Exact property estimation from diffusion Monte Carlo with minimal stochastic reconfiguration /

Our objective is to develop a diffusion Monte Carlo (DMC) algorithm to estimate the exact expectation values, ($o|^|^o), of multiplicative operators, such as polarizabilities and high-order hyperpolarizabilities, for isolated atoms and molecules. The existing forward-walking pure diffusion Monte Carlo (FW-PDMC) algorithm which attempts this has a serious bias. On the other hand, the DMC algorithm with minimal stochastic reconfiguration provides unbiased estimates of the energies, but the expectation values ($o|^|^) are contaminated by ^, an user specified, approximate wave function, when A does not commute with the Hamiltonian. We modified the latter algorithm to obtain the exact expectation values for these operators, while at the same time eliminating the bias. To compare the efficiency of FW-PDMC and the modified DMC algorithms we calculated simple properties of the H atom, such as various functions of coordinates and polarizabilities. Using three non-exact wave functions, one of moderate quality and the others very crude, in each case the results are within statistical error of the exact values.

DEFORMATION OF INTERIOR LAYERED DEPOSITS (ILD) AND THEIR ASSOCIATED LANDFORMS IN WEST CANDOR CHASMA, MARS: IMPLICATIONS FOR THE TIMING OF ILD DEPOSITION

On Mars, interior layered deposits (ILD) provide evidence that water was once stable at the surface of the planet and present in large quantities. In West Candor Chasma, the ILD and their associated landforms record the depositional history of the chasma, and the deformation of those deposits provide insight into the stresses acting on them and the chasma as a whole. The post ILD structural history of West Candor is interpreted by analyzing the spatial relationships and orientation trends of structural features within the ILD. Therecording of stresses through brittle deformation of ILDs implies that the ILD had been lithified before the stress was imposed. Based on the prominent orientation trends of deformation features, the orientation of the stress regime acting upon the ILD appears to be linked to the regime that initially created the chasma-forming faults. An additional minor stress orientation was also revealed and may be related to large structures outside west Candor Chasma. The late depositional history of Ceti Mensa is herein investigated by examining the attributes and spatial relationship between unique corrugated, linear formations (CLF). The CLFs appear to be aeolian in origin but display clear indications of brittle deformation, indicating they have been Iithified. Evidence of lithification and the mineral composition of the surrounding material support the interpretation of circulating water in the area.

Minimal Contact Intervention for Tobacco Dependence

This study was conducted to measure the degree of adherence by public health care providers to a policy that requires them to implement minimal contact intervention for tobacco cessation with their clients. This study also described what components of the intervention may have contributed to the adherence of the policy and how health care providers felt about adhering to the policy. The intervention consisted of a policy for implementation of minimal contact intervention, changes to documentation, a health care provider mentor trained, a training session for health care providers, and ongoing paper and people supports for implementation. Data for this study were collected through a health care provider questionnaire, focus group interviews, and a compliance protocol including a chart audit. The findings of this study showed a high degree of adherence to the policy, that health care providers thought minimal contact intervention was important to conduct with their clients, and that health care providers felt supported to implement the intervention. No statistically significant difference was found between new and experienced health care providers on 17 of the 18 questions on the health care provider questionnaire. However there was a statistically significant difference between new and experienced health care providers with respect to their perception that “clients often feel like they have to accept tobacco cessation information from me.” Changes could be made to the minimal contact intervention and to documentation of the intervention. Implications for future research include implementation within other programs within Hamilton Public Health Services and implementation of this model within other public health units and other types of health care providers within Ontario.

Production Linkages Between Informal and Formal Activities Considering Domestic and Imported Inputs: an Application of the Minimal-Flow-Analysis Method to Senegal.

We apply to the Senegalese input-output matrix of 1990, disagregated into formal and informal activities, a recently designed structural analytical method (Minimal-Flow-Analysis) which permits to depict the direct and indirect production likanges existing between activities.

Asymétries à la marche chez les adolescents atteints de scoliose idiopathique

La scoliose idiopathique de l’adolescence (SIA) est une pathologie de cause inconnue impliquant une déformation tridimensionnelle de la colonne vertébrale et de la cage thoracique. Cette pathologie affecte, entre autres, les vertèbres ainsi que les muscles paraspinaux. Ces composantes de la colonne vertébrale jouent un rôle important lors de la marche. Dix sujets témoins et neuf sujets SIA ont effectué dix essais de marche à vitesse normale sur un corridor de marche de dix mètres dans lequel était inséré deux plates-formes de force. De plus, un système de huit caméras (VICON) a permis de calculer les coordonnées tridimensionnelles des 30 marqueurs utilisés afin d’analyser la cinématique des sujets. Les variables faisant l’objet de cette étude sont les amplitudes totales, minimales et maximales des rotations des ceintures pelvienne et scapulaire dans les plans transverse et frontal de même que les coefficients de corrélation et de variation de ces segments. Des tests de Student ont été utilisés pour l’analyse statistique. Malgré le fait qu’aucune différence significative n’a été observée, dans aucun des plans, entre les amplitudes des rotations des ceintures pelvienne et scapulaire entre les groupes témoin et SIA, une différence significative en ce qui a trait aux minimums de rotations pelviennes et scapulaires, dans le plan transverse, a été observée. Cette différence suggère une asymétrie dans les rotations effectuées par ces segments à la marche à vitesse naturelle chez une population atteinte de SIA.

Synthesis of Zinc oxide nanorods via conductive polymeric template and its potential application in hybrid solar cells.

Tesis (Doctorado en Ciencias con orientación en Química de los Materiales) UANL, 2014.

Budget-Balance, Fairness and Minimal Manipulability

A common real-life problem is to fairly allocate a number of indivisible objects and a fixed amount of money among a group of agents. Fairness requires that each agent weakly prefers his consumption bundle to any other agent’s bundle. Under fairness, efficiency is equivalent to budget-balance (all the available money is allocated among the agents). Budget-balance and fairness in general are incompatible with non-manipulability (Green and Laffont, 1979). We propose a new notion of the degree of manipulability which can be used to compare the ease of manipulation in allocation mechanisms. Our measure counts for each problem the number of agents who can manipulate the rule. Given this notion, the main result demonstrates that maximally linked fair allocation rules are the minimally manipulable rules among all budget-balanced and fair allocation mechanisms. Such rules link any agent to the bundle of a pre-selected agent through indifferences (which can be viewed as indirect egalitarian equivalence).

Fiabilité et changement minimal détectable de mesures obtenues à partir d'images enregistrées par ultrasonographie afin de caractériser l'intégrité du tendon d'Achille

Problématique : La quantification de l’intégrité du tendon d’Achille (TA) représente un défi en réadaptation. L’adoption de mesures quantitatives du TA, extraites à partir d’une image ultrasonographique (QUS), pourrait remédier à cette lacune. Objectifs : 1) Évaluer la fiabilité test-retest et la précision de mesures QUS du TA; 2) Déterminer le meilleur protocole de collecte de mesures QUS à employer en pratique clinique. Méthodologie : Un total de 23 TAs présentant des symptômes d’une tendinopathie achilléenne et 63 TAs asymptomatiques ont été évalués. Pour chaque TA, 8 images ont été enregistrées (2 visites * 2 évaluatrices * 2 images). Différents types de mesures QUS ont été prises : géométriques (épaisseur, largeur, aire), dérivées d’un histogramme des niveaux de gris et dérivées d’une matrice de co-occurrence. Une étude de généralisabilité a quantifié la fiabilité et la précision de chaque mesure QUS et une étude de décision a fait ressortir les meilleurs protocoles de prise de mesures. Résultats : Les mesures géométriques ont démontré une excellente fiabilité et précision. Les mesures dérivées de l’histogramme des niveaux de gris ont démontré une fiabilité et précision médiocres. Les mesures dérivées d’une matrice de co-occurrence ont démontré une fiabilité modérée à excellente et une précision variable. En pratique clinique, il est recommandé de moyenner les résultats de trois images collectées par un évaluateur lors d’une visite. Conclusion : L’utilisation des mesures QUS géométriques permet de quantifier l’intégrité du TA (clinique et recherche). Davantage d’études sur les mesures QUS dérivées d’une matrice de co-occurrence s’avèrent nécessaires.

Chronic catheterization using vascular-access-port in rats: blood sampling with minimal stress for plasma catecholamine determination

Chronic catheterization is illustrated using vascular-access-port model SLA where the port is surgically placed subcutaneously on the back of the rat. The catheter is tunnelled to the neck and inserted into the jugular vein . Within 24 h rats showed normal blood pressure and blood samples were collected at intervals with minimal stress to the animals . A comparison of the plasma catecholamine of blood collected from vascular-access-ports with that obtained from decapitation indicates that there was minimal stress to the rats when blood was drawn through the vascular-access-port.

Characteristics of near surface crustal deformation associated with shield seismicity

The purpose of the present study is to understand the surface deformation associated with the Killari and Wadakkancheri earthquake and to examine if there are any evidence of occurrence of paleo-earthquakes in this region or its vicinity. The present study is an attempt to characterize active tectonic structures from two areas within penisular India: the sites of 1993 Killari (Latur) (Mb 6.3) and 1994 Wadakkancheri (M 4.3) earthquakes in the Precambrian shield. The main objectives of the study are to isolate structures related to active tectonism, constraint the style of near – surface deformation and identify previous events by interpreting the deformational features. The study indicates the existence of a NW-SE trending pre-existing fault, passing through the epicentral area of the 1993 Killari earthquake. It presents the salient features obtained during the field investigations in and around the rupture zone. Details of mapping of the scrap, trenching, and shallow drilling are discussed here. It presents the geologic and tectonic settings of the Wadakkancheri area and the local seismicity; interpretation of remote sensing data and a detailed geomorphic analysis. Quantitative geomorphic analysis around the epicenter of the Wadakkancheri earthquake indicates suitable neotectonic rejuvenation. Evaluation of remote sensing data shows distinct linear features including the presence of potentially active WNW-ESE trending fault within the Precambrian shear zone. The study concludes that the earthquakes in the shield area are mostly associated with discrete faults that are developed in association with the preexisting shear zones or structurally weak zones

An analytical study of the power distribution pattterns of silica waveguides with high paraboloic cylindrical deformation

An attempt is made to determine the relative power distribution in a step-index parabolic cylindrical waveguide (PCW) with high deformation across the direction of propagation. The guide is assumed to be made of silica. The scalar field approximation is employed for the analysis under which a vanishing refractive-index (RI) difference in the waveguide materials is considered. Further, no approximation for folds- is used in the analytical treatment. Due to the geometry of such waceguides, PCWs lose the well-defined modal discreteness, and a kind of mode bunching is observed instead, which becomes much more prominent in PCWs with high bends. However, with the increase in cross-sectional size, the mode-bunching tendency is slightly reduced. The general expressions for power in the guiding and nonguiding sections are obtained, and the fractional power patterns in all of the sections are presented for PCWs of various cross-sectional dimensions. It is observed that the confinement of power in the core section is increased for PCWs of larger cross-sectional size. Moreover, a fairly uniform distribution of power is seen over the modes having intermediate values of propagation constants

Template assisted fabrication of I-D nanostructures of Nickel,Cobalt, Iron Oxide and Carbon nanotubes and a study on their structural, magnetic and nonlinear optical properties for applications

Department of Physics, Cochin University of Science & Technology

Constraining the active tectonic deformation of Andaman-Nicobar Arc in the background of December 26,2004 Great Sumatra-Andaman Earthquake

The Andaman-Nicobar Islands in the Bay of Bengal lies in a zone where the Indian plate subducts beneath the Burmese microplate, and therefore forms a belt of frequent earthquakes. Few efforts, not withstanding the available historical and instrumental data were not effectively used before the Mw 9.3 Sumatra-Andaman earthquake to draw any inference on the spatial and temporal distribution of large subduction zone earthquakes in this region. An attempt to constrain the active crustal deformation of the Andaman-Nicobar arc in the background of the December 26, 2004 Great Sumatra-Andaman megathrust earthquake is made here, thereby presenting a unique data set representing the pre-seismic convergence and co-seismic displacement.Understanding the mechanisms of the subduction zone earthquakes is both challenging sCientifically and important for assessing the related earthquake hazards. In many subduction zones, thrust earthquakes may have characteristic patterns in space and time. However, the mechanism of mega events still remains largely unresolved.Large subduction zone earthquakes are usually associated with high amplitude co-seismic deformation above the plate boundary megathrust and the elastic relaxation of the fore-arc. These are expressed as vertical changes in land level with the up-dip part of the rupture surface uplifted and the areas above the down-dip edge subsided. One of the most characteristic pattern associated with the inter-seismic era is that the deformation is in an opposite sense that of co-seismic period.This work was started in 2002 to understand the tectonic deformation along the Andaman-Nicobar arc using seismological, geological and geodetic data. The occurrence of the 2004 megathrust earthquake gave a new dimension to this study, by providing an opportunity to examine the co-seismic deformation associated with the greatest earthquake to have occurred since the advent of Global Positioning System (GPS) and broadband seismometry. The major objectives of this study are to assess the pre-seismic stress regimes, to determine the pre-seismic convergence rate, to analyze and interpret the pattern of co-seismic displacement and slip on various segments and to look out for any possible recurrence interval for megathrust event occurrence for Andaman-Nicobar subduction zone. This thesis is arranged in six chapters with further subdivisions dealing all the above aspects.