979 resultados para Soft-core potential model


Relevância:

100.00% 100.00%

Publicador:

Resumo:

This thesis contains dynamical analysis on four different scales: the Solar system, the Sun itself, the Solar neighbourhood, and the central region of the Milky Way galaxy. All of these topics have been handled through methods of potential theory and statistics. The central topic of the thesis is the orbits of stars in the Milky Way. An introduction into the general structure of the Milky Way is presented, with an emphasis on the evolution of the observed value for the scale-length of the Milky Way disc and the observations of two separate bars in the Milky Way. The basics of potential theory are also presented, as well as a developed potential model for the Milky Way. An implementation of the backwards restricted integration method is shown, rounding off the basic principles used in the dynamical studies of this thesis. The thesis looks at the orbit of the Sun, and its impact on the Oort cloud comets (Paper IV), showing that there is a clear link between these two dynamical systems. The statistical atypicalness of the orbit of the Sun is questioned (Paper I), concluding that there is some statistical typicalness to the orbit of the Sun, although it is not very significant. This does depend slightly on whether one includes a bar, or not, as a bar has a clear effect on the dynamical features seen in the Solar neighbourhood (Paper III). This method can be used to find the possible properties of a bar. Finally, we look at the effect of a bar on a statistical system in the Milky Way, seeing that there are not only interesting effects depending on the mass and size of the bar, but also how bars can capture disc stars (Paper II).

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Abstract: The study aimed to isolate, expand, differentiate and characterize progenitor cells existent in the dental pulp of agouti. The material was washed with PBS solution and dissociated mechanically with the aid of a scalpel blade on plates containing culture medium D-MEM/F-12, and incubated at 5% CO2-37⁰C. The growth curve, CFU assay, osteogenic/adipogenic differentiation and characterization were obtained from the isolation. The cells began to be released from the explant tissue around the 7th day of culture. By day 22 of culture, cells reached 80% confluence. At the UFC test, 81 colonies were counted with 12 days of cultivation. The growth curves before and after freezing showed a regular growth with intense proliferation and clonogenic potential. The cell differentiation showed formation of osteoblasts and fat in culture, starting at 15 days of culture in a specific medium. Flow cytometry (FACs) was as follows: CD34 (positive), CD14 (negative), CD45 (negative), CD73 (positive), CD79 (negative), CD90 (positive), CD105 (positive), demonstrating high specificity and commitment of isolated cells with mesenchymal stem cells strains. These results suggest the existence of a cell population of stem cells with mesenchymal features from the isolated tissue in the explants of agouti dental pulp, a potential model for study of stem cell strains obtained from the pulp tissue.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Agua Mineral BE Ltda es una empresa dedicada a la extracción, embotellado y comercialización de agua mineral colombiana, originada en las cordilleras de los Andes. Se caracteriza por ser de alta pureza y ser una bebida funcional, que trae beneficios adicionales a la salud por su composición de minerales, oligoelementos y electrolitos. Las condiciones de la empresa resultaron ser muy atractivas para desarrollar una investigación, por otro lado, el dueño y gerente general mostro gran interés en comenzar una investigación y análisis de la situación actual para medir su potencial exportador y posteriormente incursionar en mercados internacionales. Se recolecto toda la información posible de la empresa BE por medio de la encuesta y modelo de potencial exportador donde se evaluaron cada una de las aéreas y procesos dando un puntaje junto con el gerente para determinar en qué estado se encontraba la empresa, cuáles eran sus fortalezas y debilidades para establecer estrategias de mejora en las áreas que lo necesitaran. Los resultados ubicaron a Be como una empresa en condiciones de realizar exportaciones en el mediano plazo. Después de clasificar a BE como una empresa con potencial exportador se inició la inteligencia de mercados para encontrar el mercado objetivo con el que se deberían iniciar las primeras exportaciones y abrir mercado, realizando un proceso de internacionalización exitosa. La elección de este mercado se realizó por medio de la matriz de selección de mercados donde por medio de puntajes y categorías de comparación se fueron descartando países potenciales para así llegar a un solo país clave en donde BE podrá tener un buen posicionamiento y ventajas frente a otras marcas.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

To obtain a state-of-the-art benchmark potential energy surface (PES) for the archetypal oxidative addition of the methane C-H bond to the palladium atom, we have explored this PES using a hierarchical series of ab initio methods (Hartree-Fock, second-order Møller-Plesset perturbation theory, fourth-order Møller-Plesset perturbation theory with single, double and quadruple excitations, coupled cluster theory with single and double excitations (CCSD), and with triple excitations treated perturbatively [CCSD(T)]) and hybrid density functional theory using the B3LYP functional, in combination with a hierarchical series of ten Gaussian-type basis sets, up to g polarization. Relativistic effects are taken into account either through a relativistic effective core potential for palladium or through a full four-component all-electron approach. Counterpoise corrected relative energies of stationary points are converged to within 0.1-0.2 kcal/mol as a function of the basis-set size. Our best estimate of kinetic and thermodynamic parameters is -8.1 (-8.3) kcal/mol for the formation of the reactant complex, 5.8 (3.1) kcal/mol for the activation energy relative to the separate reactants, and 0.8 (-1.2) kcal/mol for the reaction energy (zero-point vibrational energy-corrected values in parentheses). This agrees well with available experimental data. Our work highlights the importance of sufficient higher angular momentum polarization functions, f and g, for correctly describing metal-d-electron correlation and, thus, for obtaining reliable relative energies. We show that standard basis sets, such as LANL2DZ+ 1f for palladium, are not sufficiently polarized for this purpose and lead to erroneous CCSD(T) results. B3LYP is associated with smaller basis set superposition errors and shows faster convergence with basis-set size but yields relative energies (in particular, a reaction barrier) that are ca. 3.5 kcal/mol higher than the corresponding CCSD(T) values

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Background and Aims: Using two parental clones of outcrossing Trifolium ambiguum as a potential model system, we examined how during seed development the maternal parent, number of seeds per pod, seed position within the pod, and pod position within the inflorescence influenced individual seed fresh weight, dry weight, water content, germinability, desiccation tolerance, hardseededness, and subsequent longevity of individual seeds. Methods: Near simultaneous, manual reciprocal crosses were carried out between clonal lines for two experiments. Infructescences were harvested at intervals during seed development. Each individual seed was weighed and then used to determine dry weight or one of the physiological behaviour traits. Key Results: Whilst population mass maturity was reached at 33–36 days after pollination (DAP), seed-to-seed variation in maximum seed dry weight, when it was achieved, and when maturation drying commenced, was considerable. Individual seeds acquired germinability between 14 and 44 DAP, desiccation tolerance between 30 and 40 DAP, and the capability to become hardseeded between 30 and 47 DAP. The time for viability to fall to 50 % (p50) at 60 % relative humidity and 45 °C increased between 36 and 56 DAP, when the seed coats of most individuals had become dark orange, but declined thereafter. Individual seed f. wt at harvest did not correlate with air-dry storage survival period. Analysing survival data for cohorts of seeds reduced the standard deviation of the normal distribution of seed deaths in time, but no sub-population showed complete uniformity of survival period. Conclusions: Variation in individual seed behaviours within a developing population is inherent and inevitable. In this outbreeder, there is significant variation in seed longevity which appears dependent on embryo genotype with little effect of maternal genotype or architectural factors.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Diploid Fragaria provide a potential model for genomic studies in the Rosaceae. To develop a genetic linkage map of diploid Fragaria, we scored 78 markers (68 microsatellites, one sequence-characterised amplified region, six gene-specific markers and three morphological traits) in an interspecific F2 population of 94 plants generated from a cross of F.vesca f. semperflorens × F. nubicola. Co-segregation analysis arranged 76 markers into seven discrete linkage groups covering 448 cM, with linkage group sizes ranging from 100.3 cM to 22.9 cM. Marker coverage was generally good; however some clustering of markers was observed on six of the seven linkage groups. Segregation distortion was observed at a high proportion of loci (54%), which could reflect the interspecific nature of the progeny and, in some cases, the self-incompatibility of F. nubicola. Such distortion may also account for some of the marker clustering observed in the map. One of the morphological markers, pale-green leaf (pg) has not previously been mapped in Fragaria and was located to the mid-point of linkage group VI. The transferable nature of the markers used in this study means that the map will be ideal for use as a framework for additional marker incorporation aimed at enhancing and resolving map coverage of the diploid Fragaria genome. The map also provides a sound basis for linkage map transfer to the cultivated octoploid strawberry.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

This paper introduces a new fast, effective and practical model structure construction algorithm for a mixture of experts network system utilising only process data. The algorithm is based on a novel forward constrained regression procedure. Given a full set of the experts as potential model bases, the structure construction algorithm, formed on the forward constrained regression procedure, selects the most significant model base one by one so as to minimise the overall system approximation error at each iteration, while the gate parameters in the mixture of experts network system are accordingly adjusted so as to satisfy the convex constraints required in the derivation of the forward constrained regression procedure. The procedure continues until a proper system model is constructed that utilises some or all of the experts. A pruning algorithm of the consequent mixture of experts network system is also derived to generate an overall parsimonious construction algorithm. Numerical examples are provided to demonstrate the effectiveness of the new algorithms. The mixture of experts network framework can be applied to a wide variety of applications ranging from multiple model controller synthesis to multi-sensor data fusion.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Purpose – To investigate the way in which a series of related printing businesses, owned by members of the Gye and Balne families in Bath and London from 1771 to 1844, selected and marketed their titles when they ventured into book printing and publishing. Design/methodology/approach – The basis of this research is extensive archival research analyzing primary sources, mainly the books and ephemera printed by the various firms, supported by information in contemporary newspapers and journals and in biographies of printers and publishers. Findings – The focus of these businesses was not solely on production but that marketing was also considered, and that there was each title was conceived and produced with a particular market in mind. In doing so it provides evidence of relatively advanced marketing strategies in use before 1850 and thus questions the validity of the four-eras model of marketing history. Research limitations/implications – The available primary sources are limited; while a number of books and other printed items have survived there are no extant accounts, correspondence, or other records for any of the firms that were studied. Originality/value – There has been very little research into the way small businesses during this period approached the marketing of their products. This paper is a potential model for further such historical research and also provides an example of how research into specific companies can illuminate the larger history of marketing, potentially changing the way in which we understand the development of consumer society.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

The electronic properties of liquid hydrogen fluoride (HF) were investigated by carrying out sequential quantum mechanics/Born-Oppenheimer molecular dynamics. The structure of the liquid is in good agreement with recent experimental information. Emphasis was placed on the analysis of polarisation effects, dynamic polarisability and electronic excitations in liquid HF. Our results indicate an increase in liquid phase of the dipole moment (similar to 0.5 D) and isotropic polarisability (5%) relative to their gas-phase values. Our best estimate for the first vertical excitation energy in liquid HF indicates a blue-shift of 0.4 +/- 0.2 eV relative to that of the gas-phase monomer (10.4 eV). (C) 2010 Elsevier B.V. All rights reserved.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

The magnetic structure of NiFe(2)O(4) nanoparticles has been investigated by means of Mossbauer spectra at T=4.2 K in applied fields up to 12 T. Four samples were studied, with mean particle diameters ranging from 4.3 to 8.9 nm. All spectra could be decomposed into three sextets, two corresponding to the ferrimagnetic sublattices of Fe ions in the spinel structure (core) and the third one to randomly frozen spins near the particle surface (shell). The shell thickness, calculated from the fraction of disordered spins, was found to be about one-third of the particle radius at H (app)=e0 and to decrease with the applied field toward a common limit of similar to 0.4 nm. The mean canting angle relative to the field was also found to decrease for increasing fields, at a rate inversely correlated to the particle size.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

We consider (for the first time) the ratios of doubly heavy baryon masses (spin 3/2 over spin 1/2 and SU(3) mass-splittings) using double ratios of sum rules (DRSR), which are more accurate than the usual simple ratios often used in the literature for getting the hadron masses. In general, our results agree and compete in precision with potential model predictions. In our approach, the alpha(s) corrections induced by the anomalous dimensions of the correlators are the main sources of the Xi(QQ)*-Xi(QQ) mass-splittings, which seem to indicate a 1/M(Q) behaviour and can only allow the electromagnetic decay Xi(QQ)* -> Xi(QQ) + gamma but not to Xi(QQ) + pi. Our results also show that the SU(3) mass-splittings are (almost) independent of the spin of the baryons and behave approximately like 1/M(Q), which could be understood from the QCD expressions of the corresponding two-point correlator. Our results can improved by including radiative corrections to the SU(3) breaking terms and can be tested, in the near future, at Tevatron and LHCb. (C) 2010 Published by Elsevier B.V.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Cross sections for the (6)Li(p,gamma)(7)Be, (7)Li(n,gamma)(8)Li (8)Li(n,gamma)(9)Li and (8)Li(p,gamma)(9)Be capture reactions have been investigated in the framework of the potential model. The main ingredients of the potential model are the potentials used to generate the continuum and bound-state wave functions and spectroscopic factors of the corresponding bound systems. The spectroscopic factors for the (7)Li circle times n=(8)Li(gs), (8)Li circle times n=(9)Li(gs) bound systems were obtained from a FR-DWBA analysis of neutron transfer reactions induced by (8)Li radioactive beam on a (9)Be target, while spetroscopic factor for the (8)Li circle times n=(9)Be(gs) bound system were obained from a proton transfer reaction. From the obtained capture reaction cross section, reaction rate for the (8)Li(n,gamma)(9)Li and (8)Li(p,gamma)(9)Be direct neutron and proton capture were determined and compared with other experimental and calculated values.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

The electronic structure and spectroscopic properties of a manifold of states of a new molecular species, BeAs, have been investigated theoretically at the complete active space self-consistent field/multireference single and double excitations configuration interaction (CASSCF/MRSDCI) approach, using the aug-cc-pV5Z-PP basis set for arsenic, which includes a relativistic effective core potential, and the cc-pV5Z set for beryllium. Potential energy curves of five quartet and eight doublet (I > + S) states correlating with the five lowest-lying dissociation limit are constructed. The effect of spin-orbit coupling is also included in the description of the ground state, and of the doublet states correlating with the second dissociation channel. Dipole moment functions and vibrationally averaged dipole moments are also evaluated. The similarities and differences between BeAs, BeP, and BeN are analyzed. Spin-orbit effects are small for the ground state close to the equilibrium distance, but avoided crossings between Omega = 1/2 states, and between Omega = 3/2 states changes significantly the I > + S curves for the lowest-lying doublets.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

Com as recentes tecnologias de fabricação é possível integrar milhões de transistores em um único chip, permitindo a criação dos chamados System-on-Chip (SoCs), que integram em um único chip um grande número de componentes (tipicamente blocos reutilizáveis conhecidos por núcleos). Quanto mais complexos forem estes sistemas, melhores técnicas de projeto serão necessárias para também reduzir o tempo e custo do projeto. Uma destas técnicas, chamada de Network-on-Chip (NoC), permite melhorar a performance da comunicação entre os núcleos e, ao mesmo tempo, fornecer uma plataforma de comunicação escalável e que pode ser reutilizada para um grande número de sistemas. Uma NoC pode ser definida como uma estrutura de roteadores e canais ponto-a-ponto que interconectam os núcleos de um sistema, provendo o suporte de comunicação entre eles. Os dados são transmitidos pela rede na forma de mensagens, que podem ser divididas em unidades menores chamadas de pacote. Uma das desvantagens desta plataforma de comunicação é o impacto na área do sistema causado pelos roteadores. Dentro deste contexto, este trabalho apresenta uma arquitetura de roteador de baixo custo, com o objetivo de permitir o uso de NoCs em sistemas onde a área do roteador representará um grande impacto no custo do sistema. A arquitetura deste roteador, chamado de Tonga, é baseada em um roteador chamado RASoC, um soft-core para SoCs. Nesta dissertação será apresentada também uma rede heterogênea, baseada na rede SoCIN, e composta por dois tipos de roteadores – RASoC e Tonga. Estes roteadores visam diferentes objetivos: Rasoc alcança uma maior performance comparada ao Tonga, mas ocupa área consideravelmente maior. Potencialmente, uma NoC heterogênea otimizada pode ser desenvolvida combinando estes roteadores, procurando o melhor compromisso entre área e latência. Os modelos desenvolvidos permitem a estimativa de área e do desempenho das arquiteturas de comunicação propostas e são apresentados resultados de performance para algumas aplicações.

Relevância:

100.00% 100.00%

Publicador:

Resumo:

O objectivo deste trabalho é a implementação em hardware de uma Rede Neuronal com um microprocessador embebido, podendo ser um recurso valioso em várias áreas científicas. A importância das implementações em hardware deve-se à flexibilidade, maior desempenho e baixo consumo de energia. Para esta implementação foi utilizado o dispositivo FPGA Virtex II Pro XC2VP30 com um MicroBlaze soft core, da Xilinx. O MicroBlaze tem vantagens como a simplicidade no design, sua reutilização e fácil integração com outras tecnologias. A primeira fase do trabalho consistiu num estudo sobre o FPGA, um sistema reconfigurável que possui características importantes como a capacidade de executar em paralelo tarefas complexas. Em seguida, desenvolveu-se o código de implementação de uma Rede Neuronal Artificial baseado numa linguagem de programação de alto nível. Na implementação da Rede Neuronal aplicou-se, na camada escondida, a função de activação tangente hiperbólica, que serve para fornecer a não linearidade à Rede Neuronal. A implementação é feita usando um tipo de Rede Neuronal que permite apenas ligações no sentido de saída, chamado Redes Neuronais sem realimentação (do Inglês Feedforward Neural Networks - FNN). Como as Redes Neuronais Artificiais são sistemas de processamento de informações, e as suas características são comuns às Redes Neuronais Biológicas, aplicaram-se testes na implementação em hardware e analisou-se a sua importância, a sua eficiência e o seu desempenho. E finalmente, diante dos resultados, fez-se uma análise de abordagem e metodologia adoptada e sua viabilidade.