Degrees of Free Word-Order and Freely Rewriting Restarting Automata

In natural languages with a high degree of word-order freedom syntactic phenomena like dependencies (subordinations) or valencies do not depend on the word-order (or on the individual positions of the individual words). This means that some permutations of sentences of these languages are in some (important) sense syntactically equivalent. Here we study this phenomenon in a formal way. Various types of j-monotonicity for restarting automata can serve as parameters for the degree of word-order freedom and for the complexity of word-order in sentences (languages). Here we combine two types of parameters on computations of restarting automata: 1. the degree of j-monotonicity, and 2. the number of rewrites per cycle. We study these notions formally in order to obtain an adequate tool for modelling and comparing formal descriptions of (natural) languages with different degrees of word-order freedom and word-order complexity.

Asymptotics of number fields and the Cohen-Lenstra heuristics

We study the asymptotics conjecture of Malle for dihedral groups Dl of order 2l, where l is an odd prime. We prove the expected lower bound for those groups. For the upper bounds we show that there is a connection to class groups of quadratic number fields. The asymptotic behavior of those class groups is predicted by the Cohen-Lenstra heuristics. Under the assumption of this heuristic we are able to prove the expected upper bounds.

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.