Effective one-dimensional square well for two-dimensional quantum wires

The symmetrical two-dimensional quantum wire with two straight leads joined to an arbitrarily shaped interior cavity is studied with emphasis on the single-mode approximation. It is found that for both transmission and bound-state problems the solution is equivalent to that for an energy-dependent one-dimensional square well. Quantum wires with a circular bend, and with single and double right-angle bends, are examined as examples. We also indicate a possible way to detect bound states in a double bend based on the experimental setup of Wu et al.

Finite-well potential in the 3D nonlinear Schrodinger equation: application to Bose-Einstein condensation

Using variational and numerical solutions we show that stationary negative-energy localized (normalizable) bound states can appear in the three-dimensional nonlinear Schrodinger equation with a finite square-well potential for a range of nonlinearity parameters. Below a critical attractive nonlinearity, the system becomes unstable and experiences collapse. Above a limiting repulsive nonlinearity, the system becomes highly repulsive and cannot be bound. The system also allows nonnormalizable states of infinite norm at positive energies in the continuum. The normalizable negative-energy bound states could be created in BECs and studied in the laboratory with present knowhow.

Scaling dynamics for a particle in a time-dependent potential well

Some dynamical properties for a classical particle confined in an infinitely deep box of potential containing a periodically oscillating square well are studied. The dynamics of the system is described by using a two-dimensional non-linear area-preserving map for the variables energy and time. The phase space is mixed and the chaotic sea is described using scaling arguments. Scaling exponents are obtained as a function of all the control parameters, extending the previous results obtained in the literature. (c) 2012 Elsevier B.V. All rights reserved.

Integración de políticas medio ambientales: Transformaciones institucionales en España

La Integración de la Políticas Ambientales (IPA) consiste en la incorporación de los objetivos ambientales en todos los estadios de elaboración e implementación de las políticas no ambientales (o sectoriales), con un reconocimiento específico de dicho objetivo como principio director de la programación y la puesta en práctica. Se complementa con la previsión de las consecuencias ambientales mediante una evaluación de conjunto de la política con objeto de minimizar las contradicciones entre las políticas ambientales y no ambientales dando prioridad a las primeras. La naturaleza transversal de la IPA no se ajusta a la forma tradicional de gobernanza jerárquica basada en la autoridad del Estado, la diferenciación sectorial, y los instrumentos típicos de dirección y control. Por ello, no es extraño que la IPA se encuentre a menudo asociada a los llamados "nuevos modos de gobernanza". Esta tesis propone analizar empíricamente el estado de la cuestión en España con respecto a la Integración de la política ambiental , tanto a nivel estatal como autonómico (Cataluña, País Vasco), yendo más allá de los compromisos políticos a favor de un mayor grado de integración de los factores ambientales en las demás políticas. En particular, los ámbitos de investigación seleccionados para esta finalidad son el de las políticas de mitigación de las causas y los efectos del cambio climático, y las políticas de desarrollo sostenible. En términos de ‘variable independiente’ La hipótesis que se quiere comprobar es que la acción llevada a cabo por la Unión Europea ha generado profundos cambios en las estructuras de las instituciones mencionadas y en los procesos de elaboración y implementación de determinadas políticas (energía y transporte) así como en las relaciones entre sectores de la administración pública y entre el sector público y el privado.

Liquid-liquid phase transition for soft-core attractive potential

Using event-driven molecular dynamics simulations, we study a three-dimensional one-component system of spherical particles interacting via a discontinuous potential combining a repulsive square soft core and an attractive square well. In the case of a narrow attractive well, it has been shown that this potential has two metastable gas-liquid critical points. Here we systematically investigate how the changes of the parameters of this potential affect the phase diagram of the system. We find a broad range of potential parameters for which the system has both a gas-liquid critical point C1 and a liquid-liquid critical point C2. For the liquid-gas critical point we find that the derivatives of the critical temperature and pressure, with respect to the parameters of the potential, have the same signs: they are positive for increasing width of the attractive well and negative for increasing width and repulsive energy of the soft core. This result resembles the behavior of the liquid-gas critical point for standard liquids. In contrast, for the liquid-liquid critical point the critical pressure decreases as the critical temperature increases. As a consequence, the liquid-liquid critical point exists at positive pressures only in a finite range of parameters. We present a modified van der Waals equation which qualitatively reproduces the behavior of both critical points within some range of parameters, and gives us insight on the mechanisms ruling the dependence of the two critical points on the potential¿s parameters. The soft-core potential studied here resembles model potentials used for colloids, proteins, and potentials that have been related to liquid metals, raising an interesting possibility that a liquid-liquid phase transition may be present in some systems where it has not yet been observed.

Poço quadrado quântico finito e método de fatorização

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Solução quântica para o poço duplo quadrado unidimensional assimétrico

Poços de potenciais quadrados têm sido bastante explorados, tanto do ponto de vista de aplicação como introdução didática à mecânica quântica. Existem bem poucos potenciais desse tipo que são tratados analiticamente na literatura, embora várias geometrias envolvendo esses poços de potenciais possam ser construídas. Nesse trabalho estudamos o poço duplo quadrado unidimensional assimétrico que possui potencial para uma variedade de aplicações, por exemplo, o aprisionamento atômico devido à diferença de profundidades entre poços vizinhos. As funções de onda e autovalores de energia são determinados explicitamente para um caso ressonante e outro não ressonante.

Poços quânticos e transferência de elétrons

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Transmission coefficient and two-fold degenerate discrete spectrum of spin-1 bosons in a double-step potential

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Computer-Simulationen zur Strukturbildung von einzelnen Polymerketten

In dieser Arbeit wurden die Phasenübergänge einer einzelnen Polymerkette mit Hilfe der Monte Carlo Methode untersucht. Das Bondfluktuationsmodell wurde zur Simulation benutzt, wobei ein attraktives Kastenpotential zwischen allen Monomeren der Polymerkette gewirkt hat. Drei Arten von Bewegungen sind eingeführt worden, um die Polymerkette richtig zu relaxieren. Diese sind die Hüpfbewegung, die Reptationsbewegung und die Pivotbewegung. Um die Volumenausschlußwechselwirkung zu prüfen und um die Anzahl der Nachbarn jedes Monomers zu bestimmen ist ein hierarchischer Suchalgorithmus eingeführt worden. Die Zustandsdichte des Modells ist mittels des Wang-Landau Algorithmus bestimmt worden. Damit sind thermodynamische Größen berechnet worden, um die Phasenübergänge der einzelnen Polymerkette zu studieren. Wir haben zuerst eine freie Polymerkette untersucht. Der Knäuel-Kügelchen Übergang zeigt sich als ein kontinuierlicher Übergang, bei dem der Knäuel zum Kügelchen zusammenfällt. Der Kügelchen-Kügelchen Übergang bei niedrigeren Temperaturen ist ein Phasenübergang der ersten Ordnung, mit einer Koexistenz des flüssigen und festen Kügelchens, das eine kristalline Struktur hat. Im thermodynamischen Limes sind die Übergangstemperaturen identisch. Das entspricht einem Verschwinden der flüssigen Phase. In zwei Dimensionen zeigt das Modell einen kontinuierlichen Knäuel-Kügelchen Übergang mit einer lokal geordneten Struktur. Wir haben ferner einen Polymermushroom, das ist eine verankerte Polymerkette, zwischen zwei repulsiven Wänden im Abstand D untersucht. Das Phasenverhalten der Polymerkette zeigt einen dimensionalen crossover. Sowohl die Verankerung als auch die Beschränkung fördern den Knäuel-Kügelchen Übergang, wobei es eine Symmetriebrechung gibt, da die Ausdehnung der Polymerkette parallel zu den Wänden schneller schrumpft als die senkrecht zu den Wänden. Die Beschränkung hindert den Kügelchen-Kügelchen Übergang, wobei die Verankerung keinen Einfluss zu haben scheint. Die Übergangstemperaturen im thermodynamischen Limes sind wiederum identisch im Rahmen des Fehlers. Die spezifische Wärme des gleichen Modells aber mit einem abstoßendem Kastenpotential zeigt eine Schottky Anomalie, typisch für ein Zwei-Niveau System.

Protein interactions studied by SAXS:effect of ionic strength and protein concentration for BSA in aqueous solutions

We have studied a series of samples of bovine serum albumin (BSA) solutions with protein concentration, c, ranging from 2 to 500 mg/mL and ionic strength, I, from 0 to 2 M by small-angle X-ray scattering (SAXS). The scattering intensity distribution was compared to simulations using an oblate ellipsoid form factor with radii of 17 x 42 x 42 A, combined with either a screened Coulomb, repulsive structure factor, S-SC(q), or an attractive square-well structure factor, S-SW(q). At pH = 7, BSA is negatively charged. At low ionic strength, I <0.3 M, the total interaction exhibits a decrease of the repulsive interaction when compared to the salt-free solution, as the net surface charge is screened, and the data can be fitted by assuming an ellipsoid form factor and screened Coulomb interaction. At moderate ionic strength (0.3-0.5 M), the interaction is rather weak, and a hard-sphere structure factor has been used to simulate the data with a higher volume fraction. Upon further increase of the ionic strength (I >= 1.0 M), the overall interaction potential was dominated by an additional attractive potential, and the data could be successfully fitted by an ellipsoid form factor and a square-well potential model. The fit parameters, well depth and well width, indicate that the attractive potential caused by a high salt concentration is weak and long-ranged. Although the long-range, attractive potential dominated the protein interaction, no gelation or precipitation was observed in any of the samples. This is explained by the increase of a short-range, repulsive interaction between protein molecules by forming a hydration layer with increasing salt concentration. The competition between long-range, attractive and short-range, repulsive interactions accounted for the stability of concentrated BSA solution at high ionic strength.

Stable algorithm for event detection in event-driven particle dynamics : logical states

Acknowledgments The authors gratefully acknowledge the support of the German Research Foundation (DFG) through the Cluster of Excellence ‘Engineering of Advanced Materials’ at the University of Erlangen-Nuremberg and through Grant Po 472/25.

Crystallization on the Mesoscale : Self-Assembly of Iron Oxide Nanocubes into Mesocrystals

Self-assembly of nanoparticles is a promising route to form complex, nanostructured materials with functional properties. Nanoparticle assemblies characterized by a crystallographic alignment of the nanoparticles on the atomic scale, i.e. mesocrystals, are commonly found in nature with outstanding functional and mechanical properties. This thesis aims to investigate and understand the formation mechanisms of mesocrystals formed by self-assembling iron oxide nanocubes. We have used the thermal decomposition method to synthesize monodisperse, oleate-capped iron oxide nanocubes with average edge lengths between 7 nm and 12 nm and studied the evaporation-induced self-assembly in dilute toluene-based nanocube dispersions. The influence of packing constraints on the alignment of the nanocubes in nanofluidic containers has been investigated with small and wide angle X-ray scattering (SAXS and WAXS, respectively). We found that the nanocubes preferentially orient one of their {100} faces with the confining channel wall and display mesocrystalline alignment irrespective of the channel widths.  We manipulated the solvent evaporation rate of drop-cast dispersions on fluorosilane-functionalized silica substrates in a custom-designed cell. The growth stages of the assembly process were investigated using light microscopy and quartz crystal microbalance with dissipation monitoring (QCM-D). We found that particle transport phenomena, e.g. the coffee ring effect and Marangoni flow, result in complex-shaped arrays near the three-phase contact line of a drying colloidal drop when the nitrogen flow rate is high. Diffusion-driven nanoparticle assembly into large mesocrystals with a well-defined morphology dominates at much lower nitrogen flow rates. Analysis of the time-resolved video microscopy data was used to quantify the mesocrystal growth and establish a particle diffusion-based, three-dimensional growth model. The dissipation obtained from the QCM-D signal reached its maximum value when the microscopy-observed lateral growth of the mesocrystals ceased, which we address to the fluid-like behavior of the mesocrystals and their weak binding to the substrate. Analysis of electron microscopy images and diffraction patterns showed that the formed arrays display significant nanoparticle ordering, regardless of the distinctive formation process.  We followed the two-stage formation mechanism of mesocrystals in levitating colloidal drops with real-time SAXS. Modelling of the SAXS data with the square-well potential together with calculations of van der Waals interactions suggests that the nanocubes initially form disordered clusters, which quickly transform into an ordered phase.

Magnetic-field-induced transition in a wide parabolic well superimposed with a superlattice

We study a Al(x)Ga(x-1)As parabolic quantum well (PQW) with GaAs/Al(x)Ga(x-1)As square superlattice. The magnetotransport in PQW with intentionally disordered short-period superlattice reveals a surprising transition from electrons distribution over whole parabolic well to independent-layer states with unequal density. The transition occurs in the perpendicular magnetic field at Landau filling factor v approximate to 3 and is signaled by the appearance of the strong and developing fractional quantum Hall (FQH) states and by the enhanced slope of the Hall resistance. We attribute the transition to the possible electron localization in the x-y plane inside the lateral wells, and formation of the FQH states in the central well of the superlattice, driven by electron-electron interaction.

Statistics of opinion domains of the majority-vote model on a square lattice

The existence of juxtaposed regions of distinct cultures in spite of the fact that people's beliefs have a tendency to become more similar to each other's as the individuals interact repeatedly is a puzzling phenomenon in the social sciences. Here we study an extreme version of the frequency-dependent bias model of social influence in which an individual adopts the opinion shared by the majority of the members of its extended neighborhood, which includes the individual itself. This is a variant of the majority-vote model in which the individual retains its opinion in case there is a tie among the neighbors' opinions. We assume that the individuals are fixed in the sites of a square lattice of linear size L and that they interact with their nearest neighbors only. Within a mean-field framework, we derive the equations of motion for the density of individuals adopting a particular opinion in the single-site and pair approximations. Although the single-site approximation predicts a single opinion domain that takes over the entire lattice, the pair approximation yields a qualitatively correct picture with the coexistence of different opinion domains and a strong dependence on the initial conditions. Extensive Monte Carlo simulations indicate the existence of a rich distribution of opinion domains or clusters, the number of which grows with L(2) whereas the size of the largest cluster grows with ln L(2). The analysis of the sizes of the opinion domains shows that they obey a power-law distribution for not too large sizes but that they are exponentially distributed in the limit of very large clusters. In addition, similarly to other well-known social influence model-Axelrod's model-we found that these opinion domains are unstable to the effect of a thermal-like noise.