Effects of domain morphology in phase-separation dynamics at low temperature

We present numerical results of the deterministic Ginzburg-Landau equation with a concentration-dependent diffusion coefficient, for different values of the volume fraction phi of the minority component. The morphology of the domains affects the dynamics of phase separation. The effective growth exponents, but not the scaled functions, are found to be temperature dependent.

Phase separation dynamics under stirring

Phase separation dynamics in the presence of externally imposed stirring is studied. The stirring is assumed independent of the concentration and it is generated with a well-defined energy spectrum. The domain growth process is either favored or frozen depending on the intensity and correlation length of this advective flow. This behavior is explained by analytical arguments.

Phase separation dynamics under stirring

Phase separation dynamics in the presence of externally imposed stirring is studied. The stirring is assumed independent of the concentration and it is generated with a well-defined energy spectrum. The domain growth process is either favored or frozen depending on the intensity and correlation length of this advective flow. This behavior is explained by analytical arguments.

Testing for significance of phase synchronisation dynamics in the EEG

A number of tests exist to check for statistical significance of phase synchronisation within the Electroencephalogram (EEG); however, the majority suffer from a lack of generality and applicability. They may also fail to account for temporal dynamics in the phase synchronisation, regarding synchronisation as a constant state instead of a dynamical process. Therefore, a novel test is developed for identifying the statistical significance of phase synchronisation based upon a combination of work characterising temporal dynamics of multivariate time-series and Markov modelling. We show how this method is better able to assess the significance of phase synchronisation than a range of commonly used significance tests. We also show how the method may be applied to identify and classify significantly different phase synchronisation dynamics in both univariate and multivariate datasets.

Quantum discrete phase space dynamics and its continuous limit

The main aspects of a discrete phase space formalism are presented and the discrete dynamical bracket, suitable for the description of time evolution in finite-dimensional spaces, is discussed. A set of operator bases is defined in such a way that the Weyl-Wigner formalism is shown to be obtained as a limiting case. In the same form, the Moyal bracket is shown to be the limiting case of the discrete dynamical bracket. The dynamics in quantum discrete phase spaces is shown not to be attained from discretization of the continuous case.

A neuro-mechanical model for interpersonal coordination

The present study investigates the coordination between two people oscillating handheld pendulums, with a special emphasis on the influence of the mechanical properties of the effector systems involved. The first part of the study is an experiment in which eight pairs of participants are asked to coordinate the oscillation of their pendulum with the other participant's in an in-phase or antiphase fashion. Two types of pendulums, A and B, having different resonance frequencies (Freq A=0.98 Hz and Freq B=0.64 Hz), were used in different experimental combinations. Results confirm that the preferred frequencies produced by participants while manipulating each pendulum individually were close to the resonance frequencies of the pendulums. In their attempt to synchronize with one another, participants met at common frequencies that were influenced by the mechanical properties of the two pendulums involved. In agreement with previous studies, both the variability of the behavior and the shift in the intended relative phase were found to depend on the task-effector asymmetry, i.e., the difference between the mechanical properties of the effector systems involved. In the second part of the study, we propose a model to account for these results. The model consists of two cross-coupled neuro-mechanical units, each composed of a neural oscillator driving a wrist-pendulum system. Taken individually, each unit reproduced the natural tendency of the participants to freely oscillate a pendulum close to its resonance frequency. When cross-coupled through the vision of the pendulum of the other unit, the two units entrain each other and meet at a common frequency influenced by the mechanical properties of the two pendulums involved. The ability of the proposed model to address the other effects observed as a function of the different conditions of the pendulum and intended mode of coordination is discussed.

Studies in three phase gas-liquid-solid fluidised systems

The work is a logical continuation of research started at Aston some years ago when studies were conducted on fermentations in bubble columns. The present work highlights typical design and operating problems that could arise in such systems as waste water, chemical, biochemical and petroleum operations involving three-phase, gas-liquid-solid fluidisation; such systems are in increasing use. It is believed that this is one of few studies concerned with `true' three-phase, gas-liquid-solid fluidised systems, and that this work will contribute significantly to closing some of the gaps in knowledge in this area. The research work was mainly experimentally based and involved studies of the hydrodynamic parameters, phase holdups (gas and solid), particle mixing and segregation, and phase flow dynamics (flow regime and circulation patterns). The studies have focused particularly on the solid behaviour and the influence of properties of solids present on the above parameters in three-phase, gas-liquid-solid fluidised systems containing single particle components and those containing binary and ternary mixtures of particles. All particles were near spherical in shape and two particle sizes and total concentration levels were used. Experiments were carried out in two- and three-dimensional bubble columns. Quantitative results are presented in graphical form and are supported by qualitative results from visual studies which are also shown as schematic diagrams and in photographic form. Gas and solid holdup results are compared for air-water containing single, binary and ternary component particle mixtures. It should be noted that the criteria for selection of the materials used are very important if true three-phase fluidisation is to be achieved: this is very evident when comparing the results with those in the literature. The fluid flow and circulation patterns observed were assessed for validation of the generally accepted patterns, and the author believes that the present work provides more accurate insight into the modelling of liquid circulation in bubble columns. The characteristic bubbly flow at low gas velocity in a two-phase system is suppressed in the three-phase system. The degree of mixing within the system is found to be dependent on flow regime, liquid circulation and the ratio of solid phase physical properties. Evidence of strong `trade-off' of properties is shown; the overall solid holdup is believed to be a major parameter influencing the gas holdup structure.

Optimal packing for cascaded regenerative transmission based on phase sensitive amplifiers

We investigate the transmission performance of advanced modulation formats in nonlinear regenerative channels based on cascaded phase sensitive amplifiers. We identify the impact of amplitude and phase noise dynamics along the transmission line and show that after a cascade of regenerators, densely packed single ring PSK constellations outperform multi-ring constellations. The results of this study will greatly simplify the design of future nonlinear regenerative channels for ultra-high capacity transmission

Optimal packing for cascaded regenerative transmission based on phase sensitive amplifiers

We investigate the transmission performance of advanced modulation formats in nonlinear regenerative channels based on cascaded phase sensitive amplifiers. We identify the impact of amplitude and phase noise dynamics along the transmission line and show that after a cascade of regenerators, densely packed single ring PSK constellations outperform multi-ring constellations. The results of this study will greatly simplify the design of future nonlinear regenerative channels for ultra-high capacity transmission. © 2013 Optical Society of America.

Spatiotemporal Dynamics of CaMKI During Structural Plasticity of Single Dendritic Spines

Multifunctional calcium/calmodulin dependent protein kinases (CaMKs) are key regulators of spine structural plasticity and long-term potentiation (LTP) in neurons. CaMKs have promiscuous and overlapping substrate recognition motifs, and are distinguished in their regulatory role based on differences in the spatiotemporal dynamics of activity. While the function and activity of CaMKII in synaptic plasticity has been extensively studied, that of CaMKI, another major class of CaMK required for LTP, still remain elusive.

Here, we develop a Förster’s Resonance Energy Transfer (FRET) based sensor to measure the spatiotemporal activity dynamics of CaMK1. We monitored CaMKI activity using 2-photon fluorescence lifetime imaging, while inducing LTP in single dendritic spines of rat (Rattus Norvegicus, strain Sprague Dawley) hippocampal CA1 pyramidal neurons using 2-photon glutamate uncaging. Using RNA-interference and pharmacological means, we also characterize the role of CaMKI during spine structural plasticity.

We found that CaMKI was rapidly and transiently activated with a rise time of ~0.3 s and decay time of ~1 s in response to each uncaging pulse. Activity of CaMKI spread out of the spine. Phosphorylation of CaMKI by CaMKK was required for this spreading and for the initial phase of structural LTP. Combined with previous data showing that CaMKII is restricted to the stimulated spine and required for long-term maintenance of structural LTP, these results suggest that CaMK diversity allows the same incoming signal – calcium – to independently regulate distinct phases of LTP by activating different CaMKs with distinct spatiotemporal dynamics.

Quantum slow motion

We investigate the center-of-mass motion of cold atoms in a standing amplitude modulated laser field. We use a simple model to explain the momentum distribution of the atoms after any distinct number of modulation cycles. The atoms starting near a classical phase-space resonance move slower than we would expect classically. We explain this by showing that for a wave packet on the classical resonances we can replace the complicated dynamics in the quantum Liouville equation in phase space by its classical dynamics with a modified potential.

Competition and resource availability in an annual plant community dominated by an invasive species, Carrichtera annua (L. Aschers.), in South Australia

The last decade has seen spirited debates about how resource availability affect the intensity of competition. This paper examines the effect that a dominant introduced species, Carrichtera annua, has upon the winter annual community in the arid chenopod shrublands of South Australia. Manipulative field experiments were conducted to assess plant community response to changing below-ground resource levels and to the manipulation of the density of C. annua. Changes in the density of C. annua had little effect on the abundance of all other species in the guild. Nutrient addition produced an increase in the biomass of the most abundant native species, Crassula colorata. An analysis of the root distribution of the main species suggested that the areas of soil resource capture of C. annua and C. colorata are largely segregated. Our results suggest that intraspecific competition may be stronger than interspecific competition, controlling the species responses to increased resource availability. The results are consistent with a two-phase resource dynamics systems, with pulses of high resource availability triggering growth, followed by pulses of stress. Smaller plants were nutrient limited under natural field conditions, suggesting that stress experienced during long interpulse phases may override competitive effects after short pulse phases. The observed differences in root system structure will determine when plants of a different species are experiencing a pulse or an interpulse phase. We suggest that the limitations to plant recruitment and growth are the product of a complex interplay between the length and intensity of the pulse of resource availability, the duration and severity of the interpulse periods, and biological characters of the species.

From lattice-gas models to nonlinear diffusion models: A derivation of macroscopic equations and fluctuations

We derive nonlinear diffusion equations and equations containing corrections due to fluctuations for a coarse-grained concentration field. To deal with diffusion coefficients with an explicit dependence on the concentration values, we generalize the Van Kampen method of expansion of the master equation to field variables. We apply these results to the derivation of equations of phase-separation dynamics and interfacial growth instabilities.

Computer simulations of colloidal fluids in confinement

Computer-Simulationen von Kolloidalen Fluiden in Beschränkten Geometrien Kolloidale Suspensionen, die einen Phasenübergang aufweisen, zeigen eine Vielfalt an interessanten Effekten, sobald sie auf eine bestimmte Geometrie beschränkt werden, wie zum Beispiel auf zylindrische Poren, sphärische Hohlräume oder auf einen Spalt mit ebenen Wänden. Der Einfluss dieser verschiedenen Geometrietypen sowohl auf das Phasenverhalten als auch auf die Dynamik von Kolloid-Polymer-Mischungen wird mit Hilfe von Computer-Simulationen unter Verwendung des Asakura-Oosawa- Modells, für welches auf Grund der “Depletion”-Kräfte ein Phasenübergang existiert, untersucht. Im Fall von zylindrischen Poren sieht man ein interessantes Phasenverhalten, welches vom eindimensionalen Charakter des Systems hervorgerufen wird. In einer kurzen Pore findet man im Bereich des Phasendiagramms, in dem das System typischerweise entmischt, entweder eine polymerreiche oder eine kolloidreiche Phase vor. Sobald aber die Länge der zylindrischen Pore die typische Korrelationslänge entlang der Zylinderachse überschreitet, bilden sich mehrere quasi-eindimensionale Bereiche der polymerreichen und der kolloidreichen Phase, welche von nun an koexistieren. Diese Untersuchungen helfen das Verhalten von Adsorptionshysteresekurven in entsprechenden Experimenten zu erklären. Wenn das Kolloid-Polymer-Modellsystem auf einen sphärischen Hohlraum eingeschränkt wird, verschiebt sich der Punkt des Phasenübergangs von der polymerreichen zur kolloidreichen Phase. Es wird gezeigt, dass diese Verschiebung direkt von den Benetzungseigenschaften des Systems abhängt, was die Beobachtung von zwei verschiedenen Morphologien bei Phasenkoexistenz ermöglicht – Schalenstrukturen und Strukturen des Janustyps. Im Rahmen der Untersuchung von heterogener Keimbildung von Kristallen innerhalb einer Flüssigkeit wird eine neue Simulationsmethode zur Berechnung von Freien Energien der Grenzfläche zwischen Kristall- bzw. Flüssigkeitsphase undWand präsentiert. Die Resultate für ein System von harten Kugeln und ein System einer Kolloid- Polymer-Mischung werden anschließend zur Bestimmung von Kontaktwinkeln von Kristallkeimen an Wänden verwendet. Die Dynamik der Phasenseparation eines quasi-zweidimensionalen Systems, welche sich nach einem Quench des Systems aus dem homogenen Zustand in den entmischten Zustand ausbildet, wird mit Hilfe von einer mesoskaligen Simulationsmethode (“Multi Particle Collision Dynamics”) untersucht, die sich für eine detaillierte Untersuchung des Einflusses der hydrodynamischen Wechselwirkung eignet. Die Exponenten universeller Potenzgesetze, die das Wachstum der mittleren Domänengröße beschreiben, welche für rein zwei- bzw. dreidimensionale Systeme bekannt sind, können für bestimmte Parameterbereiche nachgewiesen werden. Die unterschiedliche Dynamik senkrecht bzw. parallel zu den Wänden sowie der Einfluss der Randbedingungen für das Lösungsmittel werden untersucht. Es wird gezeigt, dass die daraus resultierende Abschirmung der hydrodynamischen Wechselwirkungsreichweite starke Auswirkungen auf das Wachstum der mittleren Domänengröße hat.

Modelización de reacciones químicas en presencia de un campo electromagnético variable

En esta tesis se aborda el estudio del proceso de isomerización del sistema molecular LiNC/LiCN tanto aislado como en presencia de un pulso láser aplicando la teoría del estado de transición (TST). Esta teoría tiene como pilar fundamental el hecho de que el conocimiento de la dinámica en las proximidades de un punto de silla de la superficie de energía potencial permite determinar los parámetros cinéticos de la reacción objeto de estudio. Históricamente, existen dos formulaciones de la teoría del estado de transición, la versión termodinámica de Eyring (Eyr38) y la visión dinámica de Wigner (Wig38). Ésta última ha sufrido recientemente un amplio desarrollo, paralelo a los avances en sistemas dinámicos que ha dado lugar a una formulación geométrica en el espacio de fases que sirve como base al trabajo desarrollado en esta tesis. Nos hemos centrado en abordar el problema desde una visión fundamentalmente práctica, ya que la teoría del estado de transición presenta una desventaja: su elevado coste computacional y de tiempo de cálculo. Dos han sido los principales objetivos de este trabajo. El primero de ellos ha sido sentar las bases teóricas y computacionales de un algoritmo eficiente que permita obtener las magnitudes fundamentales de la TST. Así, hemos adaptado con éxito un algoritmo computacional desarrollado en el ámbito de la mecánica celeste (Jor99), obteniendo un método rápido y eficiente para la obtención de los objetos geométricos que rigen la dinámica en el espacio de fases y que ha permitido calcular magnitudes cinéticas tales como el flujo reactivo, la densidad de estados de reactivos y productos y en última instancia la constante de velocidad. Dichos cálculos han sido comparados con resultados estadísticos (presentados en (Mül07)) lo cual nos ha permitido demostrar la eficacia del método empleado. El segundo objetivo de esta tesis, ha sido la evaluación de la influencia de los parámetros de un pulso electromagnético sobre la dinámica de reacción. Para ello se ha generalizado la metodología de obtención de la forma normal del hamiltoniano cuando el sistema químico es alterado mediante una perturbación temporal periódica. En este caso el punto fijo inestable en cuya vecindad se calculan los objetos geométricos de interés para la aplicación de la TST, se transforma en una órbita periódica del mismo periodo que la perturbación. Esto ha permitido la simulación de la reactividad en presencia de un pulso láser. Conocer el efecto de esta perturbación posibilita el control de la reactividad química. Además de obtener los objetos geométricos que rigen la dinámica en una cierta vecindad de la órbita periódica y que son la clave de la TST, se ha estudiado el efecto de los parámetros del pulso sobre la reactividad en el espacio de fases global así como sobre el flujo reactivo que atraviesa la superficie divisoria que separa reactivos de productos. Así, se ha puesto de manifiesto, que la amplitud del pulso es el parámetro más influyente sobre la reactividad química, pudiendo producir la aparición de flujos reactivos a energías inferiores a las de aparición del sistema aislado y el aumento del flujo reactivo a valores constantes de energía inicial. ABSTRACT We have studied the isomerization reaction LiNC/LiCN isolated and perturbed by a laser pulse. Transition State theory (TST) is the main tool we have used. The basis of this theory is knowing the dynamics close to a fixed point of the potential energy surface. It is possible to calculate kinetic magnitudes by knowing the dynamics in a neighbourhood of the fixed point. TST was first formulated in the 30's and there were 2 points of view, one thermodynamical by Eyring (Eyr38) and another dynamical one by Wigner (Wig38). The latter one has grown lately due to the growth of the dynamical systems leading to a geometrical view of the TST. This is the basis of the work shown in this thesis. As the TST has one main handicap: the high computational cost, one of the main goals of this work is to find an efficient method. We have adapted a methodology developed in the field of celestial mechanics (Jor99). The result: an efficient, fast and accurate algorithm that allows us to obtain the geometric objects that lead the dynamics close to the fixed point. Flux across the dividing surface, density of states and reaction rate coefficient have been calculated and compared with previous statistical results, (Mül07), leading to the conclusion that the method is accurate and good enough. We have widen the methodology to include a time dependent perturbation. If the perturbation is periodic in time, the fixed point becomes a periodic orbit whose period is the same as the period of the perturbation. This way we have been able to simulate the isomerization reaction when the system has been perturbed by a laser pulse. By knowing the effect of that perturbation we will be able to control the chemical reactivity. We have also studied the effect of the parameters on the global phase space dynamics and on the flux across the dividing surface. It has been prove that amplitude is the most influent parameter on the reaction dynamics. Increasing amplitude leads to greater fluxes and to some flux at energies it would not if the systems would not have been perturbed.