Character of simplified Navier-Stokes (SNS) equations near separation point for two-dimensional laminar flow over a flat plate

It is proved that the simplified Navier-Stokes (SNS) equations presented by Gao Zhi[1], Davis and Golowachof-Kuzbmin-Popof (GKP)[3] are respectively regular and singular near a separation point for a two-dimensional laminar flow over a flat plate. The order of the algebraic singularity of Davis and GKP equation[2,3] near the separation point is indicated. A comparison among the classical boundary layer (CBL) equations, Davis and GKP equations, Gao Zhi equations and the complete Navier-Stokes (NS) equations near the separation point is given.

Orientation preference and fractal character of short fatigue cracks in a weld metal

Short fatigue crack behaviour in a weld metal has been further investigated. The Schmid factor and the fractal dimension of short cracks on iso-stress specimens subjected to reversed bending have been determined and then applied to account for the distribution and orientation characteristics of short fatigue cracks. The result indicates that the orientation preference of short cracks is attributed to the large values of Schmid factor at relevant grains. The Schmid factors of most slip systems, which produced short cracks, are less than or equal to 0.4. Crack length measurements reveal that short crack path, compared to that of long crack, possesses a more stable and relatively larger value of fractal dimension. This is regarded as one of the typical features of short cracks.

Contributions to the Geology and Paleontology of the Canal Zone, Panama, and geologically related areas in central America and the West Indies. Part 11: The biologic character and geologic correlations of the sedimentary formations of Panama in their relation to the geologic history of Central America and the West Indies

The paper presents: 1) biologic summaries for each of the formations for which paleontologic data are available, with brief discussions of the geologic age; 2) geologic correlations of the formations and the distribution of their age-equivalents in Central America, the West Indies, and the southeastern United States; 3) an outline of the paleogeography of middle America. The biologic summaries are based on the paleontologic memoirs in this vol. by Messars. Howe, Berry, Chuchman, Jackson, Canu and Bassler and Pilsbry, Miss Rathbun and myself.

Detección automática de presencia/ausencia de atún en imágenes obtenidas mediante sonar de largo alcance a bordo de buques pesqueros y aplicación de Optical Character Recognition (OCR) para la extracción de parámetros

En esta tesis de máster se presenta una metodología para el análisis automatizado de las señales del sonar de largo alcance y una aplicación basada en la técnica de reconocimiento óptico de Optical Character Recognition, caracteres (OCR). La primera contribución consiste en el análisis de imágenes de sonar mediante técnicas de procesamiento de imágenes. En este proceso, para cada imagen de sonar se extraen y se analizan las regiones medibles, obteniendo para cada región un conjunto de características. Con la ayuda de los expertos, cada región es identi cada en una clase (atún o no-atún). De este modo, mediante el aprendizaje supervisado se genera la base de datos y, a su vez, se obtiene un modelo de clasi cación. La segunda contribución es una aplicación OCR que reconoce y extrae de las capturas de pantalla de imágenes de sonar, los caracteres alfanuméricos correspondientes a los parámetros de situación (velocidad, rumbo, localización GPS) y la confi guración de sonar (ganancias, inclinación, ancho del haz). El objetivo de este proceso es el de maximizar la e ficiencia en la detección de atún en el Golfo de Vizcaya y dar el primer paso hacia el desarrollo de un índice de abundancia de esta especie, el cual esté basado en el procesamiento automático de las imágenes de sonar grabadas a bordo de la ota pesquera durante su actividad pesquera rutinaria.

Meristic variation in Sebastes (Scorpaenidae), with an analysis of character association and bilateral pattern and their significance in species separation

This report presents meristic data for nearly all of the known species of Sebasles. Rudimentary caudal ray counts tend to be higher in more active species. The number of caudal rays supported by the hypurals is consistently 14, whereas the number of branched caudal rays varies between 11 and 13. Vertebral counts and most fin-ray counts tend to be lower in species or populations in warmer latitudes, except for pectoral ray counts which tend to have an opposite geographic pattern. On the basis of the small magnitude of meristic and morphometric differences and the lack of other differences between northern and southern samples of "Sebasles caurinus," Sebaslichlhys vexillaris Jordan and Gilbert is regarded as a junior synonym of Sebasles caurinus Richardson. The patterns of bilateral variation in paired meristics are analyzed and their mechanism discussed. The frequency distribution of pectoral ray counts in their right-left combination is shown to be useful in species separation. No association was found between any combination of two meristic features in any species. The author proposes that intrasample associations between meristic features are evidence of sampling heterogeneity. (PDF file contains 21 pages.)

The intestine as a diagnostic character in identifying certain clupeoids (Engraulididae, Clupeidae, Dussumieriidae) and as a morphometric character for comparing anchoveta (Centengraulis mysticetus) populations

ENGLISH: The several species of clupeoid fishes used as baitfish in the Eastern Pacific tuna fishery are, in some cases, sufficiently similar to make identification difficult. During a review of the anatomy of the intestine of clupeoid fishes it was observed that the morphology of the intestine is sometimes a useful character in the identification of systematic groups. The genera at least can be distinguished by means of the topographical anatomy of the intestines. This also may be a useful character because it is often found that a species occurs in the same area as another species that may be confused with it on external inspection, although it belongs to a different genus. SPANISH: La gran similitud morfológica de varias especies del órden Clupeoidea usadas como cebo en la pesquería de atún del Pacifíco Oriental, hace que su identificación sea en algunos casos difícil. Al realizar una revisión anatómica del intestino de los peces clupeoides, se observó que la morfología del mismo es a veces un carácter útil para la identificación de los diversos grupos sistemáticos. Al menos los géneros pueden ser distinguidos por medio de la anatomía topográfica de los intestinos. Esto también puede ser un carácter útil, puesto que a menudo dos especies pertenecientes a géneros diferentes y que ocupen la misma área, pueden ser confundidos si nos basamos solamente en la morfología externa. (PDF contains 24 pages.)

Generating artificial homologous proteins according to the representative family character in molecular mechanics properties - an attempt in validating an underlying rule of protein evolution

The molecular mechanics property is the foundation of many characters of proteins. Based on intramolecular hydrophobic force network, the representative family character underlying a protein’s mechanics property is described by a simple two-letter scheme. The tendency of a sequence to become a member of a protein family is scored according to this mathematical representation. Remote homologs of the WW-domain family could be easily designed using such a mechanistic signature of protein homology. Experimental validation showed that nearly all artificial homologs have the representative folding and bioactivity of their assigned family. Since the molecular mechanics property is the only consideration in this study, the results indicate its possible role in the generation of new members of a protein family during evolution.

Linking public perceptions of socioeconmic change and marine resource management in rural Maine

Rural coastal regions across the United States are coping with dramatic social and environmental changes. Historically, these areas relied heavily on fishing and marine commerce and these economic activities defined the character of coastal communities. However, shifting ocean and climate conditions, together with inadequate management strategies, have led to sharp declines in harvestable marine resources. These trends, along with increasing competition from aquaculture and international sources of fish, have led to the steady decline of fishing as the central economic activity in many rural coastal communities. (PDF contains 3 pages)

First principles based multiparadigm modeling of electronic structures and dynamics

Electronic structures and dynamics are the key to linking the material composition and structure to functionality and performance.

An essential issue in developing semiconductor devices for photovoltaics is to design materials with optimal band gaps and relative positioning of band levels. Approximate DFT methods have been justified to predict band gaps from KS/GKS eigenvalues, but the accuracy is decisively dependent on the choice of XC functionals. We show here for CuInSe₂ and CuGaSe₂, the parent compounds of the promising CIGS solar cells, conventional LDA and GGA obtain gaps of 0.0-0.01 and 0.02-0.24 eV (versus experimental values of 1.04 and 1.67 eV), while the historically first global hybrid functional, B3PW91, is surprisingly the best, with band gaps of 1.07 and 1.58 eV. Furthermore, we show that for 27 related binary and ternary semiconductors, B3PW91 predicts gaps with a MAD of only 0.09 eV, which is substantially better than all modern hybrid functionals, including B3LYP (MAD of 0.19 eV) and screened hybrid functional HSE06 (MAD of 0.18 eV).

The laboratory performance of CIGS solar cells (> 20% efficiency) makes them promising candidate photovoltaic devices. However, there remains little understanding of how defects at the CIGS/CdS interface affect the band offsets and interfacial energies, and hence the performance of manufactured devices. To determine these relationships, we use the B3PW91 hybrid functional of DFT with the AEP method that we validate to provide very accurate descriptions of both band gaps and band offsets. This confirms the weak dependence of band offsets on surface orientation observed experimentally. We predict that the CBO of perfect CuInSe₂/CdS interface is large, 0.79 eV, which would dramatically degrade performance. Moreover we show that band gap widening induced by Ga adjusts only the VBO, and we find that Cd impurities do not significantly affect the CBO. Thus we show that Cu vacancies at the interface play the key role in enabling the tunability of CBO. We predict that Na further improves the CBO through electrostatically elevating the valence levels to decrease the CBO, explaining the observed essential role of Na for high performance. Moreover we find that K leads to a dramatic decrease in the CBO to 0.05 eV, much better than Na. We suggest that the efficiency of CIGS devices might be improved substantially by tuning the ratio of Na to K, with the improved phase stability of Na balancing phase instability from K. All these defects reduce interfacial stability slightly, but not significantly.

A number of exotic structures have been formed through high pressure chemistry, but applications have been hindered by difficulties in recovering the high pressure phase to ambient conditions (i.e., one atmosphere and room temperature). Here we use dispersion-corrected DFT (PBE-ulg flavor) to predict that above 60 GPa the most stable form of N₂O (the laughing gas in its molecular form) is a 1D polymer with an all-nitrogen backbone analogous to cis-polyacetylene in which alternate N are bonded (ionic covalent) to O. The analogous trans-polymer is only 0.03-0.10 eV/molecular unit less stable. Upon relaxation to ambient conditions both polymers relax below 14 GPa to the same stable non-planar trans-polymer, accompanied by possible electronic structure transitions. The predicted phonon spectrum and dissociation kinetics validate the stability of this trans-poly-NNO at ambient conditions, which has potential applications as a new type of conducting polymer with all-nitrogen chains and as a high-energy oxidizer for rocket propulsion. This work illustrates in silico materials discovery particularly in the realm of extreme conditions.

Modeling non-adiabatic electron dynamics has been a long-standing challenge for computational chemistry and materials science, and the eFF method presents a cost-efficient alternative. However, due to the deficiency of FSG representation, eFF is limited to low-Z elements with electrons of predominant s-character. To overcome this, we introduce a formal set of ECP extensions that enable accurate description of p-block elements. The extensions consist of a model representing the core electrons with the nucleus as a single pseudo particle represented by FSG, interacting with valence electrons through ECPs. We demonstrate and validate the ECP extensions for complex bonding structures, geometries, and energetics of systems with p-block character (C, O, Al, Si) and apply them to study materials under extreme mechanical loading conditions.

Despite its success, the eFF framework has some limitations, originated from both the design of Pauli potentials and the FSG representation. To overcome these, we develop a new framework of two-level hierarchy that is a more rigorous and accurate successor to the eFF method. The fundamental level, GHA-QM, is based on a new set of Pauli potentials that renders exact QM level of accuracy for any FSG represented electron systems. To achieve this, we start with using exactly derived energy expressions for the same spin electron pair, and fitting a simple functional form, inspired by DFT, against open singlet electron pair curves (H₂ systems). Symmetric and asymmetric scaling factors are then introduced at this level to recover the QM total energies of multiple electron pair systems from the sum of local interactions. To complement the imperfect FSG representation, the AMPERE extension is implemented, and aims at embedding the interactions associated with both the cusp condition and explicit nodal structures. The whole GHA-QM+AMPERE framework is tested on H element, and the preliminary results are promising.

A model for energy and morphology of crystalline grain boundaries with arbitrary geometric character

It has been well-established that interfaces in crystalline materials are key players in the mechanics of a variety of mesoscopic processes such as solidification, recrystallization, grain boundary migration, and severe plastic deformation. In particular, interfaces with complex morphologies have been observed to play a crucial role in many micromechanical phenomena such as grain boundary migration, stability, and twinning. Interfaces are a unique type of material defect in that they demonstrate a breadth of behavior and characteristics eluding simplified descriptions. Indeed, modeling the complex and diverse behavior of interfaces is still an active area of research, and to the author's knowledge there are as yet no predictive models for the energy and morphology of interfaces with arbitrary character. The aim of this thesis is to develop a novel model for interface energy and morphology that i) provides accurate results (especially regarding "energy cusp" locations) for interfaces with arbitrary character, ii) depends on a small set of material parameters, and iii) is fast enough to incorporate into large scale simulations.

In the first half of the work, a model for planar, immiscible grain boundary is formulated. By building on the assumption that anisotropic grain boundary energetics are dominated by geometry and crystallography, a construction on lattice density functions (referred to as "covariance") is introduced that provides a geometric measure of the order of an interface. Covariance forms the basis for a fully general model of the energy of a planar interface, and it is demonstrated by comparison with a wide selection of molecular dynamics energy data for FCC and BCC tilt and twist boundaries that the model accurately reproduces the energy landscape using only three material parameters. It is observed that the planar constraint on the model is, in some cases, over-restrictive; this motivates an extension of the model.

In the second half of the work, the theory of faceting in interfaces is developed and applied to the planar interface model for grain boundaries. Building on previous work in mathematics and materials science, an algorithm is formulated that returns the minimal possible energy attainable by relaxation and the corresponding relaxed morphology for a given planar energy model. It is shown that the relaxation significantly improves the energy results of the planar covariance model for FCC and BCC tilt and twist boundaries. The ability of the model to accurately predict faceting patterns is demonstrated by comparison to molecular dynamics energy data and experimental morphological observation for asymmetric tilt grain boundaries. It is also demonstrated that by varying the temperature in the planar covariance model, it is possible to reproduce a priori the experimentally observed effects of temperature on facet formation.

Finally, the range and scope of the covariance and relaxation models, having been demonstrated by means of extensive MD and experimental comparison, future applications and implementations of the model are explored.

On the character of the phytoplankton of the Yakimvarskii Gulf (Lake Ladoga) [Translation from: Botanicheskii Zhurnal, T. 44, No. 9, 1311-1314, 1959]

The Laboratory of Lake Studies of the Academy of Sciences of the USSR in 1956 undertook this complicated study of Lake Ladoga. The plan of the laboratory made allowance for the detailed investigation of the phytoplankton of the lake during a series of years. In the present article are given the preliminary results of observations on the phytoplankton of the Yakimvarskii Bay from 1956 to 1957. Details are also given on the concentration of dissolved gases and biogenic substances of the bay.

A santa absolvição do crime: violência, revolta e religiosidade nas dramaturgias de Jean Genet e Plínio Marcos

A presente tese de doutorado analisa, em perspectiva comparada, as convergências e divergências entre as dramaturgias do francês Jean Genet e do brasileiro Plínio Marcos, sob o prisma de três tópicos inegavelmente presentes, nelas: a violência, a revolta e a religiosidade. As questões de margem, borda, periferia, ex-centricidade, dissenso etc são abordadas neste trabalho para situar a ideia de outro como o referencial ontológico que sustenta a obra teatral de ambos. As respectivas biografias dos autores em questão, direta ou indiretamente, tem relação com a aura de marginalidade artística atribuída (e até assumida por eles próprios) a sua produção em geral (seus romances, poemas, ensaios e contos). Pode-se dizer que muito da persona que ambos assumiram correspondia às expectativas que os círculos intelectuais engajados tinham em adotar uma figura que viesse a encarnar o papel de autêntico porta-voz do segmento marginalizado da sociedade na qual cada um deles se criou. Ambos gozam de certo status de vanguardistas no caso do metateatro de Genet, na sua atribuída vinculação ao Teatro do Absurdo, e, no caso do hipernaturalismo dramático de Plínio, na sua atribuída (e mesmo confessa) descendência da linhagem criativa de caracteres e motivos do teatro de Nelson Rodrigues. Outro aspecto comum à dramaturgia de Genet e Plínio que abordamos é a problematização de dois espaços alegóricos definidores por excelência do ethos dos tipos humanos que o habitam: a prisão e o prostíbulo. Para tanto, ganham destaque, aqui, Alta vigilância e O Balcão, de Genet, e Barrela e O abajur lilás, de Plínio. Nelas também se verifica a figuração de motivos de inspiração religiosa que, no autor francês, concorrem para uma espécie de sacralização ritual do crime (o que ecoa o ideário de Antonin Artaud) e, no brasileiro, funcionam como um exercício catártico de compaixão à sombra de uma cristandade de feição primitiva que se insinua no tratamento que dá à degradação dos párias sociais que compõem seu universo dramático. Por fim, analisamos comparativamente três peças brasileiras (Pedro Mico, de Antonio Callado; Gimba, o presidente dos valentes, de Gianfrancesco Guarnieri; e Oração para um pé de chinelo, de Plínio Marcos) tomando como ponto de partida uma situação dramática comum a elas para traçar, assim, as afinidades e distinções de cada qual quanto à abordagem da criminalidade. E, assim, também, poder apontar o tipo de projeto de teatro a que cada uma se vincula, trazendo à tona questões caras ao momento histórico-cultural no qual foram compostas, como a figuração do negro e do favelado na sociedade brasileira

A poética do sublime na teoria da tragédia de Friedrich Schiller

Em sua breve carreira filosófica, o poeta e dramaturgo alemão Friedrich Schiller (1759-1805) se apropriou do conceito kantiano do sublime, identificando-o ao trágico e à tragédia, manifestação artística que seria genuinamente regulada por princípios estéticos daquela ordem. Deste modo, buscamos neste trabalho relacionar o caráter subjetivo da experiência do sublime com as suas implicações de ordem prática para a arquitetura da tragédia, em especial as que dizem respeito à estrutura ideal do drama, intimamente vinculada à sua finalidade, que é a efetivação do efeito estético que lhe cabe por definição. Se, por uma via, o pensamento de Schiller caminha em direção ao desenvolvimento de uma concepção do trágico a partir de um dos conceitos fundamentais da estética moderna, por outra ele permanece atrelado à tradição aristotélica quando se concentra no estudo da tragédia enquanto gênero literário e busca por meio deste estudo estabelecer regras para a citação dramatúrgica. Assim, Schiller constrói uma poética do sublime, um programa de arte que inaugura um debate importante sobre o fenômeno do trágico na filosofia alemã. Mas, como pretendemos defender, é justamente a concepção do trágico forjada a partir de uma interpretação acentuadamente moral do sublime que torna o conteúdo de sua teoria da tragédia problemático, embora tal teoria seja a resposta encontrada por Schiller para perguntas ainda pertinentes. Afinal, por que nos entretêm assuntos trágicos?