Bacterial ecology of ancient Saharan salt-enrichment ponds at Teguidda-n-Tessoumt

Little is known about the bacterial ecology of evaporative salt-mining sites (salterns) of which Teguidda-n-Tessoumt at the fringe of the West-African Saharan desert in Niger is a spectacular example with its many-centuries-old and very colorful evaporation ponds. During the different enrichment steps of the salt produced as a widely traded feed supplement for cattle, animal manure is added to the crude brine, which is then desiccated and repeatedly crystallized. This study describes the dominant Bacteria and Archaea communites in the brine from the evaporation ponds and the soil from the mine, which were determined by PCR-DGGE of 16S rDNA. Correspondence analysis of the DGGE-community fingerprints revealed a change in community structure of the brine samples during the sequential evaporation steps which was, however, unaffected by the brine's pH and electric conductivity (EC). The Archaea community was dominated by a phylogenetically diverse group of methanogens, while the Bacteria community was dominated by gamma proteobacteria. Microorganisms contained in the purified salt product have the potential to be broadly disseminated and are fed to livestock across the region. In this manner, the salt mines represent an intriguing example of long-term human activity that has contributed to the continual selection, cultivation, and dissemination of cosmopolitan microorganisms.

Theoretical study of the structural dependence of nuclear quadrupole frequencies in high-T_c superconductors

The remarkable difference between the nuclear quadrupole frequencies v_Q of Cu(1) and Cu(2) in YBa_2Cu_3O_6 and YBa_2Cu_3O_7 is analyzed. We calculate the ionic contribution to the electric field gradients and estimate, by using experimental results for Cu_2O and La_2CuO_4, the contribution of the d valence electrons. Thus, we determine v_Q1, v_Q2, and the asymmetry parameter η for YBa_2Cu_3O_6 and YBa_2Cu_3O_7. The number of holes in dthe Cu-O planes and chains is found to be important for the different behavior of v_Q1 and v_Q2.

Theoretical evidence for quasi-molecular structure at small internuclear distances in elastic ion-atom scattering

The potential energy curve of the system Ne-Ne is calculated for small internuclear distances from 0.005 to 3.0 au using a newly developed relativistic molecular Dirac-Fock-Slater code. A significant structure in the potential energy curve is found which leads to a nearly complete agreement with experimental differential elastic scattering cross sections. This demonstrates the presence of quasi-molecular effects in elastic ion-atom collisions at keV energies.

First results of experimental and theoretical investigations on sextet states of doubly-excited five-electron ions

In continuation of our previous work on doubly-excited ions with three and four electrons we present the first results on optical transitions in the term system of doubly-excited ions with five electrons. Transitions between such sextet states were identified in beam-foil spectra of the ions nitrogen, oxygen and fluorine. Assignments were first established by comparison with Multi-Configuration Dirac-Fock calculations. Later assignments were aided by Multi-Configuration Hartree-Fock calculations (see the contribution by G. Miecznik et al. in this issue). Decay curves were recorded for all six candidate lines. The lifetime results are compared to theoretical values which confirm most of the assignments qualitatively.

Theoretical study of the physicochemical properties of the light transactinides

A theoretical study of the physicochemical properties of elements 104, 105, and 106 and their compounds in the gas phase and aqueous solutions has been undertaken using relativistic atomic and molecular codes. Trends in properties such as bonding, ionization potentials, electron affinities, energies of electronic transitions, stabilities of oxidation states etc. have been defined within the corresponding chemical groups and within the transactinides. These trends are shown to be determined by increasing relativistic effects within the groups. The behaviour of some gas phase compounds and complexes in solutions is predicted for the gas chromatography and solvent extraction experiments. Redox potentials in aqueous solutions of these elements are estimated.

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.

Mobiles Lernen

In ihrer Arbeit "Mobiles Lernen. Analyse des Wissenschaftsprozesses der britischen und deutschsprachigen medienpädagogischen und erziehungswissenschaftlichen Mobile-Learning-Diskussion." zeichnet Judith Seipold die Phasen und Entwicklungslinien der bisherigen und naturwüchsigen Diskussion um das Mobile Lernen nach. Dabei eröffnet sie mit ihrer Analyse des vornehmlich britischen Wissenschaftsprozesses des Mobilen Lernens ab Beginn des 21. Jahrhunderts den Blick auf die Struktur der medienpädagogischen und erziehungswissenschaftlichen Mobile-Learning-Diskussion, auf deren Kontexte, Bezugspunkte, Perspektiven und theoretische Schwerpunkte, aber auch Erfolge und Problembereiche in der praktischen Umsetzung des Lernens mit Mobiltechnologien in formalisierten Lernkontexten wie dem des Schulunterrichts. Auf diese Weise liefert die Autorin eine Systematik, die nicht nur die britische Diskussion für die deutschsprachige Medienpädagogik verfügbar macht, sondern auch eine neue und systematisch begründete Reflexionsebene für eine aktuelle medienpädagogische Entwicklung – das Mobile Lernen – bildet. Zunächst widmet sich die Autorin der Analyse des Wissenschaftsprozesses der bisherigen britischen und teils auch der deutschsprachigen Mobile-Learning-Diskussion. Um diesen Prozess in seiner Struktur greifbar zu machen, skizziert sie die Bezugsdisziplinen, aus denen die medienpädagogische und erziehungswissenschaftliche Mobile-Learning-Forschung schöpft, arbeitet die Legitimationsbasis auf, auf die sich Mobiles Lernen stützt, zeichnet die historische Entwicklung der Diskussion nach, die sowohl Alltagsnutzung von Mobiltechnologien als auch den Fachdiskurs einschließt, und erläutert innerhalb ihres Modells der Phasen und Entwicklungslinien Mobilen Lernens Theorien, Konzepte und Modelle, die in der Mobile-Learning-Community als zentral für Analyse und Planung Mobilen Lernens erachtet werden. Konzepte und Modelle, die in der Mobile-Learning-Diskussion die Rolle der Lernenden in das Zentrum der Betrachtungen rücken und eine explizite Handlungsorientierung unterstützen, sind Kernbereich des theoriebasierten Teils der Arbeit. Überlegungen zu einer „Sozio-kulturellen Ökologie Mobilen Lernens“, zu „user-generated contexts“ und zu einer „kulturökologisch informierten Didaktik des Mobilen Lernens“ sind dabei sowohl reflektierende Einordnung aktueller Konzepte und Modelle als auch theoretische und konzeptionelle Basis für die praktische Umsetzung Mobilen Lernens. Um die Rolle der Handlungskompetenzen, kulturellen Praktiken und Strukturen der Lerner bei der Nutzung von Mobiltechnologien für Lernen analytisch zu fassen, finden im Praxis-Kapitel Planungs- und Analyseschemata unter Rückgriff auf Beispiele aus der Praxisforschung und der Implementierung mobilen Lernens in den Schulunterricht Anwendung. Ihre Erörterungen rahmt die Autorin abschließend kritisch und weist zum einen auf bildungspolitische, strukturelle und handlungspraktische Implikationen hin, die sich aus der Mobile-Learning-Diskussion ergeben; zum anderen lenkt sie das Augenmerk auf Gegensätze und Dialektiken des Mobilen Lernens, die sich im Spannungsfeld zwischen alltäglicher mobiler Mediennutzung und der teils theoretisch informierten schulischen Verwendung von Mobiltechnologien zum Lernen entfalten. Sie gilt es, im weiteren Verlauf der Diskussion zu hinterfragen und aufzulösen.

The Political Ecology of Salmon Aquaculture in Chile

Every German consumes per year, 15% is salmon, which is the third most popular fish in Germany after Alaska-Seelachs and Hering (Keller/Kress 2013: 9). But where does the salmon that ends up on our plates every 6th time we eat fish come from? There's no obligation for producers to declare the origin of their fish products, but if they do so, the latin name of the fish, catching method and catch area should be declared. Salmon, of which about 40% are captured in the wild and the rest brought up in aquacultures, could then be declared as follows: Salmon (salmo salar), aquaculture from Chile. Without any doubt, this makes consumption more transparent, but the standards of production – both, social and ecological ones – and the ecological impacts are still kept in the dark.

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.

Theoretical and experimental study of intracavity laser absorption spectroscopy

In this thesis, a dual mode tunable gas sensor based on intracavity laser absorption spectroscopy (ICLAS) principle is investigated, both, numerically and experimentally. In order to minimize the cost and size of the gas sensor, relative intensity noise (RIN) is implemented as a detection parameter. Investigation is performed to determine the effect of injection current, operating temperature, mode spacing, and cavity length on RIN. It has been found that it is best to operate the gas sensor at smaller mode spacing and near the threshold current or at larger mode spacing and far above the threshold current for the use of RIN as the readout parameter.