Time-Dependent Invariants for Dirac Equation and Newton-Wigner Position Operator

For Dirac equation, operator-invariants containing explicit time-dependence in parallel to known time-dependent invariants of nonrelativistic Schr\"odinger equation are introduced and discussed. As an example, a free Dirac particle is considered and new invariants are constructed for it. The integral of motion, which is initial Newton-Wigner position operator, is obtained explicitly for a free Dirac particle. For such particle with kick modeled by delta-function of time, the time-depending integral, which has physical meaning of initial momentum, is found.Comment: LATEX,21 pages,submitted to Physica Script

A Magnetic Resonance Realization of Decoherence-Free Quantum Computation

We report the realization, using nuclear magnetic resonance techniques, of the first quantum computer that reliably executes an algorithm in the presence of strong decoherence. The computer is based on a quantum error avoidance code that protects against a class of multiple-qubit errors. The code stores two decoherence-free logical qubits in four noisy physical qubits. The computer successfully executes Grover's search algorithm in the presence of arbitrarily strong engineered decoherence. A control computer with no decoherence protection consistently fails under the same conditions.Comment: 5 pages with 3 figures, revtex4, accepted by Physical Review Letters; v2 minor revisions to conten

New model for surface fracture induced by dynamical stress

We introduce a model where an isotropic, dynamically-imposed stress induces fracture in a thin film. Using molecular dynamics simulations, we study how the integrated fragment distribution function depends on the rate of change and magnitude of the imposed stress, as well as on temperature. A mean-field argument shows that the system becomes unstable for a critical value of the stress. We find a striking invariance of the distribution of fragments for fixed ratio of temperature and rate of change of the stress; the interval over which this invariance holds is determined by the force fluctuations at the critical value of the stress.Comment: Revtex, 4 pages, 4 figures available upon reques

Spin and Rotations in Galois Field Quantum Mechanics

We discuss the properties of Galois Field Quantum Mechanics constructed on a vector space over the finite Galois field GF(q). In particular, we look at 2-level systems analogous to spin, and discuss how SO(3) rotations could be embodied in such a system. We also consider two-particle `spin' correlations and show that the Clauser-Horne-Shimony-Holt (CHSH) inequality is nonetheless not violated in this model.Comment: 21 pages, 11 pdf figures, LaTeX. Uses iopart.cls. Revised introduction. Additional reference

An analysis of photoemission and inverse photoemission spectra of Si(111) and sulphur-passivated InP(001) surfaces

Photoemission (PES) and inverse-photoemission spectra (IPES) for the sulphur-passivated InP(001) surface are compared with theoretical predictions based on density-functional calculations. As a test case for our methods, we also present a corresponding study of the better known Si(111) surface. The reported spectra for InP(001)-S agree well with the calculated ones if the surface is assumed to consist of a mixture of two phases, namely, the fully S-covered $(2\times2)$-reconstructed structure, which contains four S atoms in the surface unit-cell, and a $(2\times2)$ structure containing two S and two P atoms per unit cell. The latter has recently been identified in total-energy calculations as well as in core-level spectra of S-passivated Si(111)-$(2\times1)$ is in excellent agreement with the calculations. The comparison of the experimental-PES with our calculations provides additional considerations regarding the nature of the sample surface. It is also found that the commonly-used density-of-states approximation to the photo- and inverse- photoemission spectra is not valid for these systems.Comment: Submitted to Phys. Rev. B; 6 postscript formatted pages; 7 figures in gif format; postscript figures available upon reques

Time evolution, cyclic solutions and geometric phases for the generalized time-dependent harmonic oscillator

The generalized time-dependent harmonic oscillator is studied. Though several approaches to the solution of this model have been available, yet a new approach is presented here, which is very suitable for the study of cyclic solutions and geometric phases. In this approach, finding the time evolution operator for the Schr\"odinger equation is reduced to solving an ordinary differential equation for a c-number vector which moves on a hyperboloid in a three-dimensional space. Cyclic solutions do not exist for all time intervals. A necessary and sufficient condition for the existence of cyclic solutions is given. There may exist some particular time interval in which all solutions with definite parity, or even all solutions, are cyclic. Criterions for the appearance of such cases are given. The known relation that the nonadiabatic geometric phase for a cyclic solution is proportional to the classical Hannay angle is reestablished. However, this is valid only for special cyclic solutions. For more general ones, the nonadiabatic geometric phase may contain an extra term. Several cases with relatively simple Hamiltonians are solved and discussed in detail. Cyclic solutions exist in most cases. The pattern of the motion, say, finite or infinite, can not be simply determined by the nature of the Hamiltonian (elliptic or hyperbolic, etc.). For a Hamiltonian with a definite nature, the motion can changes from one pattern to another, that is, some kind of phase transition may occur, if some parameter in the Hamiltonian goes through some critical value.Comment: revtex4, 28 pages, no figur

Mass recalibration for desorption electrospray ionization mass spectrometry imaging using endogenous reference ions

Abstract Background Mass spectrometry imaging (MSI) data often consist of tens of thousands of mass spectra collected from a sample surface. During the time necessary to perform a single acquisition, it is likely that uncontrollable factors alter the validity of the initial mass calibration of the instrument, resulting in mass errors of magnitude significantly larger than their theoretical values. This phenomenon has a two-fold detrimental effect: (a) it reduces the ability to interpret the results based on the observed signals, (b) it can affect the quality of the observed signal spatial distributions. Results We present a post-acquisition computational method capable of reducing the observed mass drift by up to 60 ppm in biological samples, exploiting the presence of typical molecules with a known mass-to-charge ratio. The procedure, tested on time-of-flight and Orbitrap mass spectrometry analyzers interfaced to a desorption electrospray ionization (DESI) source, improves the molecular annotation quality and the spatial distributions of the detected ions. Conclusion The presented method represents a robust and accurate tool for performing post-acquisition mass recalibration of DESI-MSI datasets and can help to increase the reliability of the molecular assignment and the data quality. </jats:sec

Soliton formation from a pulse passing the zero-dispersion point in a nonlinear Schr\"odinger equation

We consider in detail the self-trapping of a soliton from a wave pulse that passes from a defocussing region into a focussing one in a spatially inhomogeneous nonlinear waveguide, described by a nonlinear Schrodinger equation in which the dispersion coefficient changes its sign from normal to anomalous. The model has direct applications to dispersion-decreasing nonlinear optical fibers, and to natural waveguides for internal waves in the ocean. It is found that, depending on the (conserved) energy and (nonconserved) mass of the initial pulse, four qualitatively different outcomes of the pulse transformation are possible: decay into radiation; self-trapping into a single soliton; formation of a breather; and formation of a pair of counterpropagating solitons. A corresponding chart is drawn on a parametric plane, which demonstrates some unexpected features. In particular, it is found that any kind of soliton(s) (including the breather and counterpropagating pair) eventually decays into pure radiation with the increase of the energy, the initial mass being kept constant. It is also noteworthy that a virtually direct transition from a single soliton into a pair of symmetric counterpropagating ones seems possible. An explanation for these features is proposed. In two cases when analytical approximations apply, viz., a simple perturbation theory for broad initial pulses, or the variational approximation for narrow ones, comparison with the direct simulations shows reasonable agreement.Comment: 18 pages, 10 figures, 1 table. Phys. Rev. E, in pres

Metagenomic analysis of gut microbial communities from a Central Asian population

OBJECTIVE: Changes in the gut microbiota are increasingly recognised to be involved in many diseases. This ecosystem is known to be shaped by many factors, including climate, geography, host nutrition, lifestyle and medication. Thus, knowledge of varying populations with different habits is important for a better understanding of the microbiome. DESIGN: We therefore conducted a metagenomic analysis of intestinal microbiota from Kazakh donors, recruiting 84 subjects, including male and female healthy subjects and metabolic syndrome (MetS) patients aged 25-75 years, from the Kazakh administrative centre, Astana. We characterise and describe these microbiomes, the first deep-sequencing cohort from Central Asia, in comparison with a global dataset (832 individuals from five countries on three continents), and explore correlations between microbiota, clinical and laboratory parameters as well as with nutritional data from Food Frequency Questionnaires. RESULTS: We observe that Kazakh microbiomes are relatively different from both European and East Asian counterparts, though similar to other Central Asian microbiomes, with the most striking difference being significantly more samples falling within the Prevotella-rich enterotype, potentially reflecting regional diet and lifestyle. We show that this enterotype designation remains stable within an individual over time in 82% of cases. We further observe gut microbiome features that distinguish MetS patients from controls (eg, significantly reduced Firmicutes to Bacteroidetes ratio, Bifidobacteria and Subdoligranulum, alongside increased Prevotella), though these overlap little with previously published reports and thus may reflect idiosyncrasies of the present cohort. CONCLUSION: Taken together, this exploratory study describes gut microbiome data from an understudied population, providing a starting point for further comparative work on biogeography and research on widespread diseases. TRIAL REGISTRATION NUMBER: ISRCTN37346212; Post-results