Complex and Adaptive Dynamical Systems: A Primer

An thorough introduction is given at an introductory level to the field of quantitative complex system science, with special emphasis on emergence in dynamical systems based on network topologies. Subjects treated include graph theory and small-world networks, a generic introduction to the concepts of dynamical system theory, random Boolean networks, cellular automata and self-organized criticality, the statistical modeling of Darwinian evolution, synchronization phenomena and an introduction to the theory of cognitive systems. It inludes chapter on Graph Theory and Small-World Networks, Chaos, Bifurcations and Diffusion, Complexity and Information Theory, Random Boolean Networks, Cellular Automata and Self-Organized Criticality, Darwinian evolution, Hypercycles and Game Theory, Synchronization Phenomena and Elements of Cognitive System Theory.Comment: unformatted version of the textbook; published in Springer, Complexity Series (2008, second edition 2010

Multi-Objective and Multi-Attribute Optimisation for Sustainable Development Decision Aiding

Optimization is considered as a decision-making process for getting the most out of available resources for the best attainable results. Many real-world problems are multi-objective or multi-attribute problems that naturally involve several competing objectives that need to be optimized simultaneously, while respecting some constraints or involving selection among feasible discrete alternatives. In this Reprint of the Special Issue, 19 research papers co-authored by 88 researchers from 14 different countries explore aspects of multi-objective or multi-attribute modeling and optimization in crisp or uncertain environments by suggesting multiple-attribute decision-making (MADM) and multi-objective decision-making (MODM) approaches. The papers elaborate upon the approaches of state-of-the-art case studies in selected areas of applications related to sustainable development decision aiding in engineering and management, including construction, transportation, infrastructure development, production, and organization management

Magnetic neutron scattering from transition metal alloys

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Quantum criticality and non-equilibrium dynamics in correlated electron systems

In this thesis, several cases of non-equilibrium phenomena and quantum phase transitions in strongly correlated electron systems are analyzed. The unconventional critical behavior near magnetic quantum phase transitions in various heavy-fermion metals has triggered proposals on the breakdown of the Kondo effect at the critical point. In part I, we investigate, within one specific scenario, the fate of such a zero-temperature transition upon coupling of the electronic to lattice degrees of freedom. We study a Kondo-Heisenberg model with volume-dependent Kondo coupling � this model displays both Kondo volume collapse and Kondo-breakdown transitions. Within a large-N treatment, we find that the Kondo breakdown transition remains of second order except for very soft lattices. Finally, we relate our findings to current heavy-fermion experiments. Using non-equilibrium Green�s functions, we derive transport equations for the degrees of freedom participating in the quantum critical region of the Kondo breakdown transition. We discuss conditions under which the transport of electrical charge is described by the independent motion of conduction electrons and auxiliary bosons. Under these conditions, we derive a semiclassical transport equation for the bosons and quantitatively discuss the electrical conductivity of the whole system. Motivated by pressure experiments on FeAs-122 superconductors, in part II we propose a scenario based on local-moment physics to explain salient features at the magnetic phase boundary of CaFe2As2. In this scenario, the low-pressure magnetic phase derives from Fe moments, which become screened in the paramagnetic high-pressure phase. The quantum phase transition can be described as an orbital-selective Mott transition, which is rendered first order by coupling to the lattice. These ideas are illustrated by a suitable mean-field analysis of an Anderson lattice model. An analytical description of non-equilibrium phenomena in interacting quantum systems is rarely possible. In part III we present one example where such a description can be achieved, namely the ferromagnetic Kondo model. In equilibrium, this model is tractable via perturbative renormalization-group techniques. We employ a recently developed extension of the flow-equation method to calculate the non-equilibrium decay of the local magnetization at zero temperature. The flow equations admit analytical solutions which become exact at short and long times, in the latter case revealing that the system always retains a memory of its initial state. Finally, in part IV we analyze the Nernst effect resulting from normal state quasiparticles in the cuprates in presence of various types of translational symmetry breaking. In the electron-doped cuprates, the Nernst signal resulting from a reconstruction of the Fermi surface due to spin density wave order is discussed. An order parameter consistent with the reconstruction of the Fermi surface detected in electron-doped materials is shown to sharply enhance the Nernst signal close to optimal doping. Within a semiclassical treatment, the obtained magnitude and position of the enhanced Nernst signal agrees with Nernst measurements in electron-doped cuprates. In the hole-doped cuprates, we discuss relations between the normal-state Nernst effect and stripe order. We find that Fermi pockets caused by translational symmetry breaking lead to a strongly enhanced Nernst signal with a sign depending on the modulation period of the ordered state and other details of the Fermi surface. This implies differences between antiferromagnetic and charge-only stripes. We compare our findings with recent data from La1.6−xNd0.4SrxCuO4 and YBa2Cu3Oy

X-ray structure of the Na+-coupled Glycine-Betaine symporter BetP from Corynebacterium glutamicum

Cellular membranes are important sites of interaction between cells and their environment. Among the multitude of macromolecular complexes embedded in these membranes, transporters play a particularly important role. These integral membrane proteins perform a number of vital functions that enable cell adaptation to changing environmental conditions. Osmotic stress is a major external stimulus for cells. Bacteria are frequently exposed to either hyperosmotic or hypoosmotic stress. Typical conditions for soil bacteria, such as Corynebacterium glutamicum, vary between dryness and sudden rainfall. Physical stimuli caused by osmotic stress have to be sensed and used to activate appropriate response mechanisms. Hypoosmotic stress causes immediate and uncontrolled influx of water. Cells counteract by instantly opening mechanosensitive channels, which act as emergency valves leading to fast efflux of small solutes out of the cell, therebydiminishing the osmotic gradient across the cell membrane. Hyperosmotic stress, on the other hand, results in water efflux. This is counterbalanced by an accumulation of small, osmotically active solutes in the cytoplasm, the so-called compatible solutes. They comprise a large variety of substances, including amino acids (proline), amino acid derivatives (betaine, ectoine), oligosaccharides (trehalose), and heterosides (glucosylglycerol). Osmoregulated transporters sense intracellular osmotic pressure and respond to hyperosmotic stress by facilitating the inward translocation of compatible solutes across the cell membrane, to restore normal hydration levels. This work presents the first X-ray structure of a member of the Betaine-Choline-Carnitine-Transporter (BCCT) family, BetP. This Na+-coupled symporter from Corynebacterium glutamicum is a highly effective osmoregulated and specific uptake system for glycine-betaine. X-ray structure determination was achieved using single wavelength anomalous dispersion (SAD) of selenium atoms. Selenium was incorporated into the protein during its expression in methione auxotrophic E. coli cells, grown in media supplemented with selenomethionine. SAD data with anomalous signal up to 5 Å led to the detection of 39 selenium sites, which were used to calculate the initial electron density map of the protein. Medium resolution and high data anisotropy made the structure determination of BetP a challenging task. A specific strategy for data anisotropy correction and a combination of various crystallographic programs were necessary to obtain an interpretable electron density map suitable for model building. The crystal structure of BetP shows a trimer with glycine-betaine bound in a three-fold cation-pi interaction built by conserved tryptophan residues. The bound substrate is occluded from both sides of the membrane and aromatic side chains line its transport pathway. Very interestingly, the structure reveals that the alpha-helical C-terminal domain, for which a chemo- and osmosensory function was elucidated by biochemical methods, interacts with cytoplasmic loops of an adjacent monomer. These unexpected monomer-monomer interactions are thought to be crucial for the activation mechanism of BetP, and a new atomic model combing biochemical results with the crystal structure is proposed. BetP is shown to have the same overall fold as three unrelated Na+-coupled symporters. While these were crystallised in either the outward- or inward-facing conformation, BetP reveals a unique intermediate state, opening new perspectives on the alternating access mechanism of transport

Spatial Propagation and Characterization of Quantum States of Light in Integrated Photonic Devices

In this dissertation we introduce a quantum theory of propagation of light in integrated photonic devices. The necessity of this theory is justi ed due to the conceptual and formal inconsistencies the Hamiltonian theory presents when dealing with propagation problems. Taking into account the orthonormalization property and the modal norms, we carry out a canonical quantization of the ux of Momentum and derive Heisenberg equations. We apply it to coupling devices with di erent features of the refractive index: inhomogeneities, nonlinear response and losses; like N N linear and nonli- near directional couplers and spontaneous parametric down conversion and spontaneous four wave mixing-based nonlinear inhomogeneous waveguides. Likewise, we introduce the optical eld-strength space and the amplitude probability distributions in this representation, and by means of a spatial- type Lagrangian theory we derive by path integration propagators in this space for di erent-media based devices. In this way we solve the propagation for discrete and continuous variables. Next, we present a new method of characterization of quantum states introducing a generalized quantum polarization, based on the con nement in particular regions of the optical eld space of the probability distributions of quantum states. Likewise, we propose a consistent polarization degree, a gure which measures how di erent a state is from a full unpolarized one, showing its application to the characterization of various examples of stationary and dynamic quantum states. The last aim of this dissertation is to measure quantum states of light propagating in integrated photonic devices. We designe a versatile and relia- ble electro-optic integrated device to accomplish this goal. This device allows carrying out any SU(2) unitary transformation and is able to be nested as well, allowing its extension to SU(N) transformations. Likewise, it outper- forms other current schemes based on pasive directional couplers due to its ability to reduce the e ect produced by fabrication errors, a very important fact when complex circuits are involved. We perform simulations and show possible applications. In summary, in this thesis we develop tools to design and simulate the performance of photonic devices, as well as propose a characterization me- thod for quantum states propagating within, with interest in the conti- nuously growing eld of integrated quantum photonics