First principles LDA+U and GGA+U study of cerium oxides: Dependence on the effective U-parameter

The electronic structure and properties of cerium oxides (CeO2 and Ce2O3) have been studied in the framework of the LDA+U and GGA(PW91)+U implementations of density functional theory. The dependence of selected observables of these materials on the effective U parameter has been investigated in detail. The examined properties include lattice constants, bulk moduli, density of states, and formation energies of CeO2 and Ce2O3. For CeO2, the LDA+U results are in better agreement with experiment than the GGA+U results whereas for the computationally more demanding Ce2O3 both approaches give comparable accuracy. Furthermore, as expected, Ce2O3 is much more sensitive to the choice of the U value. Generally, the PW91 functional provides an optimal agreement with experiment at lower U energies than LDA does. In order to achieve a balanced description of both kinds of materials, and also of nonstoichiometric CeO2¿x phases, an appropriate choice of U is suggested for LDA+U and GGA+U schemes. Nevertheless, an optimum value appears to be property dependent, especially for Ce2O3. Optimum U values are found to be, in general, larger than values determined previously in a self-consistent way.

Studis on the climatological aspects of air pollution potential over trivandrum

The deteriorating air quality especially in urban environments is a cause of serious concern. In spite of being an effective sink, the atmosphere also has its own limitations in effectively dispersing the pollutants being dumped into it continuously by various sources, mainly industries. Many a time, it is not the higher emissions that cause alarming level of pollutants but the unfavourable atmospheric conditions under which the atmosphere is not able to disperse them effectively, leading to accumulation of pollutants near the ground. Hence, it is imperative to have an estimate of the atmospheric potential for dispersal of the substances emitted into it. This requires a knowledge of mixing height, ventilation coefficient, wind and stability of the region under study. Mere estimation of such pollution potential is not adequate, unless the probable distribution of concentration of pollutants is known. This can be obtained by means of mathematical models. The pollution potential coupled with the distribution of concentration provides a good basis for initiating steps to mitigate air pollution in any developing urban area. In this thesis, a fast developing industrial city, namely, Trivandrum is chosen for estimating the pollution potential and determining the spatial distribution of sulphur dioxide concentration. Each of the parameters required for pollution potential is discussed in detail separately. The thesis is divided into nine chapters.

Effects of new nonlinear couplings in relativistic effective field theory

We extend the relativistic mean field theory model of Sugahara and Toki by adding new couplings suggested by modern effective field theories. An improved set of parameters is developed with the goal to test the ability of the models based on effective field theory to describe the properties of finite nuclei and, at the same time, to be consistent with the trends of Dirac-Brueckner-Hartree-Fock calculations at densities away from the saturation region. We compare our calculations with other relativistic nuclear force parameters for various nuclear phenomena.

Superheavy nuclei in relativistic effective Lagrangian model

Isotopic and isotonic chains of superheavy nuclei are analyzed to search for spherical double shell closures beyond Z=82 and N=126 within the new effective field theory model of Furnstahl, Serot, and Tang for the relativistic nuclear many-body problem. We take into account several indicators to identify the occurrence of possible shell closures, such as two-nucleon separation energies, two-nucleon shell gaps, average pairing gaps, and the shell correction energy. The effective Lagrangian model predicts N=172 and Z=120 and N=258 and Z=120 as spherical doubly magic superheavy nuclei, whereas N=184 and Z=114 show some magic character depending on the parameter set. The magicity of a particular neutron (proton) number in the analyzed mass region is found to depend on the number of protons (neutrons) present in the nucleus.

Atomic parity nonconservation, neutron radii, and effective field theories of nuclei

Accurately calibrated effective field theories are used to compute atomic parity nonconserving (APNC) observables. Although accurately calibrated, these effective field theories predict a large spread in the neutron skin of heavy nuclei. Whereas the neutron skin is strongly correlated to numerous physical observables, in this contribution we focus on its impact on new physics through APNC observables. The addition of an isoscalar-isovector coupling constant to the effective Lagrangian generates a wide range of values for the neutron skin of heavy nuclei without compromising the success of the model in reproducing well-constrained nuclear observables. Earlier studies have suggested that the use of isotopic ratios of APNC observables may eliminate their sensitivity to atomic structure. This leaves nuclear structure uncertainties as the main impediment for identifying physics beyond the standard model. We establish that uncertainties in the neutron skin of heavy nuclei are at present too large to measure isotopic ratios to better than the 0.1% accuracy required to test the standard model. However, we argue that such uncertainties will be significantly reduced by the upcoming measurement of the neutron radius in 208^Pb at the Jefferson Laboratory.

An Effective Path Protection Method to Attain the Route Stability in MANET

With the increasing popularity of wireless network and its application, mobile ad-hoc networks (MANETS) emerged recently. MANET topology is highly dynamic in nature and nodes are highly mobile so that the rate of link failure is more in MANET. There is no central control over the nodes and the control is distributed among nodes and they can act as either router or source. MANTEs have been considered as isolated stand-alone network. Node can add or remove at any time and it is not infrastructure dependent. So at any time at any where the network can setup and a trouble free communication is possible. Due to more chances of link failures, collisions and transmission errors in MANET, the maintenance of network became costly. As per the study more frequent link failures became an important aspect of diminishing the performance of the network and also it is not predictable. The main objective of this paper is to study the route instability in AODV protocol and suggest a solution for improvement. This paper proposes a new approach to reduce the route failure by storing the alternate route in the intermediate nodes. In this algorithm intermediate nodes are also involved in the route discovery process. This reduces the route establishment overhead as well as the time to find the reroute when a link failure occurs.

Ecolabeling and Green Certification for Effective Fisheries Management – An Analysis

Nowadays there is a growing environmental concern and the business communities have slowly started recognising environmental protection and sustainable utilization of natural resources into their marketing strategies. This paper discusses the various Ecolabeling and Certification Systems developed world over to regulate and introduce Fair Trade in Ornamental Fish Industry. Ecolabeling and green certification are considered as part of these strategies implemented partly out of compulsion from the National and International Regulatory Bodies and Environmental Movements. All the major markets of ornamental fishes like European Union, USA and Japan have started putting restrictions on the trade to impose ecolabeling as a non tariff barrier like the one imposed on seafood and aqua cultured products. A review was done on the available Ecolabeling and Green Certification Schemes available at local, national and international levels for fisheries including aquaculture and ornamental fish trade and to examine the success and constraints faced by these schemes during its implementation. The primary downside of certification is the multiplicity of ecolabels and cost incurred by applicants for certification, costs which may in turn be passed on to consumers. The studies reveal serious inadequacies in a number of ecolabels and cast doubt on their overall contribution to effective fisheries management and sustainability. The paper also discusses the inititive taken in India to develop guidelines for Green Certification of Fresh water ornamental fishes.

Estimation of Effective Impervious Surface Area of Cochin using Satellite Images

Urbanization refers to the process in which an increasing proportion of a population lives in cities and suburbs. Urbanization fuels the alteration of the Land use/Land cover pattern of the region including increase in built-up area, leading to imperviousness of the ground surface. With increasing urbanization and population pressures; the impervious areas in the cities are increasing fast. An impervious surface refers to an anthropogenic ally modified surface that prevents water from infiltrating into the soil. Surface imperviousness mapping is important for the studies related to water cycling, water quality, soil erosion, flood water drainage, non-point source pollution, urban heat island effect and urban hydrology. The present study estimates the Total Impervious Area (TIA) of the city of Kochi using high resolution satellite image (LISS IV, 5m. resolution). Additionally the study maps the Effective Impervious Area (EIA) by coupling the capabilities of GIS and Remote Sensing. Land use/Land cover map of the study area was prepared from the LISS IV image acquired for the year 2012. The classes were merged to prepare a map showing pervious and impervious area. Supervised Maximum Likelihood Classification (Supervised MLC),which is a simple but accurate method for image classification, is used in calculating TIA and an overall classification accuracy of 86.33% was obtained. Water bodies are 100% pervious, whereas urban built up area are 100% impervious. Further based on percentage of imperviousness, the Total Impervious Area is categorized into various classes

CuInS2/In2S3 Cells using a Cost-effective Technique: Significance of Precursor Ratios on Cell Parameters

Thin film solar cells having structure CuInS2/In2S3 were fabricated using chemical spray pyrolysis (CSP) technique over ITO coated glass. Top electrode was silver film (area 0.05 cm2). Cu/In ratio and S/Cu in the precursor solution for CuInS2 were fixed as 1.2 and 5 respectively. In/S ratio in the precursor solution for In2S3 was fixed as 1.2/8. An efficiency of 0.6% (fill factor -37.6%) was obtained. Cu diffusion to the In2S3 layer, which deteriorates junction properties, is inevitable in CuInS2/In2S3 cell. So to decrease this effect and to ensure a Cu-free In2S3 layer at the top of the cell, Cu/In ratio was reduced to 1. Then a remarkable increase in short circuit current density was occurred from 3 mA/cm2 to 14.8 mA/cm2 and an efficiency of 2.13% was achieved. Also when In/S ratio was altered to 1.2/12, the short circuit current density increased to 17.8 mA/cm2 with an improved fill factor of 32% and efficiency remaining as 2%. Thus Cu/In and In/S ratios in the precursor solutions play a crucial role in determining the cell parameters

Operational Flexibility: A Model for Effective Project Management

The aim of this study is to investigate the role of operational flexibility for effective project management in the construction industry. The specific objectives are to: a) Identify the determinants of operational flexibility potential in construction project management b) Investigate the contribution of each of the determinants to operational flexibility potential in the construction industry c) Investigate on the moderating factors of operational flexibility potential in a construction project environment d) Investigate whether moderated operational flexibility potential mediates the path between predictors and effective construction project management e) Develop and test a conceptual model of achieving operational flexibility for effective project management The purpose of this study is to findout ways to utilize flexibility inorder to manage uncertain project environment and ultimately achieve effective project management. In what configuration these operational flexibility determinants are demanded by construction project environment in order to achieve project success. This research was conducted in three phases, namely: (i) exploratory phase (ii) questionnaire development phase; and (iii) data collection and analysis phase. The study needs firm level analysis and therefore real estate developers who are members of CREDAI, Kerala Chapter were considered. This study provides a framework on the functioning of operational flexibility, offering guidance to researchers and practitioners for discovering means to gain operational flexibility in construction firms. The findings provide an empirical understanding on kinds of resources and capabilities a construction firm must accumulate to respond flexibly to the changing project environment offering practitioners insights into practices that build firms operational flexibility potential. Firms are dealing with complex, continuous changing and uncertain environments due trends of globalization, technical changes and innovations and changes in the customers’ needs and expectations. To cope with the increasingly uncertain and quickly changing environment firms strive for flexibility. To achieve the level of flexibility that adds value to the customers, firms should look to flexibility from a day to day operational perspective. Each dimension of operational flexibility is derived from competences and capabilities. In this thesis only the influence on customer satisfaction and learning exploitation of flexibility dimensions which directly add value in the customers eyes are studied to answer the followingresearch questions: “What is the impact of operational flexibility on customer satisfaction?.” What are the predictors of operational flexibility in construction industry? .These questions can only be answered after answering the questions like “Why do firms need operational flexibility?” and “how can firms achieve operational flexibility?” in the context of the construction industry. The need for construction firms to be flexible, via the effective utilization of organizational resources and capabilities for improved responsiveness, is important because of the increasing rate of changes in the business environment within which they operate. Achieving operational flexibility is also important because it has a significant correlation with a project effectiveness and hence a firm’s turnover. It is essential for academics and practitioners to recognize that the attainment of operational flexibility involves different types namely: (i) Modification (ii) new product development and (iii) demand management requires different configurations of predictors (i.e., resources, capabilities and strategies). Construction firms should consider these relationships and implement appropriate management practices for developing and configuring the right kind of resources, capabilities and strategies towards achieving different operational flexibility types.

Methodische Grundlagen zur Bewahrung und Wiederherstellung großräumig funktionsfähiger ökologischer Beziehungen in der räumlichen Umweltplanung

Mit der Verwirklichung ,Ökologischer Netzwerke‘ werden Hoffnungen zum Stopp des Verlustes der biologischen Vielfalt verknüpft. Sowohl auf gesamteuropäischer Ebene (Pan-European Ecological Network - PEEN) als auch in den einzelnen Staaten entstehen Pläne zum Aufbau von Verbundsystemen. Im föderalen Deutschland werden kleinmaßstäbliche Biotopverbundplanungen auf Landesebene aufgestellt; zum nationalen Biotopverbund bestehen erste Konzepte. Die vorliegende Arbeit ist auf diese überörtlichen, strategisch vorbereitenden Planungsebenen ausgerichtet. Ziele des Verbunds sind der Erhalt von Populationen insbesondere der gefährdeten Arten sowie die Ermöglichung von Ausbreitung und Wanderung. Aufgrund fehlender Datengrundlagen zu den Arten und Populationen ist es nicht ohne weiteres möglich, die Konzepte und Modelle der Populationsökologie in die überörtlichen Planungsebenen zu übertragen. Gemäß der o.g. Zielstellungen sollte sich aber die Planung von Verbundsystemen an den Ansprüchen der auf Verbund angewiesenen Arten orientieren. Ziel der Arbeit war die Entwicklung einer praktikablen GIS-gestützten Planungshilfe zur größtmöglichen Integration ökologischen Wissens unter der Bedingung eingeschränkter Informationsverfügbarkeit. Als Grundlagen dazu werden in Übersichtsform zunächst die globalen, europäisch-internationalen und nationalen Rahmenbedingungen und Anforderungen bezüglich des Aufbaus von Verbundsystemen zusammengestellt. Hier sind die Strategien zum PEEN hervorzuheben, die eine Integration ökologischer Inhalte insbesondere durch die Berücksichtigung räumlich-funktionaler Beziehungen fordern. Eine umfassende Analyse der landesweiten Biotopverbundplanungen der BRD zeigte die teilweise erheblichen Unterschiede zwischen den Länderplanungen auf, die es aktuell nicht ermöglichen, ein schlüssiges nationales Konzept zusammenzufügen. Nicht alle Länder haben landesweite Biotopverbundplanungen und Landeskonzepte, bei denen dem geplanten Verbund die Ansprüche von Arten zugrunde gelegt werden, gibt es nur ansatzweise. Weiterhin wurde eine zielgerichtete Eignungsprüfung bestehender GIS-basierter Modelle und Konzepte zum Verbund unter Berücksichtigung der regelmäßig in Deutschland verfügbaren Datengrundlagen durchgeführt. Da keine integrativen regelorientierten Ansätze vorhanden waren, wurde der vektorbasierte Algorithmus HABITAT-NET entwickelt. Er arbeitet mit ,Anspruchstypen‘ hinsichtlich des Habitatverbunds, die stellvertretend für unterschiedliche ökologische Gruppen von (Ziel-) Arten mit terrestrischer Ausbreitung stehen. Kombiniert wird die Fähigkeit zur Ausbreitung mit einer Grobtypisierung der Biotopbindung. Die wichtigsten Grundlagendaten bilden die jeweiligen (potenziellen) Habitate von Arten eines Anspruchstyps sowie die umgebende Landnutzung. Bei der Bildung von ,Lebensraumnetzwerken‘ (Teil I) werden gestufte ,Funktions- und Verbindungsräume‘ generiert, die zu einem räumlichen System verknüpft sind. Anschließend kann die aktuelle Zerschneidung der Netzwerke durch Verkehrstrassen aufgezeigt werden, um darauf aufbauend prioritäre Abschnitte zur Wiedervernetzung zu ermitteln (Teil II). Begleitend wird das Konzept der unzerschnittenen Funktionsräume (UFR) entworfen, mit dem die Indikation von Habitatzerschneidung auf Landschaftsebene möglich ist. Diskutiert werden schließlich die Eignung der Ergebnisse als kleinmaßstäblicher Zielrahmen, Tests zur Validierung, Vergleiche mit Verbundplanungen und verschiedene Setzungen im GIS-Algorithmus. Erläuterungen zu den Einsatzmöglichkeiten erfolgen beispielsweise für die Bereiche Biotopverbund- und Landschaftsplanung, Raumordnung, Strategische Umweltprüfung, Verkehrswegeplanung, Unterstützung des Konzeptes der Lebensraumkorridore, Kohärenz im Schutzgebietssystem NATURA 2000 und Aufbau von Umweltinformationssystemen. Schließlich wird ein Rück- und Ausblick mit der Formulierung des weiteren Forschungsbedarfs verknüpft.

Projecte Pol·len: Girona, ciutat llavor de la ciència

Del 12 al 15 de maig va tenir lloc a la Facultat d'Educació i Psicologia la celebració del seminari del projecte europeu d'educació científica “Pol·len: Ciutats llavor de ciència”, organitzat entre d'altres, pel Grup de Recerca en Educació Científica i Ambiental del Departament de Didàctiques Específiques