Unique Type II Halogen center dot center dot center dot Halogen Interactions in Pentafluorophenyl-Appended 2,2 `-Bithiazoles

Herein, we report the design and synthesis of 2,2'-bithiazole derivatives with efficient intermolecular halogen interactions. The single crystal X-ray diffraction studies revealed unique type-II halogen interactions in these derivatives. The shortest type-II F center dot center dot center dot F interactions within the distance of 2.67 angstrom, at an angle of 89.1 degrees and 174.2 degrees, was observed for the first time. The Gaussian calculations were performed to further establish predominant F center dot center dot center dot F interactions.

On the zeta function of a periodic-finite-type shift

Periodic-finite-type shifts (PFT's) are sofic shifts which forbid the appearance of finitely many pre-specified words in a periodic manner. The class of PFT's strictly includes the class of shifts of finite type (SFT's). The zeta function of a PET is a generating function for the number of periodic sequences in the shift. For a general sofic shift, there exists a formula, attributed to Manning and Bowen, which computes the zeta function of the shift from certain auxiliary graphs constructed from a presentation of the shift. In this paper, we derive an interesting alternative formula computable from certain ``word-based graphs'' constructed from the periodically-forbidden word description of the PET. The advantages of our formula over the Manning-Bowen formula are discussed.

Iterated stochastic filters with additive updates for dynamic system identification: Annealing-type iterations and the filter bank

A nonlinear stochastic filtering scheme based on a Gaussian sum representation of the filtering density and an annealing-type iterative update, which is additive and uses an artificial diffusion parameter, is proposed. The additive nature of the update relieves the problem of weight collapse often encountered with filters employing weighted particle based empirical approximation to the filtering density. The proposed Monte Carlo filter bank conforms in structure to the parent nonlinear filtering (Kushner-Stratonovich) equation and possesses excellent mixing properties enabling adequate exploration of the phase space of the state vector. The performance of the filter bank, presently assessed against a few carefully chosen numerical examples, provide ample evidence of its remarkable performance in terms of filter convergence and estimation accuracy vis-a-vis most other competing filters especially in higher dimensional dynamic system identification problems including cases that may demand estimating relatively minor variations in the parameter values from their reference states. (C) 2014 Elsevier Ltd. All rights reserved.

Diagonal forms, linear algebraic methods and Ramsey-type problems

This thesis focuses mainly on linear algebraic aspects of combinatorics. Let N_t(H) be an incidence matrix with edges versus all subhypergraphs of a complete hypergraph that are isomorphic to H. Richard M. Wilson and the author find the general formula for the Smith normal form or diagonal form of N_t(H) for all simple graphs H and for a very general class of t-uniform hypergraphs H.

As a continuation, the author determines the formula for diagonal forms of integer matrices obtained from other combinatorial structures, including incidence matrices for subgraphs of a complete bipartite graph and inclusion matrices for multisets.

One major application of diagonal forms is in zero-sum Ramsey theory. For instance, Caro's results in zero-sum Ramsey numbers for graphs and Caro and Yuster's results in zero-sum bipartite Ramsey numbers can be reproduced. These results are further generalized to t-uniform hypergraphs. Other applications include signed bipartite graph designs.

Research results on some other problems are also included in this thesis, such as a Ramsey-type problem on equipartitions, Hartman's conjecture on large sets of designs and a matroid theory problem proposed by Welsh.

Modified formula of Malus' law for Glan-Taylor polarizing prisms

A simple three-axis model has been developed, which has been successfully applied to the analysis of the light transmittance in spatial incident angle and the simulation of modified formula of Malus' law for Glan-Taylor prisms. Our results indicate that the fluctuations on the cosine squared curve are due to specific misalignments between the axis of the optical system, the optical axis of the prism and the mechanical axis (rotation axis) of prism, which results in the fact that different initial relative location of the to-be-measured-prism in the testing system corresponds to different shape of Malus' law curve. Methods to get absolutely smooth curve are proposed. This analysis is available for other kinds of Glan-type prisms. (C) 2004 Elsevier B.V. All rights reserved.

Estudio del comportamiento aerodinámico de un alerón trasero de un monoplaza tipo Formula Student

[ES]El proyecto investigador tiene el objeto el estudio del comportamiento de un perfil aerodinámico frente a un flujo turbulento, en este caso el aire. Se trata de evaluar las presiones que se ejercen sobre dicho perfil, que será un alerón de monoplaza tipo Formula Student, para comprobar si aporta alguna mejora en el comportamiento del monoplaza la introducción de este paquete aerodinámico. Con la introducción de este perfil en el monoplaza se pretende ganar un mayor agarre en el paso por curva siendo la resistencia al avance en recta la mínima posible, ya que lo que se pretende es hacer el recorrido del circuito en el menor tiempo posible. Por tanto hay dos variables a tener en cuenta a la hora de diseñar el alerón, por un lado esta mejorar el agarre de los neumáticos sobre el asfalto al tomar una curva, lo que nos permitirá tomar la curva a mayor velocidad y por tanto en menos tiempo, y por otro lado, la oposición que el alerón ejerce en el avance en recta disminuyendo su velocidad máxima. En resumen, se trata de comparar la fuerza horizontal y la fuerza vertical que el aire ejerce sobre el perfil aerodinámico a introducir en el monoplaza y evaluar si es beneficioso para este, es decir, si añadiendo dicho perfil se realiza el trazado del circuito en menor tiempo que sin él. Para ello se realizarán simulaciones con un software de modelado físico de flujos y turbulencias sobre un diseño de un alerón dado, con diferentes tipos de flujo, de forma que se asemeje de mejor forma a las condiciones de la pista y se obtendrán los resultados de las presiones que el flujo de aire ejerce sobre las superficies del perfil. Después se obtendrán las fuerzas puntuales vertical y horizontal y se analizaran los datos obtenidos. Deberán tenerse en cuenta, además de los resultados obtenidos, los materiales a emplear a la hora de su fabricación, el proceso de dicha fabricación y el coste que supone tanto el proceso como los materiales empleados.

Effects of coherence on anisotropic electromagnetic Gaussian-Schell model beams on propagation

An analytical formula for the cross-spectral density matrix of the electric field of anisotropic electromagnetic Gaussian-Schell model beams propagating in free space is derived by using a tensor method. The effects of coherence on those beams are studied. It is shown that two anisotropic stochastic electromagnetic beams that propagate from the source plane z = 0 into the half-space z > 0 may have different beam shapes (i.e., spectral density) and states of polarization in the half-space, even though they have the same beam shape and states of polarization in the source plane. This fact is due to a difference in the coherence properties of the field in the source plane. (C) 2007 Optical Society of America.

Numerical analysis and comparison of three metal-oxide-type super-resolution near field structures

Based on the Fresnel-Kirchkoff diffraction theory, we build up a Gaussian diffraction model of metal-oxide-type super-resolution near field structure (super-RENS), which can describe far field optical properties. The spectral contrast induced by refractive index and the structural changes in AgOx, PtOx and PdOx thin films, which are the key functional layers in super-RENS, are studied by using this model. Comparison results indicate that the spectral contrast intensively on laser-induced distribution and change of the refractive index in the metal-oxide films. The readout mechanism of the metal-oxide-type super-RENS optical disc is further clarified. This Gaussian diffraction model can be used as a simple and effective method for choosing proper active materials in super-RENS.

Propagation properties of off-axis Hermite-cosh-Gaussian beam combinations through a first-order optical system

Based on the Collins integral formula, the analytic expressions of propagation of the coherent and the incoherent off-axis Hermite-cosh-Gaussian (HChG) beam combinations with rectangular symmetry passing through a paraxial first-order optical system are derived, and corresponding numerical examples are given and analysed. The resulting beam quality is discussed in terms of power in the bucket (PIB). The study suggests that the resulting beam cannot keep the initial intensity shape during the propagation and the beam quality for coherent mode is not always better than that for incoherent mode. Reviewing the numerical simulations of Gaussian, Hermite-Gaussian (HG) and cosh Gaussian (ChG) beam combinations indicates that the Hermite polynomial exerts a chief influence on the irradiance profile of composite beam and far field power concentration.

The Gaussian mixture MCMC particle algorithm for dynamic cluster tracking

We present a novel filtering algorithm for tracking multiple clusters of coordinated objects. Based on a Markov chain Monte Carlo (MCMC) mechanism, the new algorithm propagates a discrete approximation of the underlying filtering density. A dynamic Gaussian mixture model is utilized for representing the time-varying clustering structure. This involves point process formulations of typical behavioral moves such as birth and death of clusters as well as merging and splitting. For handling complex, possibly large scale scenarios, the sampling efficiency of the basic MCMC scheme is enhanced via the use of a Metropolis within Gibbs particle refinement step. As the proposed methodology essentially involves random set representations, a new type of estimator, termed the probability hypothesis density surface (PHDS), is derived for computing point estimates. It is further proved that this estimator is optimal in the sense of the mean relative entropy. Finally, the algorithm's performance is assessed and demonstrated in both synthetic and realistic tracking scenarios. © 2012 Elsevier Ltd. All rights reserved.

Classification using log Gaussian Cox processes

McCullagh and Yang (2006) suggest a family of classification algorithms based on Cox processes. We further investigate the log Gaussian variant which has a number of appealing properties. Conditioned on the covariates, the distribution over labels is given by a type of conditional Markov random field. In the supervised case, computation of the predictive probability of a single test point scales linearly with the number of training points and the multiclass generalization is straightforward. We show new links between the supervised method and classical nonparametric methods. We give a detailed analysis of the pairwise graph representable Markov random field, which we use to extend the model to semi-supervised learning problems, and propose an inference method based on graph min-cuts. We give the first experimental analysis on supervised and semi-supervised datasets and show good empirical performance.

Characterization of recombination centres in n-type Hg1-xCdxTe

The defect levels in Hg1-xCdxTe P+N junction photodiodes (x = 0.4) were first studied using deep-level transient spectroscopy. Two electron traps, E(1)(0.06) and E(2)(0.15), and two hole traps, H-1(0.075) and H-2(0.29), were obtained, Characteristic parameters-the minority lifetime of the devices and the dynamic resistance-area product at zero bias-are estimated according to these levels. Results show that these two minority levels may be important in controlling lifetime. We have studied the recombination mechanism of the hole trap H-2(0.29) further. It has a large activation energy and satisfies the formula sigma(T) = sigma(x) exp(-E(F)/E(T)). This reflects the fact that its recombination mechanism is multiphonon nonradiative recombination, which is rarely reported in narrow-bandgap materials.

Characteristics of beam profile of Gaussian beam passing through an axicon

Bessel beam can overcome the limitation of the Rayleigh range of Gaussian beam with the same spot size propagation without any spreading due to diffraction, which is considered as an useful function in guiding particles in the next generation of optical tweezers. The mathematical description of the Bessel beam generated by an axicon is usually based on the Fresnel diffraction integral theory. In this paper, we deduce another type of analytic expression suitable for describing the beam profile generated from the axicon illuminated by the Gaussian beam based on the interferential theory. Compared with the Fresnel diffraction integral theory, this theory does not use much approximation in the process of mathematical analysis. According to the derived expression, the beam intensity profiles at any positions behind the axicon can be calculated not just restricted inside the cross region as the Fresnel diffraction integral theory gives. The experiments prove that the theoretical results fit the experimental results very well. (C) 2004 Elsevier B.V. All rights reserved.

Hydrothermal synthesis, crystal structure and electrochemical properties of a novel 3D Dawson-type polyoxometalate supramolecular network

A novel Dawson-type polyoxometalate supramolecular architecture of the formula [4,4'-H(2)bipy](2.5)center dot[4,4'-Hbipy]center dot[P2W18O62]center dot 6.25H(2)O (4,4'-bipy = 4,4'-bipyridine) has been hydrothermally synthesised and characterised by means of elemental analysis, IR, CV and X-ray single-crystal diffraction. X-ray crystallography indicates that the title compound consists of Dawson-type polyoxoaions [P2W18O62](6-), water molecules and 4,4'-bipy units. The polyoxoanion clusters together with 4,4'-bipy units and water molecules to construct the three-dimensional supramolecular network through hydrogen bonds. The crystal structure analyses reveal that water molecules and 4,4'-bipy units play the important role on the packing arrangements of crystals. Cyclic voltammetry shows that the title compound exhibits three chemically reversible steps

Evaluation of bond covalency and bond valence in Sr-doped perovskite-type compounds

Formulas for decomposing of complex crystals to a sum of binary crystals are described and applied to the study of bond covalency in La1-xSrxFeO3 (0.0 less than or equal to x less than or equal to 0.9) and Ca1-xSrxMnO3 (0.0 less than or equal to x less than or equal to 0.5). The bond valence is treated by bond-valence sums scheme. The results indicate that, for both compounds, with the increasing doping level, the bond covalency and bond valence show the same trend, namely, larger bond covalency corresponds to higher bond valence. For La1-xSrxFeO3, with the increase of doping level, the bond covalency of La-O, Ca-O decreases in the orthorhombic (0.0 less than or equal to x less than or equal to 0.2) and rhombohedral (0.4 less than or equal to x less than or equal to 0.7) systems, then increases slightly for the cubic (0.8 less than or equal to x less than or equal to 0.9) system, but that of Fe-O increases for all crystal systems. A sharp decrease in bond covalency was observed where the crystal changes from orthorhombic to rhombohedral, while a smooth trend was seen for the rhombohedral-to-cubic transition. On the other hand, for orthorhombic Ca1-xSrxMnO3, the bond covalency of Ca-O, Sr-O, and Mn-O (4-coordinate site) decreases with the increasing doping level, that of Mn-O (2-coordinate site) increases.