Converged quantum calculations of HO2 bound states and resonances for J=6 and 10

Bound and resonance states of HO2 are calculated quantum mechanically using both the Lanczos homogeneous filter diagonalization method and the real Chebyshev filter diagonalization method for nonzero total angular momentum J=6 and 10, using a parallel computing strategy. For bound states, agreement between the two methods is quite satisfactory; for resonances, while the energies are in good agreement, the widths are in general agreement. The quantum nonzero-J specific unimolecular dissociation rates for HO2 are also calculated. (C) 2004 American Institute of Physics.

Iterative quantum computations of HO2 bound states and resonances for J=4 and 5

Bound and resonance states of HO2 have been calculated by both the complex Lanczos homogeneous filter diagonalisation (LHFD) method(1,2) and the real Chebyshev filter diagonalisation method(3,4) for non-zero total angular momentum J = 4 and 5. For bound states, the agreement between the two methods is quite satisfactory; for resonances while the energies are in good agreement, the widths are only in general agreement. The relative performances of the two iterative FD methods have also been discussed in terms of efficiency as well as convergence behaviour for such a computationally challenging problem. A helicity quantum number Ohm assignment (within the helicity conserving approximation) is performed and the results indicate that Coriolis coupling becomes more important as J increases and the helicity conserving approximation is not a good one for the HO2 resonance states.

Charge transport in a quantum electromechanical system

We describe a quantum electromechanical system comprising a single quantum dot harmonically bound between two electrodes and facilitating a tunneling current between them. An example of such a system is a fullerene molecule between two metal electrodes [Park et al., Nature 407, 57 (2000)]. The description is based on a quantum master equation for the density operator of the electronic and vibrational degrees of freedom and thus incorporates the dynamics of both diagonal (population) and off diagonal (coherence) terms. We derive coupled equations of motion for the electron occupation number of the dot and the vibrational degrees of freedom, including damping of the vibration and thermo-mechanical noise. This dynamical description is related to observable features of the system including the stationary current as a function of bias voltage

Localized heating or cooling in mesoscopic devices by electron transport

We describe a method to produce local heating or cooling (depending on how the system is tuned) in a mesoscopic device by transport of electrons. The mechanism can operate on molecules or quantum dots, or any system where the local modes are coupled to vibrations. We believe this will be of future interest in micro electro mechanical systems (MEMS). The amount of heating/cooling obtained depends on the details of the device. We also perform a numerical calculation to display the effect. (C) 2004 Elsevier B.V. All rights reserved.

Ion trap transducers for quantum electromechanical oscillators

An enduring challenge for contemporary physics is to experimentally observe and control quantum behavior in macroscopic systems. We show that a single trapped atomic ion could be used to probe the quantum nature of a mesoscopic mechanical oscillator precooled to 4 K, and furthermore, to cool the oscillator with high efficiency to its quantum ground state. The proposed experiment could be performed using currently available technology.

Calculation of the microcanonical temperature for the classical Bose field

The ergodic hypothesis asserts that a classical mechanical system will in time visit every available configuration in phase space. Thus, for an ergodic system, an ensemble average of a thermodynamic quantity can equally well be calculated by a time average over a sufficiently long period of dynamical evolution. In this paper, we describe in detail how to calculate the temperature and chemical potential from the dynamics of a microcanonical classical field, using the particular example of the classical modes of a Bose-condensed gas. The accurate determination of these thermodynamics quantities is essential in measuring the shift of the critical temperature of a Bose gas due to nonperturbative many-body effects.

First-principles quantum dynamics in interacting Bose gases: I. The positive P representation

The performance of the positive P phase-space representation for exact many- body quantum dynamics is investigated. Gases of interacting bosons are considered, where the full quantum equations to simulate are of a Gross-Pitaevskii form with added Gaussian noise. This method gives tractable simulations of many-body systems because the number of variables scales linearly with the spatial lattice size. An expression for the useful simulation time is obtained, and checked in numerical simulations. The dynamics of first-, second- and third-order spatial correlations are calculated for a uniform interacting 1D Bose gas subjected to a change in scattering length. Propagation of correlations is seen. A comparison is made with other recent methods. The positive P method is particularly well suited to open systems as no conservation laws are hard-wired into the calculation. It also differs from most other recent approaches in that there is no truncation of any kind.

First-principles quantum simulations of dissociation of molecular condensates: Atom correlations in momentum space

We investigate the quantum many-body dynamics of dissociation of a Bose-Einstein condensate of molecular dimers into pairs of constituent bosonic atoms and analyze the resulting atom-atom correlations. The quantum fields of both the molecules and atoms are simulated from first principles in three dimensions using the positive-P representation method. This allows us to provide an exact treatment of the molecular field depletion and s-wave scattering interactions between the particles, as well as to extend the analysis to nonuniform systems. In the simplest uniform case, we find that the major source of atom-atom decorrelation is atom-atom recombination which produces molecules outside the initially occupied condensate mode. The unwanted molecules are formed from dissociated atom pairs with nonopposite momenta. The net effect of this process-which becomes increasingly significant for dissociation durations corresponding to more than about 40% conversion-is to reduce the atom-atom correlations. In addition, for nonuniform systems we find that mode mixing due to inhomogeneity can result in further degradation of the correlation signal. We characterize the correlation strength via the degree of squeezing of particle number-difference fluctuations in a certain momentum-space volume and show that the correlation strength can be increased if the signals are binned into larger counting volumes.

Numerical method for determination of the NMR frequency of the single-qubit operation in a silicon-based solid-state quantum computer

A numerical method is introduced to determine the nuclear magnetic resonance frequency of a donor (P-31) doped inside a silicon substrate under the influence of an applied electric field. This phosphorus donor has been suggested for operation as a qubit for the realization of a solid-state scalable quantum computer. The operation of the qubit is achieved by a combination of the rotation of the phosphorus nuclear spin through a globally applied magnetic field and the selection of the phosphorus nucleus through a locally applied electric field. To realize the selection function, it is required to know the relationship between the applied electric field and the change of the nuclear magnetic resonance frequency of phosphorus. In this study, based on the wave functions obtained by the effective-mass theory, we introduce an empirical correction factor to the wave functions at the donor nucleus. Using the corrected wave functions, we formulate a first-order perturbation theory for the perturbed system under the influence of an electric field. In order to calculate the potential distributions inside the silicon and the silicon dioxide layers due to the applied electric field, we use the multilayered Green's functions and solve an integral equation by the moment method. This enables us to consider more realistic, arbitrary shape, and three-dimensional qubit structures. With the calculation of the potential distributions, we have investigated the effects of the thicknesses of silicon and silicon dioxide layers, the relative position of the donor, and the applied electric field on the nuclear magnetic resonance frequency of the donor.

Dynamic behaviour of rotary mechanical seals

This thesis covers both experimental and computer investigations into the dynamic behaviour of mechanical seals. The literature survey shows no investigations on the effect of vibration on mechanical seals of the type common in the various process industries. Typical seal designs are discussed. A form of Reynolds' equation has been developed that permits the calculation of stiffnesses and damping coefficients for the fluid film. The dynamics of the mechanical seal floating ring have been investigated using approximate formulae, and it has been shown that the floating ring will behave as a rigid body. Some elements, such as the radial damping due to the fluid film, are small and may be neglected. The equations of motion of the floating ring have been developed utilising the significant elements, and a solution technique described. The stiffness and damping coefficients of nitrile rubber o-rings have been obtained. These show a wide variation, with a constant stiffness up to 60 Hz. The importance of the effect of temperature on the properties is discussed. An unsuccessful test rig is described in the appendices. The dynamic behaviour of a mechanical seal has been investigated experimentally, including the effect of changes of speed, sealed pressure and seal geometry. The results, as expected, show that high vibration levels result in both high leakage and seal temperatures. Computer programs have been developed to solve Reynolds' Equation and the equations of motion. Two solution techniques for this latter program were developed, the unsuccesful technique is described in the appendices. Some stability problems were encountered, but despite these the solution shows good agreement with some of the experimental conditions. Possible reasons for the discrepancies are discussed. Various suggestions for future work in this field are given. These include the combining of the programs and more extensive experimental and computer modelling.

Exotic meson decay widths using lattice quantum chromodynamics

Most experiments in particle physics are scattering experiments, the analysis of which leads to masses, scattering phases, decay widths and other properties of one or multi-particle systems. Until the advent of Lattice Quantum Chromodynamics (LQCD) it was difficult to compare experimental results on low energy hadron-hadron scattering processes to the predictions of QCD, the current theory of strong interactions. The reason being, at low energies the QCD coupling constant becomes large and the perturbation expansion for scattering; amplitudes does not converge. To overcome this, one puts the theory onto a lattice, imposes a momentum cutoff, and computes the integral numerically. For particle masses, predictions of LQCD agree with experiment, but the area of decay widths is largely unexplored. ^ LQCD provides ab initio access to unusual hadrons like exotic mesons that are predicted to contain real gluonic structure. To study decays of these type resonances the energy spectra of a two-particle decay state in a finite volume of dimension L can be related to the associated scattering phase shift δ(k) at momentum k through exact formulae derived by Lüscher. Because the spectra can be computed using numerical Monte Carlo techniques, the scattering phases can thus be determined using Lüscher's formulae, and the corresponding decay widths can be found by fitting Breit-Wigner functions. ^ Results of such a decay width calculation for an exotic hybrid( h) meson (JPC = 1-+) are presented for the decay channel h → πa 1. This calculation employed Lüscher's formulae and an approximation of LQCD called the quenched approximation. Energy spectra for the h and πa1 systems were extracted using eigenvalues of a correlation matrix, and the corresponding scattering phase shifts were determined for a discrete set of πa1 momenta. Although the number of phase shift data points was sparse, fits to a Breit-Wigner model were made, resulting in a decay width of about 60 MeV. ^

A micro-opto-electro-mechanical system (MOEMS) for microstructure manipulation

Microstructure manipulation is a fundamental process to the study of biology and medicine, as well as to advance micro- and nano-system applications. Manipulation of microstructures has been achieved through various microgripper devices developed recently, which lead to advances in micromachine assembly, and single cell manipulation, among others. Only two kinds of integrated feedback have been demonstrated so far, force sensing and optical binary feedback. As a result, the physical, mechanical, optical, and chemical information about the microstructure under study must be extracted from macroscopic instrumentation, such as confocal fluorescence microscopy and Raman spectroscopy. In this research work, novel Micro-Opto-Electro-Mechanical-System (MOEMS) microgrippers are presented. These devices utilize flexible optical waveguides as gripping arms, which provide the physical means for grasping a microobject, while simultaneously enabling light to be delivered and collected. This unique capability allows extensive optical characterization of the structure being held such as transmission, reflection, or fluorescence. The microgrippers require external actuation which was accomplished by two methods: initially with a micrometer screw, and later with a piezoelectric actuator. Thanks to a novel actuation mechanism, the "fishbone", the gripping facets remain parallel within 1 degree. The design, simulation, fabrication, and characterization are systematically presented. The devices mechanical operation was verified by means of 3D finite element analysis simulations. Also, the optical performance and losses were simulated by the 3D-to-2D effective index (finite difference time domain FDTD) method as well as 3D Beam Propagation Method (3D-BPM). The microgrippers were designed to manipulate structures from submicron dimensions up to approximately 100 μm. The devices were implemented in SU-8 due to its suitable optical and mechanical properties. This work demonstrates two practical applications: the manipulation of single SKOV-3 human ovarian carcinoma cells, and the detection and identification of microparts tagged with a fluorescent "barcode" implemented with quantum dots. The novel devices presented open up new possibilities in the field of micromanipulation at the microscale, scalable to the nano-domain.

Outer rotor mechanical and dynamic performance analysis for high-speed machine

Due to high-speed rotation, the problems about rotor mechanics and dynamics for outer rotor high-speed machine are more serious than conventional ones, in view of above problems the mechanical and dynamics analysis for an outer rotor high-speed permanent magnet claw pole motor are carried out. The rotor stress analytical calculation model was derived, then the stress distribution is calculated by finite element method also, which is coincided with that calculated by analytical model. In addition, the stress distribution of outer rotor yoke and PMs considering centrifugal force and temperature effect has been calculated, some influence factors on rotor stress distribution have been analyzed such as pole-arc coefficient and speed. The rotor natural frequency and critical speed were calculated by vibration mode analysis, and its dynamics characteristics influenced by gyroscope effect were analyzed based on Campbell diagram. Based on the analysis results above an outer rotor permanent magnet high-speed claw pole motor is design and verified.

A Micro-Opto-Electro-Mechanical System (MOEMS) for Microstructure Manipulation

Microstructure manipulation is a fundamental process to the study of biology and medicine, as well as to advance micro- and nano-system applications. Manipulation of microstructures has been achieved through various microgripper devices developed recently, which lead to advances in micromachine assembly, and single cell manipulation, among others. Only two kinds of integrated feedback have been demonstrated so far, force sensing and optical binary feedback. As a result, the physical, mechanical, optical, and chemical information about the microstructure under study must be extracted from macroscopic instrumentation, such as confocal fluorescence microscopy and Raman spectroscopy. In this research work, novel Micro-Opto-Electro-Mechanical-System (MOEMS) microgrippers are presented. These devices utilize flexible optical waveguides as gripping arms, which provide the physical means for grasping a microobject, while simultaneously enabling light to be delivered and collected. This unique capability allows extensive optical characterization of the structure being held such as transmission, reflection, or fluorescence. The microgrippers require external actuation which was accomplished by two methods: initially with a micrometer screw, and later with a piezoelectric actuator. Thanks to a novel actuation mechanism, the “fishbone”, the gripping facets remain parallel within 1 degree. The design, simulation, fabrication, and characterization are systematically presented. The devices mechanical operation was verified by means of 3D finite element analysis simulations. Also, the optical performance and losses were simulated by the 3D-to-2D effective index (finite difference time domain FDTD) method as well as 3D Beam Propagation Method (3D-BPM). The microgrippers were designed to manipulate structures from submicron dimensions up to approximately 100 µm. The devices were implemented in SU-8 due to its suitable optical and mechanical properties. This work demonstrates two practical applications: the manipulation of single SKOV-3 human ovarian carcinoma cells, and the detection and identification of microparts tagged with a fluorescent “barcode” implemented with quantum dots. The novel devices presented open up new possibilities in the field of micromanipulation at the microscale, scalable to the nano-domain.

Quantum-limited estimation of continuous spontaneous localization

We apply the formalism of quantum estimation theory to extract information about potential collapse mechanisms of the continuous spontaneous localisation (CSL) form.
In order to estimate the strength with which the field responsible for the CSL mechanism couples to massive systems, we consider the optomechanical interaction
between a mechanical resonator and a cavity field. Our estimation strategy passes through the probing of either the state of the oscillator or that of the electromagnetic field that drives its motion. In particular, we concentrate on all-optical measurements, such as homodyne and heterodyne measurements.
We also compare the performances of such strategies with those of a spin-assisted optomechanical system, where the estimation of the CSL parameter is performed
through time-gated spin-like measurements.