proceedings / October 20-23, 2003 / Riviera Hotel and Convention Center, Las Vegas, Nevada / Phase-locked loop (PLL) frequency synthesizers used for high-speed data transmission must rapidly hop and lock to new frequencies. The fundamental problem is that the settling time depends inversely on the loop bandwidth, and increasing the bandwidth causes unwanted noise interference and stability problems for the circuit. We demonstrate the feasibility of replacing the analog integrator in the PLL with a digital integrator. This circuit has advantages of increased hopping speed, ability to compensate for temperature drift and system stability. PLL lock-in was demonstrated in a prototype circuit designed and built with both discrete components and with a programmable logic device.

In this thesis investigations into chemically modified graphene structures are presented. Chemical functionalization of graphene is the chemical attachment of molecules or atoms to the graphene surface via covalent or Van der Waals bonds, this process offers a unique way to tailor the properties of graphene to make it useful for a wide range of device applications. One type of chemical functionalization presented in this thesis is fluorination of graphene which is the covalent attachment of fluorine to the carbon atoms of graphene and the resultant material is fluorographene which is a wide band-gap semiconductor. For low fluorine coverage the low temperature electron transport is through localized states due to the presence of disorder induced sub-gap states. For high fluorine coverage the electron transport can be explained by a lightly doped semiconductor model where transport is through thermal activation across an energy gap between an impurity and conduction bands. On the other hand, at low temperatures the disorder induced sub-gap density of states dominates the electrical properties, and the conduction takes place via hopping through these localized states. In this thesis it is also shown that electron beam irradiation can be used to tune the coverage of fluorine adatoms and therefore control energy gap between the impurity and conduction bands. Futhermore, electron beam irradiation also offers a valuable way to pattern conductive structures in fluorinated graphene \textit{via} the irradiation-induced dissociation of fluorine from the fluorinated graphene. This technique can be extended to the patterning of semiconducting nano-ribbons in fluorinated graphene where the spatial localization of electrons is just a few nm. The second type of chemical functionalization presented in this thesis is the intercalation of few layer graphene with ferric chloride which greatly enhances the electrical conductivity of few layer graphene materials making them the best known transparent conductors.

In this thesis a variety of topics concerning 2D materials that have been separated from bulk layered crystals are discussed. Throughout the thesis, single and few layers of graphene, fluorinated graphene, MoS2 and WS2 are used. Two new methods of freely suspending 2D materials are presented as well as a method of removing the background from optical images. This aids contrast measurements for the determination of the number of layers. Fluorinated graphene is found to be sensitive to beta radiation; the resistance of fluorinated graphene transistors is shown to decrease upon exposure to the radiation. This happens due to the carbon-fluorine bond breaking. The sp3 hybridised structure of the fluorinated graphene is reduced back into the sp2 hybridised structure of pristine graphene. The superconducting properties of molybdenum-rhenium are characterised. It is shown to have a transition temperature of 7.5 K. It is also discovered that the material has a resistance to hydrofluoric acid; the acid etches nearly all other superconducting materials. This makes MoRe a possible candidate to explore superconductivity in conjunction with high mobility suspended graphene. To see if the material is compatible with graphene, a supported Josephson junction is fabricated. A proximity induced super current is sustained through the junction up to biases of ∼ 200 nA. The temperature dependence of the conductivity is measured for both suspended MoS2 and WS2 on a hexagonal boron nitride substrate. The dominant hopping mechanism that contributes to the conductivity at low temperatures is found to be Mott variable range hopping, with the characteristic T−1/3 dependence. The hopping transport is due to impurities that are intrinsic to the crystals, this is confirmed by comparing the results with those of supported devices on SiO2.

Clusters e nanoclusters têm recebido grande atenção devido à suas propriedades físicas e químicas, as quais divergem bastante dos materiais na fase bulk. Essas propriedades podem variar de acordo com a composição e tamanho do cluster. Uma compreensão da evolução das propriedades em relação a estes parâmetros é de grande importância para potencializar diversas aplicações, entretanto, esse entendimento permanece insatisfatório. Este trabalho foi dividido em duas etapas, em que a primeira busca investigar parâmetros energéticos, por meio do cálculo da energia de excesso, e estruturais, analisando parâmetro de ordem química, função de distribuição radial central, comprimento médio de ligação e número de coordenação efetiva, dos sistemas ZrnCum-n, ZrnAlm-n, CunAlm-n e ZrnCunAlm-2n para n = 55 e 561 átomos com o incremento n tomado de 1 em 1 para o sistema de 55 átomos e de 20 em 20 para os sistemas de 561 átomos. A segunda etapa consiste de investigar como variam as propriedades energéticas e estruturais do sistema ZrCu em função da evolução do tamanho do sistema. Para alcançar os objetivos propostos, neste trabalho foi usado o algoritmo de otimização global de clusters e nanopartículas basin-hopping Monte Carlo revisado. O potencial de interação atômica utilizado é o método do átomo imerso, que é bastante utilizado na descrição de sistemas metálicos. Os resultados obtidos sugerem que: (i) os sistemas puros apresentaram energia de coesão mais alta que seu análogo material na fase bulk, sugerindo que estes tendem a aglomerar-se formando estruturas bulk. Para os sistemas binários e ternários, foi identificado que todas as composições são energeticamente estáveis devido aos valores negativos obtidos pelo excesso de energia e, para o sistema ZrCu verificou-se a presença de efeitos de tamanho. (ii) Com relação à estrutura, as composições puras estudadas apresentaram simetria icosaédrica. Para o estudo da evolução do tamanho do sistema, Zr e Cu apresentaram estrutura com simetria icosaédrica até a composição de 561 átomos, além deste tamanho a simetria icosaédrica é quebrada. Para os sistemas binários e ternários foi obtido que os átomos tendem a distribuir-se dentro do nanocluster além de apresentarem quebra da simetria icosaédrica apresentando ausência de camadas atômicas ordenadas acompanhada de redução da coordenação efetiva. Os sistemas ZrCu e ZrAl demonstraram seguir a lei de Vegard, enquanto que os sistemas CuAl e ZrCuAl apresentaram desvio da lei de Vegard providos por efeitos eletrônicos, além de apresentarem a presença de efeitos de tamanho. / Clusters and nanocluster have attracted great attention due to their physical and chemical properties, very different from their analogous bulk. These properties can vary with composition and size cluster. An understanding of the properties evolution with respect these parameters is essential to improve several applications. However, this understanding is not complete. This study was piecemeal in two stage, being the first the investigation of energetic properties, by excess energy analisys, and structural properties, by chemical order parameter, radial distribution function, effective coordination number and average bond length, from ZrnCum-n, ZrnAlm-n, CunAlm-n and ZrnCunAlm-2n systems, where n = 55, 561 atoms and the increment n vary in one unit for 55-atoms system and twenty unit for 561-atoms system. The second stage is the investigation of how vary the energetic and structural properties from the size evolution ZrCu system. To do this study, was employed the global optimization algorith for cluster and nanoparticle Revised basin-hopping Monte Carlo, were this method use the classical calculation to determine the total energy of the system. The interatomic potential used was the embedded atom method, that was very usefull to describe metallic systems. Our results suggest: (i) the unary systems present cohesive energy higher than their analogous bulk, that indicate the trend of clusters to form bulk. To the binary and ternary systems, we had that all systems are favorable to form nanoalloys by negative value of excess energy. From ZrCu system, the stability decrease when increase the size of system. With respect the structure, the unary compounds present icosahedral symmetry. From the size-evolution study, the unary compounds present icosahedral symmetry until 561-atoms composition, after this size the icosahedral symmetry is broken. To binary and ternary systems, the atoms trend form mixture into the nanocluster, the icosahedral symmetry is broken with respect the unary compounds and presenting absence of ordered layers followed by effective coordination reduction. The ZrCu and ZrAl systems follow the Vegard law, while the CuAl and ZrCuAl systems present deviation from Vegard law, because electronic effects.

Submitted by JOÃO OLAVO FIGUEIREDO QUELHAS null (olavofq@gmail.com) on 2017-03-29T23:13:49Z No. of bitstreams: 1 João Olavo Quelhas.pdf: 2589215 bytes, checksum: 6917db55e488c1ded8443d00719d55c9 (MD5) / Approved for entry into archive by Luiz Galeffi (luizgaleffi@gmail.com) on 2017-03-30T18:36:37Z (GMT) No. of bitstreams: 1 quelhas_jof_me_sjrp.pdf: 2589215 bytes, checksum: 6917db55e488c1ded8443d00719d55c9 (MD5) / Made available in DSpace on 2017-03-30T18:36:37Z (GMT). No. of bitstreams: 1 quelhas_jof_me_sjrp.pdf: 2589215 bytes, checksum: 6917db55e488c1ded8443d00719d55c9 (MD5) Previous issue date: 2017-03-17 / Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) / O crescimento da produção de cerveja artesanal no Brasil e a consequente utilização de antigas técnicas de produção, como a lupulagem a frio (dry-hopping), esquecida pelas grandes empresas e pouco estudadas, abrem espaço para estudos sobre o melhoramento destas técnicas. Considerando a importância do lúpulo na produção de cerveja, principalmente seu alto teor de compostos considerados bioativos, por exemplo as procianidinas, a lupulagem a frio pode ser uma notável fonte de melhoramento nos aspectos sensoriais da cerveja, assim como no conteúdo de compostos com possíveis benefícios à saúde. Primeiramente, foi analisada a atividade antioxidante, pelos métodos de DPPH e ABTS, de sete variedades de lúpulo (Cascade, Fuggle, Tradition, Saaz, Centennial, Herkules e Magnum), com a finalidade de escolher uma para ser utilizada na lupulagem a frio. O Cascade foi selecionado para utilização na lupulagem a frio, principalmente por ser o atualmente o lúpulo mais produzido e consumido mundialmente. A produção das cervejas se diferenciou apenas na etapa da maturação, onde ela foi dividida em 17 recipientes. Cada cerveja maturou sob diferentes temperaturas (de 0 a 10°C), tempos de contato do lúpulo com a cerveja (de 0 a 20 dias) e concentrações de lúpulo (de 1,5 a 3 gL-1), seguindo um delineamento composto central rotacional, com três repetições do ponto central. As 17 cervejas foram analisadas físico-quimicamente em relação ao extrato original/primitivo, extrato aparente, atenuação aparente, teor alcoólico, amargor, cor, pH, turbidez, compostos fenólicos totais e atividade antioxidante (DPPH e ABTS). Foi realizada também uma análise sensorial, avaliando aceitação pela cor, aroma, sabor e amargor, além da aceitação global. As variáveis analisadas durante a lupulagem a frio não apresentaram influência no produto final em relação as analises físico-químicas e a aceitação sensorial. / The growth of craft beer production in Brazil and the consequent use of old production techniques, such as dry-hopping, forgotten by the large companies and little studied, open space for studies to improve these techniques. Considering the importance of hops in beer production, especially their high content of compounds considered bioactive, for example procyanidins, dry-hopping might be a notable source of improvement in the sensorial aspects of beer, as well as in the content of possible healthy compounds. Firstly, the antioxidant activity of seven hop varieties (Cascade, Fuggle, Tradition, Saaz, Centennial, Herkules e Magnum) was analized by DPPH e ABTS, in order to choose one to be used in the dry-hopping. Among the analyzed hops, the Cascade type was selected and, therefore, used during the dry-hopping process, mainly because it is currently the most produced and consumed hop worldwide. The brewing process was the same until the maturation, when the beer was divided into 17 containers. Each beer matured under different temperatures (from 0 to 10°C), time of contact between beer and hop (from 0 to 20 days) and hop concentration (from 1,5 to 3 gL-1), following a central rotational design, with three replicates of the central point. The 17 beers submitted to physicochemical analysis as original/primitive extract, apparent extract, apparent attenuation, alcohol content, bitterness, color, pH, turbidity, total phenolic compounds and antioxidant activity (DPPH and ABTS). A sensory analysis was also implemented, evaluating the attributes: color, aroma, flavor, bitterness and global acceptance. The variables analyzed during dry-hopping did not show any influence on the final product in the physical-chemical analysis and sensory acceptance.

In this thesis, the resistance switching characteristic of Zn:SiO2 -based memory was studied. The resistive memory was fabricated by sputtering to deposit the Metal/Insulator/Metal (MIM) structure. The top and bottom layers were made by Pt and TiN respectively, and the insulator was Zn:SiO2 grown by co-sputtering with SiO2 and Zinc. We found that doping Zinc into SiO2 insulator induced the resistive switching characteristic. By the treatment of supercritical carbon dioxide (SCCO2) in Zn:SiO2 -based device,the operation current would decrease. In the result of x-ray electron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) , it showed that the defects in Zn:SiO2 thin-film were reduced. And the electric conduction mechanism of low resistance state made a change from ohmic conduction to hopping conduction. To emerge spontaneous phenomenon of hopping conduction, the memory devices were fabricated with a multi-layer structure. In Auger electron spectroscopy (AES), we found the signal of zinc, split into three different kinds of peaks, which met the multi-layer structure. From I-V sweep measurement, the multi-layer structure device could be appeared the spontaneous hopping conduction mechanism. In order to find out the initial state of electric conduction mechanism .We measured the device of Pt/Zn:SiO2/TiN with constant current forming. We found the initial state of electric conduction path out successfully, and it¡¦s operation current below 10 uA.

In our earlier research, we found the MOKE signal incident from 45 degree would cause perpendicular signal to couple with the longitudinal one. To distinguish the signal from one to another, we arranged 45 degree and 0 degree optical setup for the measurement of longitudinal and perpendicular respectively. However, hysteresis loops are only observed in the longitudinal direction. To measure smaller signal in our experiment, we reduced the noise level by one order and thus improved the signal to noise ratio. It¡¦s ten times better then previous result. Under smaller signal or worse S/N ratio condition, we still measured the MOKE signal. In order to quantitatively analyze the current-induced field, we made a metal coil and try to measure the bias produced by the field. And we injected the reverse current-induced field, , try to counteract the bias of hysteresis loop which is induced by sample current. Besides, we also dosed oxygen on the sample and measured the MOKE signal. There was no change comparing with which is measured in gas-free condition. But we found the coercivity became larger after annealing to 300K, and the current-induced bias in oxygen become smaller.