O oscilador harmônico singular revisitado

The one-dimensional Schrödinger equation with the singular harmonic oscillator is investigated. The Hermiticity of the operators related to observable physical quantities is used as a criterion to show that the attractive or repulsive singular oscillator exhibits an infinite number of acceptable solutions provided the parameter responsible for the singularity is greater than a certain critical value, in disagreement with the literature. The problem for the whole line exhibits a two-fold degeneracy in the case of the singular oscillator, and the intrusion of additional solutions in the case of a nonsingular oscillator. Additionally, it is shown that the solution of the singular oscillator can not be obtained from the nonsingular oscillator via perturbation theory.

Uma abordagem teórica e experimental do oscilador harmônico em duas dimensões utilizando as curvas de Lissajous

The study of oscillatory phenomena is an important topic in several areas of knowledge. The understanding and the solution of many problems that scientists and engineers confront nowadays can be formulated, at least as an analogy, in terms of an oscillatory movement. The description of the motion of this nature has remarkable contributions to the mathematical and conceptual formation of the students and for solving daily problems in several areas. In this paper we propose a theoretical and experimental approach involving the phenomenon of harmonic oscillations in two dimensions. Lissajous curves were used as experimental demonstration of the resulting trajectories. These curves were obtained from relatively simple experimental apparatus, which is affordable in most teaching laboratories of physics.

Princípio de ação quântica de Schwinger

The Schwinger quantum action principle is a dynamic characterization of the transformation functions and is based on the algebraic structure derived from the kinematic analysis of the measurement processes at the quantum level. As such, this variational principle, allows to derive the canonical commutation relations in a consistent way. Moreover, the dynamic pictures of Schrödinger, Heisenberg and a quantum Hamilton-Jacobi equation can be derived from it. We will implement this formalism by solving simple systems such as the free particle, the quantum harmonic oscillator and the quantum forced harmonic oscillator.

One-sided and two-sided Green's functions

We discuss the one-sided Green's function, associated with an initial value problem and the two-sided Green's function related to a boundary value problem. We present a specific calculation associated with a differential equation with constant coefficients. For both problems, we also present the Laplace integral transform as another methodology to calculate these Green's functions and conclude which is the most convenient one. An incursion in the so-called fractional Green's function is also presented. As an example, we discuss the isotropic harmonic oscillator.

Coordenadas vestidas: formulação segundo a interpretação de Dirac-Feynman para a mecânica quântica e aplicações em CQED

Pós-graduação em Física - IFT

Oscilador harmônico unidimensional via transformada unilateral de Fourier e mapeamento do potencial de morse unidimensional nos potenciais pseudo-harmônico e de kratzer tridimensionais

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

Estudo de sistemas não-lineares em mecânica quântica

The main goal of this work is to investigate the effects of a nonlinear cubic term inserted in the Schrödinger equation for one-dimensional potentials studied in Quantum Mechanics textbooks. Being the main tool the numerical analysis in a large number of works, the analysis of this effect by this term in the potential itself, in order to work with an analytical solution, can be considered something new. For the harmonic oscillator potential, the analysis was made from a numerical method, comparing the result with the known results in the literature. In the case of the infinite well potential and the step potential, hoping to work with an analytical solution, by construction we started with the known wavefunction for the linear case noting the effects in the other physical quantities. The coupling of the physical quantities involved in this work has yielded, besides many complications in the calculations, a series of conditions on the existence and validity of the solutions in regard to the system possible configurations

Oscilador harmônico unidimensional via transformada unilateral de Fourier e mapeamento do potencial de morse unidimensional nos potenciais pseudo-harmônico e de kratzer tridimensionais

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

Estudo de sistemas não-lineares em mecânica quântica

The main goal of this work is to investigate the effects of a nonlinear cubic term inserted in the Schrödinger equation for one-dimensional potentials studied in Quantum Mechanics textbooks. Being the main tool the numerical analysis in a large number of works, the analysis of this effect by this term in the potential itself, in order to work with an analytical solution, can be considered something new. For the harmonic oscillator potential, the analysis was made from a numerical method, comparing the result with the known results in the literature. In the case of the infinite well potential and the step potential, hoping to work with an analytical solution, by construction we started with the known wavefunction for the linear case noting the effects in the other physical quantities. The coupling of the physical quantities involved in this work has yielded, besides many complications in the calculations, a series of conditions on the existence and validity of the solutions in regard to the system possible configurations

Simulations of charge transport in organic compounds

To aid the design of organic semiconductors, we study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The results are compared for the different compounds and methods and, where available, with experimental data. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. When taking only intra-columnar transport into account, the mobility is orders of magnitude lower than in the three-dimensional case. BTBT is a promising material for solution-processed organic field-effect transistors. We are able to show that, on the time-scales of charge transport, static disorder due to slow side chain motions is the main factor determining the mobility. The resulting broad transfer integral distributions modify the connectivity of the system but sufficiently many fast percolation paths remain for the charges. Rubrene, indolocarbazole and BBBT are examples of crystals without significant static disorder. The high mobility of rubrene is explained by two main features: first, the shifted cofacial alignment of its molecules, and second, the high center of mass vibrational frequency. In comparsion to SCD, only KMC based on Marcus rates is capable of describing neighbors with low coupling and of taking static disorder into account three-dimensionally. Thus it is the method of choice for crystalline systems dominated by static disorder. However, it is inappropriate for the case of strong coupling and underestimates the mobility of well-ordered crystals. SCD, despite its one-dimensionality, is valuable for crystals with strong coupling and little disorder. It also allows correct treatment of dynamical effects, such as intermolecular vibrations of the molecules. Rate equations are incapable of this, because simulations are performed on static snapshots. We have thus shown strengths and weaknesses of two state of the art models used to study charge transport in organic compounds, partially developed a program to compute and visualize transfer integral distributions and other charge transport properties, and found structure-mobility relations for several promising organic semiconductors.

Calibración de sensores de fuerza bajo estímulos sinusoidales: contribuciones a su caracterización

El presente trabajo tiene como objetivo el desarrollo de un patrón primario para la calibración de sensores de fuerza bajo excitaciones sinusoidales. Con consecuencia de dicho desarrollo se establecerá un método de calibración de sensores de fuerza en condiciones dinámicas que permitirá la caracterización de estos sensores en dichas condiciones y determinar la incertidumbre asociada. Este patrón se basa en la definición directa de fuerza como masa por aceleración. Para ello se carga el sensor con distintas cargas calibradas y se somete a distintas aceleraciones mediante un excitador de vibraciones. Dichas aceleraciones se generan para frecuencias desde 5 Hz a 2400 Hz. La aceleración se mide mediante un vibrómetro láser con trazabilidad a la unidad de longitud (longitud de onda del láser). Al ser una medición completamente dinámica se necesita un sistema de adquisición de datos multicanal para la toma de datos en tiempo real. Este sistema adquiere las señales eléctricas provenientes del vibrómetro láser, del sensor a caracterizar y del acelerómetro para mediciones auxiliares. Se ha dispuesto de cuatro sensores de fuerza para realizar ensayos, un sensor piezoeléctrico y tres sensores resistivos. En este trabajo se han estudiado los factores de influencia y se ha implementado un método de calibración para minimizar los mismos, así como también se han establecido las correcciones a realizar. Para la caracterización dinámica del sensor se ha partido de un modelo de oscilador armónico amortiguado forzado, se ha establecido la metodología para la determinación de sus parámetros de caracterización y se ha estudiado su validez. También se ha realizado una comparación entre los resultados obtenidos para condiciones estáticas y dinámicas. ABSTRACT The aim in the current work is the development of a primary standard for force sensors calibration under sinusoidal excitations. As consequence of this development a method for force sensors calibration under dynamic conditions will be established that will allow these sensors characterization for such conditions and the determination of their associated uncertainty. This standard is based on the direct definition of force as mass multiplied by acceleration. To do so, the sensor is loaded with different calibrated loads and is maintained under different accelerations by means of a vibration shaker. These accelerations are generated with frequencies from 5 Hz up to 2400 Hz. The acceleration is measured by means of a laser vibrometer with traceability to the unit of length (laser wavelength). As the measurement is totally dynamic a multiple channel data acquisition system is required for data acquisition in real time. This system acquires the electrical signals outputs coming from the laser vibrometer, the sensor to be characterised and two accelerometers for additional measurements. Four force sensors, one piezoelectric sensor and three resistive sensors, have been available to perform the tests. During this work the influence factors have been studied and a calibration method to minimise these factors have been implemented as well as the corrections to be performed have been established. As the starting point for the sensor dynamic characterization, a model for a forced damped harmonic oscillator has been used, a method for the characterizing parameters determination has been established and its validity has been studied. A comparison between results for static and dynamic conditions has been performed as well.

Solvent dependence of dynamic transitions in protein solutions

A transition as a function of increasing temperature from harmonic to anharmonic dynamics has been observed in globular proteins by using spectroscopic, scattering, and computer simulation techniques. We present here results of a dynamic neutron scattering analysis of the solvent dependence of the picosecond-time scale dynamic transition behavior of solutions of a simple single-subunit enzyme, xylanase. The protein is examined in powder form, in D2O, and in four two-component perdeuterated single-phase cryosolvents in which it is active and stable. The scattering profiles of the mixed solvent systems in the absence of protein are also determined. The general features of the dynamic transition behavior of the protein solutions follow those of the solvents. The dynamic transition in all of the mixed cryosolvent–protein systems is much more gradual than in pure D2O, consistent with a distribution of energy barriers. The differences between the dynamic behaviors of the various cryosolvent protein solutions themselves are remarkably small. The results are consistent with a picture in which the picosecond-time scale atomic dynamics respond strongly to melting of pure water solvent but are relatively invariant in cryosolvents of differing compositions and melting points.

Quantum entanglement and fixed-point bifurcations

How does the classical phase-space structure for a composite system relate to the entanglement characteristics of the corresponding quantum system? We demonstrate how the entanglement in nonlinear bipartite systems can be associated with a fixed-point bifurcation in the classical dynamics. Using the example of coupled giant spins we show that when a fixed point undergoes a supercritical pitchfork bifurcation, the corresponding quantum state-the ground state-achieves its maximum amount of entanglement near the critical point. We conjecture that this will be a generic feature of systems whose classical limit exhibits such a bifurcation.

Effects of cation substitutions on the physical properties of M2M1T2O6 pyroxenes

In this PhD study, the effects of the cation substitutions on the physical properties of pyroxenes have been discussed. The results of this work extend the knowledge on pyroxenes with different chemical compositions. These properties might be used in the development of ceramic pigments, advanced materials and for the mineralogical phase identification. First of all, the crystallographic differences between Ge and Si pyroxenes have been examined. The structure of C2/c Ca rich Ge clinopyroxenes is very close to the low pressure C2/c structural configuration found in Ca-rich Si-pyroxenes. The shear of the unit cell is very similar, and the difference between a Ge end member and the corresponding Si-rich one is less than 1°. Instead, a remarkable difference exists between Ca-poor Si and Ge clinopyroxenes. First, Ca-poor Ge pyroxenes do not display a P21/c symmetry, but retain the C2/c symmetry; second, the observed C2/c structure shows, at room pressure, the configuration with highly kinked tetrahedral chains characteristic of the high pressure C2/c symmetry of Si Ca-poor pyroxenes. In orthopyroxenes, with Pbca symmetry, Ge-pyroxenes have volume larger than Si-pyroxenes. Samples along the system CaCoGe2O6 - CoCoGe2O6 have been synthesized at three different temperatures: 1050 °C, 1200 °C and 1250 °C. The aim of these solid state syntheses was to obtain a solid solution at ambient pressure, since the analogues Si-system needs high pressure. Unfortunately, very limited solution occurs because the structure forms of the two end member (high temperature for CaCoGe2O6 and high pressure CoCoGe2O6) are incompatible. The phase diagram of this system has been sketched and compared to that of Si. The cobalt end member (CoCoGe2O6) is stable at ambient pressure in two symmetries: at 1050 °C C2/c and 1200 °C Pbca. The impurity phase formed during these experiments is cobalt spinel. Raman spectroscopy has been used to investigate the vibrational properties of Ca-pyroxenes CaCoGe2O6, CaMgGe2O6, CaMgSi2O6 and CaCoSi2O6. A comparison between silicate and germanate pyroxenes shows significant changes in peak positions of the corresponding modes caused mainly by the difference of the Ge-Si atomic weight along with the distortion and compression of the coordination polyhedra. Red shift in Raman spectra of germanates has been calculated by a rough scale factor calculated by a simple harmonic oscillator model, considering the different bond lengths for 4-coordinated Si ~ 1.60- 1.65 Å vs Ge–O distance ~1.70 - 1.80 Å. The Raman spectra of CaMgGe2O6 and CaCoGe2O6 have been classified, in analogy with silicate (Wang et al., 2001) counterparts, in different ranges: - R1 (880-640 cm-1): strong T-O stretching modes of Ge and non-bridging O1 and O2 atoms within the GeO4 tetrahedron; - R2 (640-480 cm-1): stretching/bending modes of Ge-Obr-Ge bonds (chain stretching and chain bending); - R4 (480-360 cm-1): O-Ge-O vibrations; - R3 (360-240 cm-1): motions of the cations in M2 and M1 sites correlated with tetrahedral chain motion and tilting tetrahedra; - R5 (below 240 cm-1): lattice modes. The largest shift with respect to CaMgSi2O6 - CaCoSi2O6 is shown by the T-O stretching and chain modes. High-pressure Raman spectroscopy (up to about 8 GPa) on the same samples of Ca-pyroxenes using an ETH-type diamond anvil cell shows no phase transition within the P-ranges investigated, as all the peak positions vary linearly as a function of pressure. Our data confirm previous experimental findings on Si-diopside (Chopelas and Serghiou, 2000). In the investigated samples, all the Raman peaks shift upon compression, but the major changes in wavenumber with pressure are attributed to the chain bending (Ge-Obr-Ge bonds) and tetrahedra stretching modes (Ge-Onbr). Upon compression, the kinking angle, the bond lengths and T-T distances between tetrahedra decrease and consequently the wavenumber of the bending chain mode and tetrahedra stretching mode increases. Ge-pyroxenes show the higher P-induced peak-position shifts, being more compressible than corresponding silicates. The vibrational properties of CaM2+Ge2O6 (M2+ =Mg, Mn, Fe, Co, Ni, Zn) are reported for the first time. The wavenumber of Ge-Obr-Ge bending modes decreases linearly with increasing ionic radius of the M1 cation. No simple correlation has been found with M1 atomic mass or size or crystallographic parameters for the peak at ~850 cm-1 and in the low wavenumber regions. The magnetic properties of the system CaCoSi2O6 - CoCoSi2O6 have been investigated by magnetometry. The join is always characterized by 1 a.p.f.u. of cobalt in M1 site and this causes a pure collinear antiferromagnetic behaviour of the intra-chain superexchange interaction involving Co ions detected in all the measurements, while the magnetic order developed by the cobalt ions in M2 site (intra-chain) is affected by weak ferromagnetism, due to the non-collinearity of their antiferromagnetic interaction. In magnetically ordered systems, this non-collinearity effect promotes a spin canting of anti-parallel aligned magnetic moments and thus is a source of weak ferromagnetic behaviour in an antiferromagnetic. The weak ferromagnetism can be observed only for the samples with Co content higher than 0.5 a.p.f.u. in M2, when the concentration is sufficiently high to create a long range order along the M2 chain which is magnetically independent of M1 chain. The ferromagnetism was detected both in the M(T) at 10 Oe and M(H).

A Fractional LC − RC Circuit

Mathematics Subject Classification: 26A33, 30B10, 33B15, 44A10, 47N70, 94C05