Computer simulations of two-dimensional colloidal crystals under confinement and shear

In this thesis we are presenting a broadly based computer simulation study of two-dimensional colloidal crystals under different external conditions. In order to fully understand the phenomena which occur when the system is being compressed or when the walls are being sheared, it proved necessary to study also the basic motion of the particles and the diffusion processes which occur in the case without these external forces. In the first part of this thesis we investigate the structural transition in the number of rows which occurs when the crystal is being compressed by placing the structured walls closer together. Previous attempts to locate this transition were impeded by huge hysteresis effects. We were able to determine the transition point with higher precision by applying both the Schmid-Schilling thermodynamic integration method and the phase switch Monte Carlo method in order to determine the free energies. These simulations showed not only that the phase switch method can successfully be applied to systems with a few thousand particles and a soft crystalline structure with a superimposed pattern of defects, but also that this method is way more efficient than a thermodynamic integration when free energy differences are to be calculated. Additionally, the phase switch method enabled us to distinguish between several energetically very similar structures and to determine which one of them was actually stable. Another aspect considered in the first result chapter of this thesis is the ensemble inequivalence which can be observed when the structural transition is studied in the NpT and in the NVT ensemble. The second part of this work deals with the basic motion occurring in colloidal crystals confined by structured walls. Several cases are compared where the walls are placed in different positions, thereby introducing an incommensurability into the crystalline structure. Also the movement of the solitons, which are created in the course of the structural transition, is investigated. Furthermore, we will present results showing that not only the well-known mechanism of vacancies and interstitial particles leads to diffusion in our model system, but that also cooperative ring rotation phenomena occur. In this part and the following we applied Langevin dynamics simulations. In the last chapter of this work we will present results on the effect of shear on the colloidal crystal. The shear was implemented by moving the walls with constant velocity. We have observed shear banding and, depending on the shear velocity, that the inner part of the crystal breaks into several domains with different orientations. At very high shear velocities holes are created in the structure, which originate close to the walls, but also diffuse into the inner part of the crystal.

Accelerating Diffraction-free Beams in Photonic Lattices

We study nondiffracting accelerating paraxial optical beams in periodic potentials, in both the linear and the nonlinear domains. In particular, we show that only a unique class of z-dependent lattices can support a true accelerating diffractionless beam. Accelerating lattice solitons, autofocusing beams and accelerating bullets in optical lattices are systematically examined.

Anticorrelation between Ion Acceleration and Nonlinear Coherent Structures from Laser-Underdense Plasma Interaction

In laser-plasma experiments, we observed that ion acceleration from the Coulomb explosion of the plasma channel bored by the laser, is prevented when multiple plasma instabilities such as filamentation and hosing, and nonlinear coherent structures (vortices/post-solitons) appear in the wake of an ultrashort laser pulse. The tailoring of the longitudinal plasma density ramp allows us to control the onset of these insabilities. We deduced that the laser pulse is depleted into these structures in our conditions, when a plasma at about 10% of the critical density exhibits a gradient on the order of 250 {\mu}m (gaussian fit), thus hindering the acceleration. A promising experimental setup with a long pulse is demonstrated enabling the excitation of an isolated coherent structure for polarimetric measurements and, in further perspectives, parametric studies of ion plasma acceleration efficiency.

Application of photoreflectance to advanced multilayer structures for photovoltaics

Photoreflectance (PR) is a convenient characterization tool able to reveal optoelectronic properties of semiconductor materials and structures. It is a simple non-destructive and contactless technique which can be used in air at room temperature. We will present experimental results of the characterization carried out by means of PR on different types of advanced photovoltaic (PV) structures, including quantum-dot-based prototypes of intermediate band solar cells, quantum-well structures, highly mismatched alloys, and III?V-based multi-junction devices, thereby demonstrating the suitability of PR as a powerful diagnostic tool. Examples will be given to illustrate the value of this spectroscopic technique for PV including (i) the analysis of the PR spectra in search of critical points associated to absorption onsets; (ii) distinguishing signatures related to quantum confinement from those originating from delocalized band states; (iii) determining the intensity of the electric field related to built-in potentials at interfaces according to the Franz?Keldysh (FK) theory; and (v) determining the nature of different oscillatory PR signals among those ascribed to FK-oscillations, interferometric and photorefractive effects. The aim is to attract the interest of researchers in the field of PV to modulation spectroscopies, as they can be helpful in the analysis of their devices.

Single - and double energy swift and slow heavy ion irradiated optical waveguides in Er: Tungstene-Tellurite glass and BGO for telecom applications

The fabrication of broadband amplifiers in wavelength division multiplexing (WDM) around 1.55 m, as they exhibit large stimulated cross sections and broad emission bandwidth. Bi4Ge3O12 (eultine type BGO) - well known scintillator material, also a rare-earth host material, photorefractive waveguides produced in it only using light ions in the past. Recently: MeV N+ ions and swift O5+ and C5+ ions, too*. Bi12GeO20 (sillenite type BGO) - high photoconductivity and photorefractive sensitivity in the visible and NIR good candidate for real-time holography and optical phase conjugation, photorefractive waveguides produced in it only using light ions. No previous attempts of ion beam fabrication of waveguides in it.

Photovoltaic LiNbO3particles: Applications to Biomedicine/Biophotonics

Recently, a novel method to trap and pattern ensembles of nanoparticles has been proposed and tested. It relies on the photovoltaic (PV) properties of certain ferroelectric crystals such as LiNbO3 [1,2]. These crystals, when suitably doped, develop very high electric fields in response to illumination with light of suitable wavelength. The PV effect lies in the asymmetrical excitation of electrons giving rise to PV currents and associated space-charge fields (photorefractive effect). The field generated in the bulk of the sample propagates to the surrounding medium as evanescent fields. When dielectric or metal nanoparticles are deposited on the surface of the sample the evanescent fields give rise to either electrophoretic or dielectrophoretic forces, depending on the charge state of the particles, that induce the trapping and patterning effects [3,4]. The purpose of this work has been to explore the effects of such PV fields in the biology and biomedical areas. A first work was able to show the necrotic effects induced by such fields on He-La tumour cells grown on the surface of an illuminated iron-doped LiNbO3 crystal [5]. In principle, it is conceived that LiNbO3 nanoparticles may be advantageously used for such biomedical purposes considering the possibility of such nanoparticles being incorporated into the cells. Previous experiments using microparticles have been performed [5] with similar results to those achieved with the substrate. Therefore, the purpose of this work has been to fabricate and characterize the LiNbO3 nanoparticles and assess their necrotic effects when they are incorporated on a culture of tumour cells. Two different preparation methods have been used: 1) mechanical grinding from crystals, and 2) bottom-up sol-gel chemical synthesis from metal-ethoxide precursors. This later method leads to a more uniform size distribution of smaller particles (down to around 50 nm). Fig. 1(a) and 1(b) shows SEM images of the nanoparticles obtained with both method. An ad hoc software taking into account the physical properties of the crystal, particullarly donor and aceptor concentrations has been developped in order to estimate the electric field generated in noparticles. In a first stage simulations of the electric current of nanoparticles, in a conductive media, due to the PV effect have been carried out by MonteCarlo simulations using the Kutharev 1-centre transport model equations [6] . Special attention has been paid to the dependence on particle size and [Fe2+]/[Fe3+]. First results on cubic particles shows large dispersion for small sizes due to the random number of donors and its effective concentration (Fig 2). The necrotic (toxicity) effect of nanoparticles incorporated into a tumour cell culture subjected to 30 min. illumination with a blue LED is shown in Fig.3. For each type of nanoparticle the percent of cell survival in dark and illumination conditions has been plot as a function of the particle dilution factor. Fig. 1a corresponds to mechanical grinding particles whereas 1b and 1c refer to chemically synthesized particles with two oxidation states. The light effect is larger with mechanical grinding nanoparticles, but dark toxicity is also higher. For chemically synthesized nanoparticles dark toxicity is low but only in oxidized samples, where the PV effect is known to be larger, the light effect is appreciable. These preliminary results demonstrate that Fe:LiNbO· nanoparticles have a biological damaging effect on cells, although there are many points that should be clarified and much space for PV nanoparticles optimization. In particular, it appears necessary to determine the fraction of nanoparticles that become incorporated into the cells and the possible existence of threshold size effects. This work has been supported by MINECO under grant MAT2011-28379-C03.

Modelling relativistic solitary wave interactions in over-dense plasmas: a perturbed nonlinear Schröndinger equation framework

We investigate the dynamics of localized solutions of the relativistic cold-fluid plasma model in the small but finite amplitude limit, for slightly overcritical plasma density. Adopting a multiple scale analysis, we derive a perturbed nonlinear Schrödinger equation that describes the evolution of the envelope of circularly polarized electromagnetic field. Retaining terms up to fifth order in the small perturbation parameter, we derive a self-consistent framework for the description of the plasma response in the presence of localized electromagnetic field. The formalism is applied to standing electromagnetic soliton interactions and the results are validated by simulations of the full cold-fluid model. To lowest order, a cubic nonlinear Schrödinger equation with a focusing nonlinearity is recovered. Classical quasiparticle theory is used to obtain analytical estimates for the collision time and minimum distance of approach between solitons. For larger soliton amplitudes the inclusion of the fifth-order terms is essential for a qualitatively correct description of soliton interactions. The defocusing quintic nonlinearity leads to inelastic soliton collisions, while bound states of solitons do not persist under perturbations in the initial phase or amplitude

Anomalous Consistency in Mild Cognitive Impairment: A Complex Networks Approach

Increased variability in performance has been associated with the emergence of several neurological and psychiatric pathologies. However, whether and how consistency of neuronal activity may also be indicative of an underlying pathology is still poorly understood. Here we propose a novel method for evaluating consistency from non-invasive brain recordings. We evaluate the consistency of the cortical activity recorded with magnetoencephalography in a group of subjects diagnosed with Mild Cognitive Impairment (MCI), a condition sometimes prodromal of dementia, during the execution of a memory task. We use metrics coming from nonlinear dynamics to evaluate the consistency of cortical regions. A representation known as parenclitic networks is constructed, where atypical features are endowed with a network structure, the topological properties of which can be studied at various scales. Pathological conditions correspond to strongly heterogeneous networks, whereas typical or normative conditions are characterized by sparsely connected networks with homogeneous nodes. The analysis of this kind of networks allows identifying the extent to which consistency is affected in the MCI group and the focal points where MCI is especially severe. To the best of our knowledge, these results represent the first attempt at evaluating the consistency of brain functional activity using complex networks theory.

Ricci flows on surfaces related to the Einstein weyl and Abelian vortex equations

There are described equations for a pair comprising a Riemannian metric and a Killing field on a surface that contain as special cases the Einstein Weyl equations (in the sense of D. Calderbank) and a real version of a special case of the Abelian vortex equations, and it is shown that the property that a metric solve these equations is preserved by the Ricci flow. The equations are solved explicitly, and among the metrics obtained are all steady gradient Ricci solitons (e.g. the cigar soliton) and the sausage metric; there are found other examples of eternal, ancient, and immortal Ricci flows, as well as some Ricci flows with conical singularities.

Solution of the pulse width modulation problem using orthogonal polynomials and Korteweg-de Vries equations

The mathematical underpinning of the pulse width modulation (PWM) technique lies in the attempt to represent “accurately” harmonic waveforms using only square forms of a fixed height. The accuracy can be measured using many norms, but the quality of the approximation of the analog signal (a harmonic form) by a digital one (simple pulses of a fixed high voltage level) requires the elimination of high order harmonics in the error term. The most important practical problem is in “accurate” reproduction of sine-wave using the same number of pulses as the number of high harmonics eliminated. We describe in this paper a complete solution of the PWM problem using Padé approximations, orthogonal polynomials, and solitons. The main result of the paper is the characterization of discrete pulses answering the general PWM problem in terms of the manifold of all rational solutions to Korteweg-de Vries equations.

The degree of nonlinearity and anisotropy of blood vessel elasticity

Blood vessel elasticity is important to physiology and clinical problems involving surgery, angioplasty, tissue remodeling, and tissue engineering. Nonlinearity in blood vessel elasticity in vivo is important to the formation of solitons in arterial pulse waves. It is well known that the stress–strain relationship of the blood vessel is nonlinear in general, but a controversy exists on how nonlinear it is in the physiological range. Another controversy is whether the vessel wall is biaxially isotropic. New data on canine aorta were obtained from a biaxial testing machine over a large range of finite strains referred to the zero-stress state. A new pseudo strain energy function is used to examine these questions critically. The stress–strain relationship derived from this function represents the sum of a linear stress–strain relationship and a definitely nonlinear relationship. This relationship fits the experimental data very well. With this strain energy function, we can define a parameter called the degree of nonlinearity, which represents the fraction of the nonlinear strain energy in the total strain energy per unit volume. We found that for the canine aorta, the degree of nonlinearity varies from 5% to 30%, depending on the magnitude of the strains in the physiological range. In the case of canine pulmonary artery in the arch region, Debes and Fung [Debes, J. C. & Fung, Y. C.(1995) Am. J. Physiol. 269, H433–H442] have shown that the linear regime of the stress–strain relationship extends from the zero-stress state to the homeostatic state and beyond. Both vessels, however, are anisotropic in both the linear and nonlinear regimes.

Wavefront-Guided Laser Treatment Using a High-Resolution Aberrometer to Measure Irregular Corneas: A Pilot Study

PURPOSE: To evaluate in a pilot study the visual, refractive, corneal topographic, and aberrometric changes after wavefront-guided LASIK or photorefractive keratectomy (PRK) using a high-resolution aberrometer to calculate the treatment for aberrated eyes. METHODS: Twenty aberrated eyes of 18 patients undergoing wavefront-guided LASIK or PRK using the VISX STARS4IR excimer laser and the iDesign aberrometer (Abbott Medical Optics, Inc., Santa Ana, CA) were enrolled in this prospective study. Three groups were differentiated: keratoconus post-CXL group including 11 keratoconic eyes (10 patients), post-LASIK group including 5 eyes (5 patients) with previous decentered LASIK treatments, and post-RK group including 4 eyes (3 patients) with previous radial keratotomy. Visual, refractive, contrast sensitivity, corneal topographic, and ocular aberrometric changes were evaluated during a 6-month follow-up. RESULTS: An improvement in uncorrected (UDVA) and corrected visual acuity (CDVA) associated with a reduction in the spherical equivalent was observed in the three groups, but was only statistically significant in the keratoconus post-CXL and post-LASIK groups (P ≤ .04). All eyes gained one or more lines of CDVA after surgery. Improvements in contrast sensitivity were observed in the three groups, but they were only statistically significant in the keratoconus post-CXL and post-LASIK groups (P ≤ .04). Regarding aberrations, a reduction was observed in trefoil aberrations in the keratoconus post-CXL group (P = .05) and significant reductions in higher-order and primary coma aberrations in the post-LASIK group (P = .04). CONCLUSIONS: Wavefront-guided laser enhancements using the evaluated platform seem to be safe and effective to restore the visual function in aberrated eyes.

Entanglement of two-mode Bose-Einstein condensates

We investigate the entanglement characteristics of two general bimodal Bose-Einstein condensates-a pair of tunnel-coupled Bose-Einstein condensates and the atom-molecule Bose-Einstein condensate. We argue that the entanglement is only physically meaningful if the system is viewed as a bipartite system, where the subsystems are the two modes. The indistinguishibility of the particles in the condensate means that the atomic constituents are physically inaccessible and, thus, the degree of entanglement between individual particles, unlike the entanglement between the modes, is not experimentally relevant so long as the particles remain in the condensed state. We calculate the entanglement between the two modes for the exact ground state of the two bimodal condensates and consider the dynamics of the entanglement in the tunnel-coupled case.

Quantum dynamics with stochastic gauge simulations

The general idea of a stochastic gauge representation is introduced and compared with more traditional phase-space expansions, like the Wigner expansion. Stochastic gauges can be used to obtain an infinite class of positive-definite stochastic time-evolution equations, equivalent to master equations, for many systems including quantum time evolution. The method is illustrated with a variety of simple examples ranging from astrophysical molecular hydrogen production, through to the topical problem of Bose-Einstein condensation in an optical trap and the resulting quantum dynamics.