On the transition from localized to delocalized electronic states in divalent-metal clusters

The transition from van der Waals to covalent bonding, which is expected to occur in divalent-metal clusters with increasing cluster size, is discussed. We propose a model which takes into account, within the same electronic theory, the three main competing contributions, namely the kinetic energy of the electrons, the Coulomb interactions between electrons, and the s \gdw p intraatomic transitions responsible for van der Waals like bonding. The model is solved by taking into account electron correlations using a generalized Gutzwiller approximation (slave boson method). The occurrence of electron localization is studied as a function of the interaction parameters and cluster size.

Theory for the change of bond character in divalent-metal clusters

To determine the size dependence of the bonding in divalent-metal clusters we use a many-electron Hamiltonian describing the interplay between van der Waals (vdW) and covalent interactions. Using a saddle-point slave-boson method and taking into account the size-dependent screening of charge fluctuations, we obtain for Hg_n a sharp transition from vdW to covalent bonding for increasing n. We show also, by solving the model Hamiltonian exactly, that for divalent metals vdW and covalent bonding coexist already in the dimers.

Fliesslochformen und Gewindefurchen in dünne Bleche und Rohre aus Kupfer und Kupferlegierungen

This thesis in Thermal Flow Drilling and Flowtap in thin metal sheet and pipes of copper and copper alloys had as objectives to know the comportment of copper and copper alloys sheet metal during the Thermal Flow Drill processes with normal tools, to know the best Speed and Feed machine data for the best bushing quality, to known the best Speed for Form Tapping processes and to know the best bush long in pure copper pipes for water solar interchange equipment. Thermal Flow Drilling (TFD) and Form Tapping (FT) is one of the research lines of the Institute of Production and Logistics (IPL) at University of Kassel. At December 1995, a work meeting of IPL, Santa Catarina University, Brazil, Buenos Aires University, Argentine, Tarapacá University (UTA), Chile members and the CEO of Flowdrill B.V. was held in Brazil. The group decided that the Manufacturing Laboratory (ML) of UTA would work with pure copper and brass alloys sheet metal and pure copper pipes in order to develop a water interchange solar heater. The Flowdrill BV Company sent tools to Tarapacá University in 1996. In 1999 IPL and the ML carried out an ALECHILE research project promoted by the DAAD and CONICyT in copper sheet metal and copper pipes and sheet metal a-brass alloys. The normal tools are lobed, conical tungsten carbide tool. When rotated at high speed and pressed with high axial force into sheet metal or thin walled tube generated heat softens the metal and allows the drill to feed forward produce a hole and simultaneously form a bushing from the displacement material. In the market exist many features but in this thesis is used short and longs normal tools of TFD. For reach the objectives it was takes as references four qualities of the frayed end bushing, where the best one is the quality class I. It was used pure copper and a-brass alloys sheet metals, with different thickness. It was used different TFD drills diameter for four thread type, from M-5 to M10. Similar to the Aluminium sheet metals studies it was used the predrilling processes with HSS drills around 30% of the TFD diameter (1,5 – 3,0 mm D). In the next step is used only 2,0 mm thick metal sheet, and 9,2 mm TFD diameter for M-10 thread. For the case of pure commercial copper pipes is used for ¾” inch diameter and 12, 8 mm (3/8”) TFD drill for holes for 3/8” pipes and different normal HSS drills for predrilling processes. The chemical sheet metal characteristics were takes as reference for the material behaviour. The Chilean pure copper have 99,35% of Cu and 0,163% of Zinc and the Chilean a-brass alloys have 75,6% of Cu and 24,0% of Zinc. It is used two German a-brass alloys; Nº1 have 61,6% of Cu, 36,03 % of Zinc and 2,2% of Pb and the German a-brass alloys Nº2 have 63,1% of Cu, 36,7% of Zinc and 0% of Pb. The equipments used were a HAAS CNC milling machine centre, a Kistler dynamometer, PC Pentium II, Acquisition card, TESTPOINT and XAct software, 3D measurement machine, micro hardness, universal test machine, and metallographic microscope. During the test is obtained the feed force and momentum curves that shows the material behaviour with TFD processes. In general it is take three phases. It was possible obtain the best machining data for the different sheet of copper and a-brass alloys thick of Chilean materials and bush quality class I. In the case of a-brass alloys, the chemical components and the TFD processes temperature have big influence. The temperature reach to 400º Celsius during the TFD processes and the a-brass alloys have some percents of Zinc the bush quality is class I. But when the a-brass alloys have some percents of Lead who have 200º C melting point is not possible to obtain a bush, because the Lead gasify and the metallographic net broke. During the TFD processes the recrystallization structures occur around the Copper and a-brass alloy bush, who gives more hardness in these zones. When the threads were produce with Form Tapping processes with Flowtap tools, this hardness amount gives a high limit load of the thread when hey are tested in a special support that was developed for it. For eliminated the predrilling processes with normal HSS drills it was developed a compound tool. With this new tool it was possible obtain the best machining data for quality class I bush. For the copper pipes it is made bush without predrilling and the quality class IV was obtained. When it is was used predrilling processes, quality classes I bush were obtained. Then with different HSS drill diameter were obtained different long bush, where were soldering with four types soldering materials between pipes with 3/8” in a big one as ¾”. Those soldering unions were tested by traction test and all the 3/8” pipes broken, and the soldering zone doesn’t have any problem. Finally were developed different solar water interchange heaters and tested. As conclusions, the present Thesis shows that the Thermal Flow Drilling in thinner metal sheets of cooper and cooper alloys needs a predrilling process for frayed end quality class I bushings, similar to thinner sheets of aluminium bushes. The compound tool developed could obtain quality class I bushings and excludes predrilling processes. The bush recrystalization, product of the friction between the tool and the material, the hardness grows and it is advantageous for the Form Tapping. The methodology developed for commercial copper pipes permits to built water solar interchange heaters.

Heavy metal and microbial loads in sewage irrigated vegetables of Kabul, Afghanistan

Little is known about the heavy metal and microbial contamination of vegetables produced in Central Asian cities. We therefore measured the concentration of cadmium (Cd), copper (Cu), lead (Pb), and zinc (Zn) and of faecal pathogens (Coliform bacteria, Salmonella sp., Shigella sp., Ascaris lubricoides, Entamoeba sp. and pinworms [Oxyuris vermicularis syn. Enterobius vermicularis]) in soil, irrigation water, and marketed vegetables of Kabul City, Afghanistan. Leaf Pb and Zn concentrations of leafy vegetables were with 1–5 and 33–160 mg kg^{-1} dry weight (DW) several-fold above respective international thresholds of 0.3 mg Pb kg^{-1} and 50 mg Zn kg^{-1}. The tissue concentration of Cu was below threshold limits in all samples except for spinach in one farm. Above-threshold loads of microbes and parasites on vegetables were found in five out of six gardens with coliforms ranging from 0.5–2 × 10^7 cells 100g^{-1} fresh weight (FW), but no Salmonella and Shigella were found. Contamination with 0.2 × 10^7 eggs 100g^{-1} FW of Ascaris was detected on produce of three farms and critical concentrations of Entamoeba in a single case, while Oxyuris vermicularis, and Enterobius vermicularis were found on produce of three and four farms, respectively. Irrigation water had Ascaris, Coliforms, Salmonella, Shigella, Entamoeba, and Oxyuris vermicularis syn. Enterobius vermicularis ranging from 0.35 × 10^7 to 2 × 10^7 cells l^{-1}. The heavy metal and microbial loads on fresh UPA vegetables are likely the result of contamination from rising traffic, residues of the past decades of war and lacking treatment of sewage which needs urgent attention.

Theoretical study of magnetism, structure and chemical order in transition-metal alloy clusters

Research on transition-metal nanoalloy clusters composed of a few atoms is fascinating by their unusual properties due to the interplay among the structure, chemical order and magnetism. Such nanoalloy clusters, can be used to construct nanometer devices for technological applications by manipulating their remarkable magnetic, chemical and optical properties. Determining the nanoscopic features exhibited by the magnetic alloy clusters signifies the need for a systematic global and local exploration of their potential-energy surface in order to identify all the relevant energetically low-lying magnetic isomers. In this thesis the sampling of the potential-energy surface has been performed by employing the state-of-the-art spin-polarized density-functional theory in combination with graph theory and the basin-hopping global optimization techniques. This combination is vital for a quantitative analysis of the quantum mechanical energetics. The first approach, i.e., spin-polarized density-functional theory together with the graph theory method, is applied to study the Fe$_m$Rh$_n$ and Co$_m$Pd$_n$ clusters having $N = m+n \leq 8$ atoms. We carried out a thorough and systematic sampling of the potential-energy surface by taking into account all possible initial cluster topologies, all different distributions of the two kinds of atoms within the cluster, the entire concentration range between the pure limits, and different initial magnetic configurations such as ferro- and anti-ferromagnetic coupling. The remarkable magnetic properties shown by FeRh and CoPd nanoclusters are attributed to the extremely reduced coordination number together with the charge transfer from 3$d$ to 4$d$ elements. The second approach, i.e., spin-polarized density-functional theory together with the basin-hopping method is applied to study the small Fe$_6$, Fe$_3$Rh$_3$ and Rh$_6$ and the larger Fe$_{13}$, Fe$_6$Rh$_7$ and Rh$_{13}$ clusters as illustrative benchmark systems. This method is able to identify the true ground-state structures of Fe$_6$ and Fe$_3$Rh$_3$ which were not obtained by using the first approach. However, both approaches predict a similar cluster for the ground-state of Rh$_6$. Moreover, the computational time taken by this approach is found to be significantly lower than the first approach. The ground-state structure of Fe$_{13}$ cluster is found to be an icosahedral structure, whereas Rh$_{13}$ and Fe$_6$Rh$_7$ isomers relax into cage-like and layered-like structures, respectively. All the clusters display a remarkable variety of structural and magnetic behaviors. It is observed that the isomers having similar shape with small distortion with respect to each other can exhibit quite different magnetic moments. This has been interpreted as a probable artifact of spin-rotational symmetry breaking introduced by the spin-polarized GGA. The possibility of combining the spin-polarized density-functional theory with some other global optimization techniques such as minima-hopping method could be the next step in this direction. This combination is expected to be an ideal sampling approach having the advantage of avoiding efficiently the search over irrelevant regions of the potential energy surface.

Magnetic interactions between transition metal impurities and clusters mediated by low-dimensional metallic hosts: A first principles theoretical investigation

The magnetic properties and interactions between transition metal (TM) impurities and clusters in low-dimensional metallic hosts are studied using a first principles theoretical method. In the first part of this work, the effect of magnetic order in 3d-5d systems is addressed from the perspective of its influence on the enhancement of the magnetic anisotropy energy (MAE). In the second part, the possibility of using external electric fields (EFs) to control the magnetic properties and interactions between nanoparticles deposited at noble metal surfaces is investigated. The influence of 3d composition and magnetic order on the spin polarization of the substrate and its consequences on the MAE are analyzed for the case of 3d impurities in one- and two-dimensional polarizable hosts. It is shown that the MAE and easy- axis of monoatomic free standing 3d-Pt wires is mainly determined by the atomic spin-orbit (SO) coupling contributions. The competition between ferromagnetic (FM) and antiferromagnetic (AF) order in FePtn wires is studied in detail for n=1-4 as a function of the relative position between Fe atoms. Our results show an oscillatory behavior of the magnetic polarization of Pt atoms as a function of their distance from the magnetic impurities, which can be correlated to a long-ranged magnetic coupling of the Fe atoms. Exceptionally large variations of the induced spin and orbital moments at the Pt atoms are found as a function of concentration and magnetic order. Along with a violation of the third Hund’s rule at the Fe sites, these variations result in a non trivial behavior of the MAE. In the case of TM impurities and dimers at the Cu(111), the effects of surface charging and applied EFs on the magnetic properties and substrate-mediated magnetic interactions have been investigated. The modifications of the surface electronic structure, impurity local moments and magnetic exchange coupling as a result of the EF-induced metallic screening and charge rearrangements are analysed. In a first study, the properties of surface substitutional Co and Fe impurities are investigated as a function of the external charge per surface atom q. At large inter-impurity distances the effective magnetic exchange coupling ∆E between impurities shows RKKY-like oscillations as a function of the distance which are not significantly affected by the considered values of q. For distances r < 10 Å, important modifications in the magnitude of ∆E, involving changes from FM to AF coupling, are found depending non-monotonously on the value and polarity of q. The interaction energies are analysed from a local perspective. In a second study, the interplay between external EF effects, internal magnetic order and substrate-mediated magnetic coupling has been investigated for Mn dimers on Cu(111). Our calculations show that EF (∼ 1eV/Å) can induce a switching from AF to FM ground-state magnetic order within single Mn dimers. The relative coupling between a pair of dimers also shows RKKY-like oscillations as a function of the inter-dimer distance. Their effective magnetic exchange interaction is found to depend significantly on the magnetic order within the Mn dimers and on their relative orientation on the surface. The dependence of the substrate-mediated interaction on the magnetic state of the dimers is qualitatively explained in terms of the differences in the scattering of surface electrons. At short inter-dimer distances, the ground-state configuration is determined by an interplay between exchange interactions and EF effects. These results demonstrate that external surface charging and applied EFs offer remarkable possibilities of manipulating the sign and strength of the magnetic coupling of surface supported nanoparticles.

First-principles electronic theory of non-collinear magnetic order in transition-metal nanowires

The structural, electronic and magnetic properties of one-dimensional 3d transition-metal (TM) monoatomic chains having linear, zigzag and ladder geometries are investigated in the frame-work of first-principles density-functional theory. The stability of long-range magnetic order along the nanowires is determined by computing the corresponding frozen-magnon dispersion relations as a function of the 'spin-wave' vector q. First, we show that the ground-state magnetic orders of V, Mn and Fe linear chains at the equilibrium interatomic distances are non-collinear (NC) spin-density waves (SDWs) with characteristic equilibrium wave vectors q that depend on the composition and interatomic distance. The electronic and magnetic properties of these novel spin-spiral structures are discussed from a local perspective by analyzing the spin-polarized electronic densities of states, the local magnetic moments and the spin-density distributions for representative values q. Second, we investigate the stability of NC spin arrangements in Fe zigzag chains and ladders. We find that the non-collinear SDWs are remarkably stable in the biatomic chains (square ladder), whereas ferromagnetic order (q =0) dominates in zigzag chains (triangular ladders). The different magnetic structures are interpreted in terms of the corresponding effective exchange interactions J(ij) between the local magnetic moments μ(i) and μ(j) at atoms i and j. The effective couplings are derived by fitting a classical Heisenberg model to the ab initio magnon dispersion relations. In addition they are analyzed in the framework of general magnetic phase diagrams having arbitrary first, second, and third nearest-neighbor (NN) interactions J(ij). The effect of external electric fields (EFs) on the stability of NC magnetic order has been quantified for representative monoatomic free-standing and deposited chains. We find that an external EF, which is applied perpendicular to the chains, favors non-collinear order in V chains, whereas it stabilizes the ferromagnetic (FM) order in Fe chains. Moreover, our calculations reveal a change in the magnetic order of V chains deposited on the Cu(110) surface in the presence of external EFs. In this case the NC spiral order, which was unstable in the absence of EF, becomes the most favorable one when perpendicular fields of the order of 0.1 V/Å are applied. As a final application of the theory we study the magnetic interactions within monoatomic TM chains deposited on graphene sheets. One observes that even weak chain substrate hybridizations can modify the magnetic order. Mn and Fe chains show incommensurable NC spin configurations. Remarkably, V chains show a transition from a spiral magnetic order in the freestanding geometry to FM order when they are deposited on a graphene sheet. Some TM-terminated zigzag graphene-nanoribbons, for example V and Fe terminated nanoribbons, also show NC spin configurations. Finally, the magnetic anisotropy energies (MAEs) of TM chains on graphene are investigated. It is shown that Co and Fe chains exhibit significant MAEs and orbital magnetic moments with in-plane easy magnetization axis. The remarkable changes in the magnetic properties of chains on graphene are correlated to charge transfers from the TMs to NN carbon atoms. Goals and limitations of this study and the resulting perspectives of future investigations are discussed.

Poly-Si₁₋xGex Film Growth for Ni Germanosilicided Metal Gate

Scaling down of the CMOS technology requires thinner gate dielectric to maintain high performance. However, due to the depletion of poly-Si gate, it is difficult to reduce the gate thickness further especially for sub-65 nm CMOS generation. Fully silicidation metal gate (FUSI) is one of the most promising solutions. Furthermore, FUSI metal gate reduces gate-line sheet resistance, prevents boron penetration to channels, and has good process compatibility with high-k gate dielectric. Poly-SiGe gate technology is another solution because of its enhancement of boron activation and compatibility with the conventional CMOS process. Combination of these two technologies for the formation of fully germanosilicided metal gate makes the approach very attractive. In this paper, the deposition of undoped Poly-Si₁₋xGex (0 < x < 30% ) films onto SiO₂ in a low pressure chemical vapor deposition (LPCVD) system is described. Detailed growth conditions and the characterization of the grown films are presented.

Música, mujeres, hombres y contradicciones : la construcción del género en la escena del Death Metal en Bogotá

A lo largo del texto pretendo mostrar un estudio de caso de cómo se puede entender el género de manera más sutil, al plantear que hay formas alternativas de ver la feminidad y cómo se construye una nueva forma de ser mujer a partir de elementos masculinos. Es por esto, que este trabajo muestra que existen variaciones en el género que se deben tener en cuenta. Siguiendo esta línea de trabajo, procederé en el primer apartado a revisar de qué manera se realizó la investigación, teniendo en cuenta las diferentes fases en las que se realizó y las técnicas utilizadas. A continuación, en la segunda parte del texto, haré una revisión del concepto de género, para poder explicar qué son la masculinidad y la feminidad, al igual que los espacios masculinos. En el tercera parte, veremos cómo es la escena del Death Metal en Bogotá, lo que servirá de introducción para hablar de cómo se construye el género en este espacio. En el cuarto y el quinto apartado realizaremos un análisis de cómo son los hombres y las mujeres en esta escena, respectivamente. Para realizar esta explicación tomaré en cuenta la literatura sobre género, al igual que los resultados encontrados a lo largo de la investigación, para así determinar cómo se comprende la feminidad en el Death Metal, explicando la manera en que las mujeres de la escena construyen una forma alternativa de ser mujer. Finalmente, retomaremos las ideas principales del texto para establecer que hay una forma particular en la que se construye el género en esta escena, encontrando que existen vías no tradicionales de pensarse como mujer.

Històries d´aula. Un company d´aprenentatge particular. 'Historias de aula. Un compañero de aprendizaje particular'.

Resumen tomado de la publicación

Ángeles ascendentes y demonios caídos: construcción de subjetividad, metal y cristianismo en la iglesia Comunidad Pantokrator en Bogotá

Esta tesis es el resultado de un ejercicio interdisciplinar, tanto metodológico como teórico, para observar y analizar las lógicas de construcción de subjetividad que se entraman en una iglesia evangélica y pentecostal en el sur de Bogotá llamada Comunidad Pantokrator. Allí, el cristianismo interactúa y afecta la particularidad más significativa de esta iglesia: la presencia de la subcultura del rock y del metal. En este encuentro que pareciera contradictorio entre el cristianismo y el metal, se presentan mecanismos sociales que son parte de la construcción de una subjetividad metalera y cristiana, que altera el modo en el que los asistentes de Pantokrator se entienden a sí mismos, a su congregación y a la realidad social a la que se enfrentan diariamente. En este trabajo, se relata la construcción de esos mecanismos y su operación sobre la estructura jerárquica de la iglesia, los procesos de conversión religiosa y la asunción de su fe cristiana y la forma en la que definen al mundo social que los rodea, especialmente a otras comunidades cristianas y al metal secular.

Company Challenge Project: L'Oréal Brandstorm 2013

Creación de plan de negocios completo, para la escogencia y el lanzamiento de un producto de la línea L’Oréal Paris que no estuviera presente en el mercado del sudeste asiático (Singapur, Filipinas, Camboya, Laos, Indonesia, Malasia) e India, y adicionalmente crear un nuevo producto que estuviera ligado al escogido en la primera parte.

Identifying job skills in commercial advisors in a health insurance company

The aim of this research was to identify the criticalcompetence of success of the commercial adviserin a company providing insurance and health services.For this research a sample of 34 commercialadvisers. The sample was divided into four groups(two per product and two per criterion of success).Systematic fi eld observations, interviews of criticalincidents, application of response tests and salesworkshops were used to evaluate the differentialcompetences that the successful advisers wereshowing in relation to the advisers de fi ned as average.The success criteria were based on the generatedcommission performance over the 10 months. Allin all, signi fi cant differences were found betweenthe “successful” and “average” groups. Furthermore,competences that correlate positively with atop sales performance were observed and competencesthat have major level of discrimination betweenthe “successful” and “average” groups wereestablished. Orientation to achievement, planningand management, information search, commercialaggressiveness and strategic vision are the competencesthat were considered to be key in the topperformance of a sales agent or commercial adviser.Additionally, the results in the response testswere analyzed in the four study groups, withoutobserving signi fi cant differences between them,which supports the theoretical framework of thepresent study.

Excessive work or addiction to work: workaholism in a Colombian company. Pilot study trough application of DUWAS test

This paper examines the workaholism phenomenon in different work situations in Colombian company. Workaholism was defined as the individual’s steady and considerable allocation of time to work, which is not derived from external necessities (1). The research studies about workaholics and workaholism have been increasing a lot in the last years (2). Workaholism is an addiction that actually is affecting a lot of people around the world and has serious consequences in personal life, in the community and also in economy. Some of these researches are directed to explore ways to diagnose when a person is workaholic and when this situation may affect the performanceof the individual in work, daily life activities and especially in psychosocial area. Objective: this pilot study contributes to identify if Colombian workers present the main characteristicsof workaholism and if the job they perform is related to the presence of the characteristics of this addiction. Materials and method: for this pilot study used the Dutch Work Addiction Scale(DUWAS), this test suggests when a person has work addiction, trough the evaluation of two main components working excessively and working compulsively. Results: the study find differences for the two groups: the 67% of the AE group are over the average while only the 33% of the members of the O group are over it. Conclusions: these percentages show that the combinations of the components of workaholism are more evident in the population belonging to the administrative/executive jobs group, giving evidence that workaholism is presented in greater proportion in the population performance management positions.