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Sample records for non-adiabatic geometric phases

  1. Experimental realization of non-adiabatic universal quantum gates using geometric Landau-Zener-Stückelberg interferometry

    PubMed Central

    Wang, Li; Tu, Tao; Gong, Bo; Zhou, Cheng; Guo, Guang-Can

    2016-01-01

    High fidelity universal gates for quantum bits form an essential ingredient of quantum information processing. In particular, geometric gates have attracted attention because they have a higher intrinsic resistance to certain errors. However, their realization remains a challenge because of the need for complicated quantum control on a multi-level structure as well as meeting the adiabatic condition within a short decoherence time. Here, we demonstrate non-adiabatic quantum operations for a two-level system by applying a well-controlled geometric Landau-Zener-Stückelberg interferometry. By characterizing the gate quality, we also investigate the operation in the presence of realistic dephasing. Furthermore, the result provides an essential model suitable for understanding an interplay of geometric phase and Landau-Zener-Stückelberg process which are well explored separately. PMID:26738875

  2. Experimental realization of non-adiabatic universal quantum gates using geometric Landau-Zener-Stückelberg interferometry.

    PubMed

    Wang, Li; Tu, Tao; Gong, Bo; Zhou, Cheng; Guo, Guang-Can

    2016-01-07

    High fidelity universal gates for quantum bits form an essential ingredient of quantum information processing. In particular, geometric gates have attracted attention because they have a higher intrinsic resistance to certain errors. However, their realization remains a challenge because of the need for complicated quantum control on a multi-level structure as well as meeting the adiabatic condition within a short decoherence time. Here, we demonstrate non-adiabatic quantum operations for a two-level system by applying a well-controlled geometric Landau-Zener-Stückelberg interferometry. By characterizing the gate quality, we also investigate the operation in the presence of realistic dephasing. Furthermore, the result provides an essential model suitable for understanding an interplay of geometric phase and Landau-Zener-Stückelberg process which are well explored separately.

  3. Experimental realization of non-adiabatic universal quantum gates using geometric Landau-Zener-Stückelberg interferometry

    NASA Astrophysics Data System (ADS)

    Wang, Li; Tu, Tao; Gong, Bo; Zhou, Cheng; Guo, Guang-Can

    2016-01-01

    High fidelity universal gates for quantum bits form an essential ingredient of quantum information processing. In particular, geometric gates have attracted attention because they have a higher intrinsic resistance to certain errors. However, their realization remains a challenge because of the need for complicated quantum control on a multi-level structure as well as meeting the adiabatic condition within a short decoherence time. Here, we demonstrate non-adiabatic quantum operations for a two-level system by applying a well-controlled geometric Landau-Zener-Stückelberg interferometry. By characterizing the gate quality, we also investigate the operation in the presence of realistic dephasing. Furthermore, the result provides an essential model suitable for understanding an interplay of geometric phase and Landau-Zener-Stückelberg process which are well explored separately.

  4. Preliminary results on the determination of the theoretical non-adiabatic observable phase lag (ψT) using VIRGO color photometry

    NASA Astrophysics Data System (ADS)

    Simoniello, R.; Garrido, R.; Jiménez, A.

    2008-06-01

    The helioseismic instruments aboard the SOHO satellite make it possible to measure solar oscillations as variations of the irradiance (VIRGO) or as variations of the photospheric velocity (GOLF). Theoretically, phase differences between different photometric bands are expected to be around 0 degrees over the p-mode frequency range. By using VIRGO (red) and VIRGO (blue) data, we find a mean phase shift of 8.05±1.81°, whereas by using VIRGO (green) and VIRGO (blue) data, we got a mean value of -1.04±0.19°. Hence, when the analysis includes the VIRGO infrared range, the Sun's atmosphere does not follow an exact adiabatic behavior. In this study, we use the phase shifts obtained by VIRGO (green) and VIRGO (blue) to determine the non-adiabatic parameter phase lag (ψT) as a function of frequency. To this aim, we applied the non radial linearized formula put in the complex form by Garrido: we found a mean value of ψT = 179.95°. The lowest value being ψT = 179.90°, the departure from theoretical predictions is less then a tenth of a degree over the entire p mode frequency range. We can state that the solar atmosphere has a behavior close to the adiabatic case, when the phase shifts and amplitude ratios are computed using VIRGO (green) and VIRGO (blue) data. Nevertheless this small deviation is significant.

  5. Geometric phase in Bohmian mechanics

    SciTech Connect

    Chou, Chia-Chun; Wyatt, Robert E.

    2010-10-15

    Using the quantum kinematic approach of Mukunda and Simon, we propose a geometric phase in Bohmian mechanics. A reparametrization and gauge invariant geometric phase is derived along an arbitrary path in configuration space. The single valuedness of the wave function implies that the geometric phase along a path must be equal to an integer multiple of 2{pi}. The nonzero geometric phase indicates that we go through the branch cut of the action function from one Riemann sheet to another when we locally travel along the path. For stationary states, quantum vortices exhibiting the quantized circulation integral can be regarded as a manifestation of the geometric phase. The bound-state Aharonov-Bohm effect demonstrates that the geometric phase along a closed path contains not only the circulation integral term but also an additional term associated with the magnetic flux. In addition, it is shown that the geometric phase proposed previously from the ensemble theory is not gauge invariant.

  6. Geometric phase shifting digital holography.

    PubMed

    Jackin, Boaz Jessie; Narayanamurthy, C S; Yatagai, Toyohiko

    2016-06-01

    A new phase shifting digital holographic technique using a purely geometric phase in Michelson interferometric geometry is proposed. The geometric phase in the system does not depend upon either optical path length or wavelength, unlike dynamic phase. The amount of geometric phase generated is controllable through a rotating wave plate. The new approach has unique features and major advantages in holographic measurement of transparent and reflecting three-dimensional (3D) objects. Experimental results on surface shape measurement and imaging of 3D objects are presented using the proposed method.

  7. Guiding light via geometric phases

    NASA Astrophysics Data System (ADS)

    Slussarenko, Sergei; Alberucci, Alessandro; Jisha, Chandroth P.; Piccirillo, Bruno; Santamato, Enrico; Assanto, Gaetano; Marrucci, Lorenzo

    2016-09-01

    All known methods for transverse confinement and guidance of light rely on modification of the refractive index, that is, on the scalar properties of electromagnetic radiation. Here, we disclose the concept of a dielectric waveguide that exploits vectorial spin-orbit interactions of light and the resulting geometric phases. The approach relies on the use of anisotropic media with an optic axis that lies orthogonal to the propagation direction but is spatially modulated, so that the refractive index remains constant everywhere. A spin-controlled cumulative phase distortion is imposed on the beam, balancing diffraction for a specific polarization. As well as theoretical analysis, we present an experimental demonstration of the guidance using a series of discrete geometric-phase lenses made from liquid crystal. Our findings show that geometric phases may determine the optical guiding behaviour well beyond a Rayleigh length, paving the way to a new class of photonic devices. The concept is applicable to the whole electromagnetic spectrum.

  8. Geometrical Phases in Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Christian, Joy Julius

    In quantum mechanics, the path-dependent geometrical phase associated with a physical system, over and above the familiar dynamical phase, was initially discovered in the context of adiabatically changing environments. Subsequently, Aharonov and Anandan liberated this phase from the original formulation of Berry, which used Hamiltonians, dependent on curves in a classical parameter space, to represent the cyclic variations of the environments. Their purely quantum mechanical treatment, independent of Hamiltonians, instead used the non-trivial topological structure of the projective space of one-dimensional subspaces of an appropriate Hilbert space. The geometrical phase, in their treatment, results from a parallel transport of the time-dependent pure quantum states along a curve in this space, which is endowed with an abelian connection. Unlike Berry, they were able to achieve this without resort to an adiabatic approximation or to a time-independent eigenvalue equation. Prima facie, these two approaches are conceptually quite different. After a review of both approaches, an exposition bridging this apparent conceptual gap is given; by rigorously analyzing a model composite system, it is shown that, in an appropriate correspondence limit, the Berry phase can be recovered as a special case from the Aharonov-Anandan phase. Moreover, the model composite system is used to show that Berry's correction to the traditional Born-Oppenheimer energy spectra indeed brings the spectra closer to the exact results. Then, an experimental arrangement to measure geometrical phases associated with cyclic and non-cyclic variations of quantum states of an entangled composite system is proposed, utilizing the fundamental ideas of the recently opened field of two-particle interferometry. This arrangement not only resolves the controversy regarding the true nature of the phases associated with photon states, but also unequivocally predicts experimentally accessible geometrical phases in a

  9. Moving walls and geometric phases

    NASA Astrophysics Data System (ADS)

    Facchi, Paolo; Garnero, Giancarlo; Marmo, Giuseppe; Samuel, Joseph

    2016-09-01

    We unveil the existence of a non-trivial Berry phase associated to the dynamics of a quantum particle in a one dimensional box with moving walls. It is shown that a suitable choice of boundary conditions has to be made in order to preserve unitarity. For these boundary conditions we compute explicitly the geometric phase two-form on the parameter space. The unboundedness of the Hamiltonian describing the system leads to a natural prescription of renormalization for divergent contributions arising from the boundary.

  10. Non-Adiabatic Holonomic Quantum Gates in an atomic system

    NASA Astrophysics Data System (ADS)

    Azimi Mousolou, Vahid; Canali, Carlo M.; Sjoqvist, Erik

    2012-02-01

    Quantum computation is essentially the implementation of a universal set of quantum gate operations on a set of qubits, which is reliable in the presence of noise. We propose a scheme to perform robust gates in an atomic four-level system using the idea of non-adiabatic holonomic quantum computation proposed in [1]. The gates are realized by applying sequences of short laser pulses that drive transitions between the four energy levels in such a way that the dynamical phases vanish. [4pt] [1] E. Sjoqvist, D.M. Tong, B. Hessmo, M. Johansson, K. Singh, arXiv:1107.5127v2 [quant-ph

  11. Non-adiabatic Rayleigh-Taylor instability

    NASA Astrophysics Data System (ADS)

    Canfield, Jesse; Denissen, Nicholas; Reisner, Jon

    2016-11-01

    Onset of Rayleigh-Taylor instability (RTI) in a non-adiabatic environment is investigated with the multi-physics numerical model, FLAG. This work was inspired by laboratory experiments of non-adiabatic RTI, where a glass vessel with a layer of tetrahyrdofuran (THF) below a layer of toluene was placed inside a microwave. THF, a polar solvent, readily absorbs electromagnetic energy from microwaves. Toluene, a non-polar solvent, is nearly transparent to microwave heating. The presence of a heat source in the THF layer produced convection and a time-dependent Atwood number (At). The system, initially in stable hydrostatic equilibrium At < 0 , was set into motion by microwave induced, volumetric heating of the THF. The point when At > 0 , indicates that the system is RTI unstable. The observed dominant mode at the onset of RTI was the horizontal length scale of the vessel. This scale is contrary to classical RTI, where the modes start small and increases in scale with time. It is shown that the dominant RTI mode observed in the experiments was determined by the THF length scale prior to RTI. The dominant length scale transitions from the THF to the toluene via the updrafts and downdrafts in the convective cells. This happens when At passes from negative to positive. This work was funded by the Advanced Simulation and Computing Program.

  12. Geometric Mixing, Peristalsis, and the Geometric Phase of the Stomach

    PubMed Central

    Arrieta, Jorge; Cartwright, Julyan H. E.; Gouillart, Emmanuelle; Piro, Nicolas; Piro, Oreste; Tuval, Idan

    2015-01-01

    Mixing fluid in a container at low Reynolds number— in an inertialess environment—is not a trivial task. Reciprocating motions merely lead to cycles of mixing and unmixing, so continuous rotation, as used in many technological applications, would appear to be necessary. However, there is another solution: movement of the walls in a cyclical fashion to introduce a geometric phase. We show using journal-bearing flow as a model that such geometric mixing is a general tool for using deformable boundaries that return to the same position to mix fluid at low Reynolds number. We then simulate a biological example: we show that mixing in the stomach functions because of the “belly phase,” peristaltic movement of the walls in a cyclical fashion introduces a geometric phase that avoids unmixing. PMID:26154384

  13. Geometric Mixing, Peristalsis, and the Geometric Phase of the Stomach.

    PubMed

    Arrieta, Jorge; Cartwright, Julyan H E; Gouillart, Emmanuelle; Piro, Nicolas; Piro, Oreste; Tuval, Idan

    2015-01-01

    Mixing fluid in a container at low Reynolds number--in an inertialess environment--is not a trivial task. Reciprocating motions merely lead to cycles of mixing and unmixing, so continuous rotation, as used in many technological applications, would appear to be necessary. However, there is another solution: movement of the walls in a cyclical fashion to introduce a geometric phase. We show using journal-bearing flow as a model that such geometric mixing is a general tool for using deformable boundaries that return to the same position to mix fluid at low Reynolds number. We then simulate a biological example: we show that mixing in the stomach functions because of the "belly phase," peristaltic movement of the walls in a cyclical fashion introduces a geometric phase that avoids unmixing.

  14. Second-quantized formulation of geometric phases

    SciTech Connect

    Deguchi, Shinichi; Fujikawa, Kazuo

    2005-07-15

    The level crossing problem and associated geometric terms are neatly formulated by the second-quantized formulation. This formulation exhibits a hidden local gauge symmetry related to the arbitrariness of the phase choice of the complete orthonormal basis set. By using this second-quantized formulation, which does not assume adiabatic approximation, a convenient exact formula for the geometric terms including off-diagonal geometric terms is derived. The analysis of geometric phases is then reduced to a simple diagonalization of the Hamiltonian, and it is analyzed both in the operator and path-integral formulations. If one diagonalizes the geometric terms in the infinitesimal neighborhood of level crossing, the geometric phases become trivial (and thus no monopole singularity) for arbitrarily large but finite time interval T. The integrability of Schroedinger equation and the appearance of the seemingly nonintegrable phases are thus consistent. The topological proof of the Longuet-Higgins' phase-change rule, for example, fails in the practical Born-Oppenheimer approximation where a large but finite ratio of two time scales is involved and T is identified with the period of the slower system. The difference and similarity between the geometric phases associated with level crossing and the exact topological object such as the Aharonov-Bohm phase become clear in the present formulation. A crucial difference between the quantum anomaly and the geometric phases is also noted.

  15. Coherent control using kinetic energy and the geometric phase of a conical intersection

    NASA Astrophysics Data System (ADS)

    Liekhus-Schmaltz, Chelsea; McCracken, Gregory A.; Kaldun, Andreas; Cryan, James P.; Bucksbaum, Philip H.

    2016-10-01

    Conical intersections (CIs) between molecular potential energy surfaces with non-vanishing non-adiabatic couplings generally occur in any molecule consisting of at least three atoms. They play a fundamental role in describing the molecular dynamics beyond the Born-Oppenheimer approximation and have been used to understand a large variety of effects, from photofragmentation and isomerization to more exotic applications such as exciton fission in semiconductors. However, few studies have used the features of a CI as a tool for coherent control. Here we demonstrate two modes of control around a conical intersection. The first uses a continuous light field to control the population on the two intersecting electronic states in the vicinity of a CI. The second uses a pulsed light field to control wavepackets that are subjected to the geometric phase shift in transit around a CI. This second technique is likely to be useful for studying the role of nuclear dynamics in electronic coherence phenomena.

  16. Quantum gates and their coexisting geometric phases

    SciTech Connect

    Wu Lianao; Bishop, C. Allen; Byrd, Mark S.

    2011-08-15

    Geometric phases arise naturally in a variety of quantum systems with observable consequences. They also arise in quantum computations when dressed states are used in gating operations. Here we show how they arise in these gating operations and how one may take advantage of the dressed states producing them. Specifically, we show that for a given, but arbitrary Hamiltonian, and at an arbitrary time {tau}, there always exists a set of dressed states such that a given gate operation can be performed by the Hamiltonian up to a phase {phi}. The phase is a sum of a dynamical phase and a geometric phase. We illustrate the dressed phase for several systems.

  17. The Geometric Phase of Stock Trading

    PubMed Central

    2016-01-01

    Geometric phases describe how in a continuous-time dynamical system the displacement of a variable (called phase variable) can be related to other variables (shape variables) undergoing a cyclic motion, according to an area rule. The aim of this paper is to show that geometric phases can exist also for discrete-time systems, and even when the cycles in shape space have zero area. A context in which this principle can be applied is stock trading. A zero-area cycle in shape space represents the type of trading operations normally carried out by high-frequency traders (entering and exiting a position on a fast time-scale), while the phase variable represents the cash balance of a trader. Under the assumption that trading impacts stock prices, even zero-area cyclic trading operations can induce geometric phases, i.e., profits or losses, without affecting the stock quote. PMID:27556642

  18. The geometric phase controls ultracold chemistry

    SciTech Connect

    Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

    2015-07-30

    In this study, the geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born–Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O + OH → H + O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.

  19. The geometric phase controls ultracold chemistry

    PubMed Central

    Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

    2015-01-01

    The geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born–Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O+OH→H+O2 reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity. PMID:26224326

  20. Geometric phases in self-induced transparency

    SciTech Connect

    Sen, T; Milovich, J

    1991-05-01

    We consider the geometric phases arising in the lossless propagation of light pulses through a medium composed of near resonant two-level atoms. A reformulation of the coupled Maxwell-Schroedinger equations allows us to construct conservation laws in a general context. There exist periodic solutions of these equations which lead to the possibility of cyclical evolution of the state vector and the appearance of a geometric phase. We first show that if the ground state is the initial state of the system, then it acquires a geometric phase after the passage of the soliton pulses of McCall and Hahn. More generally if the initial state is a superposition of the two levels, continuous pulse trains can propagate without appreciable loss. We also find in this case that the state vector develops a geometric phase provided the parameters take on the particular values required for cyclical evolution. In both cases we exhibit the geometric character of the calculated phases by showing that they equal half the solid angle subtended by a closed curve traced by the Bloch, vector on the Bloch sphere. We verify a recent assertion of Anandan and Aharonov that the energy uncertainty in the state is directly related to the speed at which the tip of the Bloch vector moves along the curve on the Bloch sphere (or in more general terms the energy uncertainty is related to the speed in the projective Hilbert space).

  1. Classical light beams and geometric phases.

    PubMed

    Mukunda, N; Chaturvedi, S; Simon, R

    2014-06-01

    We present a study of geometric phases in classical wave and polarization optics using the basic mathematical framework of quantum mechanics. Important physical situations taken from scalar wave optics, pure polarization optics, and the behavior of polarization in the eikonal or ray limit of Maxwell's equations in a transparent medium are considered. The case of a beam of light whose propagation direction and polarization state are both subject to change is dealt with, attention being paid to the validity of Maxwell's equations at all stages. Global topological aspects of the space of all propagation directions are discussed using elementary group theoretical ideas, and the effects on geometric phases are elucidated.

  2. Non-adiabatic perturbations in Ricci dark energy model

    SciTech Connect

    Karwan, Khamphee; Thitapura, Thiti E-mail: nanodsci2523@hotmail.com

    2012-01-01

    We show that the non-adiabatic perturbations between Ricci dark energy and matter can grow both on superhorizon and subhorizon scales, and these non-adiabatic perturbations on subhorizon scales can lead to instability in this dark energy model. The rapidly growing non-adiabatic modes on subhorizon scales always occur when the equation of state parameter of dark energy starts to drop towards -1 near the end of matter era, except that the parameter α of Ricci dark energy equals to 1/2. In the case where α = 1/2, the rapidly growing non-adiabatic modes disappear when the perturbations in dark energy and matter are adiabatic initially. However, an adiabaticity between dark energy and matter perturbations at early time implies a non-adiabaticity between matter and radiation, this can influence the ordinary Sachs-Wolfe (OSW) effect. Since the amount of Ricci dark energy is not small during matter domination, the integrated Sachs-Wolfe (ISW) effect is greatly modified by density perturbations of dark energy, leading to a wrong shape of CMB power spectrum. The instability in Ricci dark energy is difficult to be alleviated if the effects of coupling between baryon and photon on dark energy perturbations are included.

  3. Non-adiabatic effect in quantum pumping for a spin-boson system

    NASA Astrophysics Data System (ADS)

    Watanabe, Kota L.; Hayakawa, Hisao

    2014-11-01

    We clarify the role of non-adiabatic effects in quantum pumping for a spin-boson system. When we sinusoidally control the temperatures of two reservoirs with π /2 phase difference, we find that the pumping current strongly depends on the initial condition, and thus, the current deviates from that predicted by the adiabatic treatment. We also analytically obtain the contribution of non-adiabatic effects in the pumping current proportional to Ω ^3, where Ω is the angular frequency of the temperature control. The validity of the analytic expression is verified by our numerical calculation. Moreover, we extend the steady heat fluctuation theorem to the case for slowly modulated temperatures and large transferred energies.

  4. Geometric stability of topological lattice phases

    PubMed Central

    Jackson, T. S.; Möller, Gunnar; Roy, Rahul

    2015-01-01

    The fractional quantum Hall (FQH) effect illustrates the range of novel phenomena which can arise in a topologically ordered state in the presence of strong interactions. The possibility of realizing FQH-like phases in models with strong lattice effects has attracted intense interest as a more experimentally accessible venue for FQH phenomena which calls for more theoretical attention. Here we investigate the physical relevance of previously derived geometric conditions which quantify deviations from the Landau level physics of the FQHE. We conduct extensive numerical many-body simulations on several lattice models, obtaining new theoretical results in the process, and find remarkable correlation between these conditions and the many-body gap. These results indicate which physical factors are most relevant for the stability of FQH-like phases, a paradigm we refer to as the geometric stability hypothesis, and provide easily implementable guidelines for obtaining robust FQH-like phases in numerical or real-world experiments. PMID:26530311

  5. The geometric phase controls ultracold chemistry

    DOE PAGES

    Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

    2015-07-30

    In this study, the geometric phase is shown to control the outcome of an ultracold chemical reaction. The control is a direct consequence of the sign change on the interference term between two scattering pathways (direct and looping), which contribute to the reactive collision process in the presence of a conical intersection (point of degeneracy between two Born–Oppenheimer electronic potential energy surfaces). The unique properties of the ultracold energy regime lead to an effective quantization of the scattering phase shift enabling maximum constructive or destructive interference between the two pathways. By taking the O + OH → H + O2more » reaction as an illustrative example, it is shown that inclusion of the geometric phase modifies ultracold reaction rates by nearly two orders of magnitude. Interesting experimental control possibilities include the application of external electric and magnetic fields that might be used to exploit the geometric phase effect reported here and experimentally switch on or off the reactivity.« less

  6. Geometric phase effects in ultracold chemistry

    NASA Astrophysics Data System (ADS)

    Hazra, Jisha; Naduvalath, Balakrishnan; Kendrick, Brian K.

    2016-05-01

    In molecules, the geometric phase, also known as Berry's phase, originates from the adiabatic transport of the electronic wavefunction when the nuclei follow a closed path encircling a conical intersection between two electronic potential energy surfaces. It is demonstrated that the inclusion of the geometric phase has an important effect on ultracold chemical reaction rates. The effect appears in rotationally and vibrationally resolved integral cross sections as well as cross sections summed over all product quantum states. It arises from interference between scattering amplitudes of two reaction pathways: a direct path and a looping path that encircle the conical intersection between the two lowest adiabatic electronic potential energy surfaces. Illustrative results are presented for the O+ OH --> H+ O2 reaction and for hydrogen exchange in H+ H2 and D+HD reactions. It is also qualitatively demonstrated that the geometric phase effect can be modulated by applying an external electric field allowing the possibility of quantum control of chemical reactions in the ultracold regime. This work was supported in part by NSF Grant PHY-1505557 (N.B.) and ARO MURI Grant No. W911NF-12-1-0476 (N.B.).

  7. Non-adiabatic transition probability dependence on conical intersection topography

    NASA Astrophysics Data System (ADS)

    Malhado, João Pedro; Hynes, James T.

    2016-11-01

    We derive a closed form analytical expression for the non-adiabatic transition probability for a distribution of trajectories passing through a generic conical intersection (CI), based on the Landau-Zener equation for the non-adiabatic transition probability for a single straight-line trajectory in the CI's vicinity. We investigate the non-adiabatic transition probability's variation with topographical features and find, for the same crossing velocity, no intrinsic difference in efficiency at promoting non-adiabatic decay between peaked and sloped CIs, a result in contrast to the commonly held view. Any increased efficiency of peaked over sloped CIs is thus due to dynamical effects rather than to any increased transition probability of topographical origin. It is also shown that the transition probability depends in general on the direction of approach to the CI, and that the coordinates' reduced mass can affect the transition probability via its influence on the CI topography in mass-scaled coordinates. The resulting predictions compare well with surface hopping simulation results.

  8. Non-adiabatic transition probability dependence on conical intersection topography.

    PubMed

    Malhado, João Pedro; Hynes, James T

    2016-11-21

    We derive a closed form analytical expression for the non-adiabatic transition probability for a distribution of trajectories passing through a generic conical intersection (CI), based on the Landau-Zener equation for the non-adiabatic transition probability for a single straight-line trajectory in the CI's vicinity. We investigate the non-adiabatic transition probability's variation with topographical features and find, for the same crossing velocity, no intrinsic difference in efficiency at promoting non-adiabatic decay between peaked and sloped CIs, a result in contrast to the commonly held view. Any increased efficiency of peaked over sloped CIs is thus due to dynamical effects rather than to any increased transition probability of topographical origin. It is also shown that the transition probability depends in general on the direction of approach to the CI, and that the coordinates' reduced mass can affect the transition probability via its influence on the CI topography in mass-scaled coordinates. The resulting predictions compare well with surface hopping simulation results.

  9. Geometric Phases in Sensing and Control

    DTIC Science & Technology

    2003-01-01

    this idea with an equal-sided, spring-jointed, four-bar mechanism and then apply the technique to a vibrating ring gyroscope. In physical systems the...Douglas Sparks of Delco Au- tomotive Systems ) . . . . . . . . . . . . . . . . . . . . . . . . . . . 23 3.4 Equal-Sided Four-Bar Mechanism ...Landsberg in [48, 49]. Many researchers have investigated the role of the geometric phase in mechan - ical systems . In problems of this type, changes

  10. Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics.

    PubMed

    White, Alexander J; Gorshkov, Vyacheslav N; Wang, Ruixi; Tretiak, Sergei; Mozyrsky, Dmitry

    2014-11-14

    Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantum mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement.

  11. Geometric Phases in Single Molecule Magnets

    NASA Astrophysics Data System (ADS)

    Fenochio, Brian Canchola

    The characterization of the material properties of Single Molecule Magnets (SMMs) has grown in importance over the last few decades with the rise of novel applications such as high-density magnetic storage and quantum computation. Many of the applications require the probing of SMMs with spectroscopic methods that make use of electromagnetic radiation. The interaction with these time-dependent fields leads to energy shifts, which can be attributed to the geometric phase acquired by the system or the Bloch-Siegert shift. We model an SMM by a giant spin Hamiltonian, and use Floquet perturbation theory to find the geometric phase shifts. The locations where the phase shift between two levels is zero is useful for performing accurate spectroscopies, whereas the regions where relative phase differences exist are useful in applications like quantum computing. Using the same giant spin Hamiltonian, we can use Floquet theory and Salwen perturbation theory to determine the Bloch-Siegert shift and derive a modified version of the Rabi formula for transition probabilities between the energy states Ealpha → Ealpha+/-1, Ealpha → Ealpha+/-3, and Ealpha → Ealpha+/-5 , where alpha is the index of an arbitrary initial state. The shifted eigenvalues and modified transition probabilities can be useful in spectroscopies where accurate values for the energy-splitting between magnetic states needs to be determined.

  12. Analysis of geometric phase effects in the quantum-classical Liouville formalism.

    PubMed

    Ryabinkin, Ilya G; Hsieh, Chang-Yu; Kapral, Raymond; Izmaylov, Artur F

    2014-02-28

    We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic states in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.

  13. ENTROPY-VORTEX WAVES IN NON-ADIABATIC FLOWS

    SciTech Connect

    Ibáñez S, Miguel H.

    2016-02-20

    The Ertel theorem on the vorticity along the flow of adiabatic fluids is generalized for non-adiabatic flows. Several limiting cases are analyzed and the results are applied to flows behind different hydrodynamics fronts, particularly to thermal fronts (heat and cooling fronts). An important conclusion of the present analysis is that vorticity is inherent in the condensation’s (or hot spots) formation by thermal instabilities in plasma flows. Implications for several astrophysical plasmas are outlined.

  14. The Electromagnetic Duality Formulation of Geometric Phases

    NASA Astrophysics Data System (ADS)

    Zhang, Yuchao; Li, Kang

    2015-06-01

    This paper focuses on the electromagnetic(EM) duality formulation of geometric phases of Aharonov-Bohm(A-B) effect and Aharonov-Casher(A-C) effect. Through the two four-vector potential formulation of electromagnetic theory, we construct a EM duality formulation for both A-B effect and A-C effect. The He-McKellar-Wilkens(HMW) effect is included as a EM duality counterpart of the A-C effect, and also the EM duality counterpart of the A-B effect is also predicted.

  15. Toroidal Precession as a Geometric Phase

    SciTech Connect

    J.W. Burby and H. Qin

    2012-09-26

    Toroidal precession is commonly understood as the orbit-averaged toroidal drift of guiding centers in axisymmetric and quasisymmetric configurations. We give a new, more natural description of precession as a geometric phase effect. In particular, we show that the precession angle arises as the holonomy of a guiding center's poloidal trajectory relative to a principal connection. The fact that this description is physically appropriate is borne out with new, manifestly coordinate-independent expressions for the precession angle that apply to all types of orbits in tokamaks and quasisymmetric stellarators alike. We then describe how these expressions may be fruitfully employed in numerical calculations of precession.

  16. Design of geometric phase measurement in EAST Tokamak

    NASA Astrophysics Data System (ADS)

    Lan, Ting; Liu, Haiqing; Liu, Jian; Qin, Hong

    2016-10-01

    The aim of this work is to propose the optimum scheme for geometric phase measurement in EAST Tokamak. On the one hand, the experimental observation of geometric phase in plasma systems is an essential verification of the geometric phase theory by a new experimental technique. On the other hand, the measurement of geometric phase confirms geometric effect as a new system error in the existing diagnostics. The geometric phase in Faraday rotation angle for linearly polarized electromagnetic waves propagating in non-uniform magnetized plasmas is a good candidate for the first identification of geometric phase in plasma. In this work, the theoretical values of geometric phase for the probe beams of EAST Polarimeter-Interferometer (POINT) system are calculated by path integration in parameter space. Several schemes are proposed for the measurement of the geometric phase in POINT system by amplifying the geometric phase and enhancing the diagnostic resolution. To reach the conditions of the designed scheme for geometric phase measurement, the feasibility of replacing individual retro reflectors (RRs) with retro reflector array (RRA) in POINT system is verified experimentally. Corresponding results are beneficial for geometric phase measurement in EAST Tokamak.

  17. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo

    SciTech Connect

    White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry

    2015-07-07

    Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.

  18. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo

    DOE PAGES

    White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; ...

    2015-07-07

    Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficientmore » as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.« less

  19. Design of geometric phase measurement in EAST Tokamak

    NASA Astrophysics Data System (ADS)

    Lan, T.; Liu, H. Q.; Liu, J.; Jie, Y. X.; Wang, Y. L.; Gao, X.; Qin, H.

    2016-07-01

    The optimum scheme for geometric phase measurement in EAST Tokamak is proposed in this paper. The theoretical values of geometric phase for the probe beams of EAST Polarimeter-Interferometer (POINT) system are calculated by path integration in parameter space. Meanwhile, the influences of some controllable parameters on geometric phase are evaluated. The feasibility and challenge of distinguishing geometric effect in the POINT signal are also assessed in detail.

  20. Geometric Phase of a Transported Oscillator

    SciTech Connect

    Dittirich, W.

    2004-02-25

    An oscillator constrained to a plane that is transported along some surface will rotate by an angle dependent only on the path and the surface, not on the speed at which it is transported. This is thus an example of a geometric phase. We analyze this phase using the methods of parallel transport. This concept plays a key role in General Relativity, but it can also be applied in classical mechanics. The Foucault pendulum can be seen as an application of this analysis, where the surface is a sphere and the curve is a line of constant latitude. In view of some considerable confusion and erroneous treatments in the recent literature, we here present a rather simple way for visualizing the motion of the Foucault pendulum using concepts that are based on Frenet's formulae and the methods of parallel displacement.

  1. Photo-induced isomerization of ethylene-bridged azobenzene explored by ab initio based non-adiabatic dynamics simulation: A comparative investigation of the isomerization in the gas and solution phases

    NASA Astrophysics Data System (ADS)

    Cao, Jun; Liu, Li-Hong; Fang, Wei-Hai; Xie, Zhi-Zhong; Zhang, Yong

    2013-04-01

    Azobenzene is one of the most widely used photoactive units and recently an ethylene-bridged azobenzene (BAB) was reported to have greatly enhanced conversion efficiency, quantum yield, and other favorable properties. As the first step towards exploring its photo-switchable character in real systems, we report here a systematic study on the photoisomerization dynamics between trans (E) and cis (Z) isomers in the gas phase and the CH3OH solution, using ab initio based surface hopping and molecular dynamics, which is the first report of dynamics simulation to reveal the environmental effects on BAB photoreactions. Results show that while the relatively faster S1 relaxation of the photo-induced E → Z process is only mildly affected by the solvent effect, the relatively slower S1 relaxation of the reverse reaction becomes even slower in the solution compared to the gas phase. The subsequent S0 dynamics from the conical intersection between S1 and S0 (CI_E) to Z is accelerated in solution compared to the gas phase because of avoided re-crossing to the S1 state, while the S0 dynamics from the conical intersection between S1 and S0 (CI_Z) to E are basically the same in both phases. Overall, the solvent effect was found to enhance the back-and-forth photo-switch efficiency between the Z and E isomers compared to the gas phase, while the quantum yields are reduced. But the solution yields of both the forward and backward photoreactions are still around 0.4. Therefore, BAB may have good photo-responsive properties if used as a photoactive unit in real systems. These results will facilitate future experimental and theoretical studies in this area to help design new azobenzene derivatives as photoactive units in biological processes, nanoscale devices, and photo-responsive materials.

  2. Digital polarization holography advancing geometrical phase optics.

    PubMed

    De Sio, Luciano; Roberts, David E; Liao, Zhi; Nersisyan, Sarik; Uskova, Olena; Wickboldt, Lloyd; Tabiryan, Nelson; Steeves, Diane M; Kimball, Brian R

    2016-08-08

    Geometrical phase or the fourth generation (4G) optics enables realization of optical components (lenses, prisms, gratings, spiral phase plates, etc.) by patterning the optical axis orientation in the plane of thin anisotropic films. Such components exhibit near 100% diffraction efficiency over a broadband of wavelengths. The films are obtained by coating liquid crystalline (LC) materials over substrates with patterned alignment conditions. Photo-anisotropic materials are used for producing desired alignment conditions at the substrate surface. We present and discuss here an opportunity of producing the widest variety of "free-form" 4G optical components with arbitrary spatial patterns of the optical anisotropy axis orientation with the aid of a digital spatial light polarization converter (DSLPC). The DSLPC is based on a reflective, high resolution spatial light modulator (SLM) combined with an "ad hoc" optical setup. The most attractive feature of the use of a DSLPC for photoalignment of nanometer thin photo-anisotropic coatings is that the orientation of the alignment layer, and therefore of the fabricated LC or LC polymer (LCP) components can be specified on a pixel-by-pixel basis with high spatial resolution. By varying the optical magnification or de-magnification the spatial resolution of the photoaligned layer can be adjusted to an optimum for each application. With a simple "click" it is possible to record different optical components as well as arbitrary patterns ranging from lenses to invisible labels and other transparent labels that reveal different images depending on the side from which they are viewed.

  3. Non-adiabatic dynamics of molecules in optical cavities

    NASA Astrophysics Data System (ADS)

    Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul

    2016-02-01

    Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of classical field, coupling to the vacuum state of a cavity has to be described in terms of dressed photon-matter states (polaritons) which require quantized fields. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime suitable for the calculation of the dressed state dynamics. The formalism allows to use quantities readily accessible from quantum chemistry codes like the adiabatic potential energy surfaces and dipole moments to carry out wave packet simulations in the dressed basis. The implications for photochemistry are demonstrated for a set of model systems representing typical situations found in molecules.

  4. Non-adiabatic dynamics of molecules in optical cavities

    SciTech Connect

    Kowalewski, Markus Bennett, Kochise; Mukamel, Shaul

    2016-02-07

    Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of classical field, coupling to the vacuum state of a cavity has to be described in terms of dressed photon-matter states (polaritons) which require quantized fields. We present a derivation of the non-adiabatic couplings for single molecules in the strong coupling regime suitable for the calculation of the dressed state dynamics. The formalism allows to use quantities readily accessible from quantum chemistry codes like the adiabatic potential energy surfaces and dipole moments to carry out wave packet simulations in the dressed basis. The implications for photochemistry are demonstrated for a set of model systems representing typical situations found in molecules.

  5. Stellar oscillations - II - The non-adiabatic case

    NASA Astrophysics Data System (ADS)

    Samadi, R.; Belkacem, K.; Sonoi, T.

    2015-02-01

    A leap forward has been performed due to the space-borne missions, MOST, CoRoT and Kepler. They provided a wealth of observational data, and more precisely oscillation spectra, which have been (and are still) exploited to infer the internal structure of stars. While an adiabatic approach is often sufficient to get information on the stellar equilibrium structures it is not sufficient to get a full understanding of the physics of the oscillation. Indeed, it does not permit one to answer some fundamental questions about the oscillations, such as: What are the physical mechanisms responsible for the pulsations inside stars? What determines the amplitudes? To what extent the adiabatic approximation is valid? All these questions can only be addressed by considering the energy exchanges between the oscillations and the surrounding medium. This lecture therefore aims at considering the energetical aspects of stellar pulsations with particular emphasis on the driving and damping mechanisms. To this end, the full non-adiabatic equations are introduced and thoroughly discussed. Two types of pulsation are distinguished, namely the self-excited oscillations that result from an instability and the solar-like oscillations that result from a balance between driving and damping by turbulent convection. For each type, the main physical principles are presented and illustrated using recent observations obtained with the ultra-high precision photometry space-borne missions (MOST, CoRoT and Kepler). Finally, we consider in detail the physics of scaling relations, which relates the seismic global indices with the global stellar parameters and gave birth to the development of statistical (or ensemble) asteroseismology. Indeed, several of these relations rely on the same cause: the physics of non-adiabatic oscillations.

  6. Observational tests of non-adiabatic Chaplygin gas

    SciTech Connect

    Carneiro, S.; Pigozzo, C. E-mail: cpigozzo@ufba.br

    2014-10-01

    In a previous paper [1] it was shown that any dark sector model can be mapped into a non-adiabatic fluid formed by two interacting components, one with zero pressure and the other with equation-of-state parameter ω = -1. It was also shown that the latter does not cluster and, hence, the former is identified as the observed clustering matter. This guarantees that the dark matter power spectrum does not suffer from oscillations or instabilities. It applies in particular to the generalised Chaplygin gas, which was shown to be equivalent to interacting models at both background and perturbation levels. In the present paper we test the non-adiabatic Chaplygin gas against the Hubble diagram of type Ia supernovae, the position of the first acoustic peak in the anisotropy spectrum of the cosmic microwave background and the linear power spectrum of large scale structures. We consider two different compilations of SNe Ia, namely the Constitution and SDSS samples, both calibrated with the MLCS2k2 fitter, and for the power spectrum we use the 2dFGRS catalogue. The model parameters to be adjusted are the present Hubble parameter, the present matter density and the Chaplygin gas parameter α. The joint analysis best fit gives α ≈ - 0.5, which corresponds to a constant-rate energy flux from dark energy to dark matter, with the dark energy density decaying linearly with the Hubble parameter. The ΛCDM model, equivalent to α = 0, stands outside the 3σ confidence interval.

  7. Geometric Phase for Adiabatic Evolutions of General Quantum States

    SciTech Connect

    Wu, Biao; Liu, Jie; Niu, Qian; Singh, David J

    2005-01-01

    The concept of a geometric phase (Berry's phase) is generalized to the case of noneigenstates, which is applicable to both linear and nonlinear quantum systems. This is particularly important to nonlinear quantum systems, where, due to the lack of the superposition principle, the adiabatic evolution of a general state cannot be described in terms of eigenstates. For linear quantum systems, our new geometric phase reduces to a statistical average of Berry's phases. Our results are demonstrated with a nonlinear two-level model.

  8. Measurement of a vacuum-induced geometric phase

    PubMed Central

    Gasparinetti, Simone; Berger, Simon; Abdumalikov, Abdufarrukh A.; Pechal, Marek; Filipp, Stefan; Wallraff, Andreas J.

    2016-01-01

    Berry’s geometric phase naturally appears when a quantum system is driven by an external field whose parameters are slowly and cyclically changed. A variation in the coupling between the system and the external field can also give rise to a geometric phase, even when the field is in the vacuum state or any other Fock state. We demonstrate the appearance of a vacuum-induced Berry phase in an artificial atom, a superconducting transmon, interacting with a single mode of a microwave cavity. As we vary the phase of the interaction, the artificial atom acquires a geometric phase determined by the path traced out in the combined Hilbert space of the atom and the quantum field. Our ability to control this phase opens new possibilities for the geometric manipulation of atom-cavity systems also in the context of quantum information processing. PMID:27386533

  9. Geometric phase for open quantum systems and stochastic unravelings

    SciTech Connect

    Bassi, Angelo; Ippoliti, Emiliano

    2006-06-15

    We analyze the geometric phase for an open quantum system when computed by resorting to a stochastic unraveling of the reduced density matrix (quantum jump approach or stochastic Schroedinger equations). We show that the resulting phase strongly depends on the type of unraveling used for the calculations: as such, this phase is not a geometric object since it depends on nonphysical parameters, which are not related to the path followed by the density matrix during the evolution of the system.

  10. A Geometrically Nonlinear Phase Field Theory of Brittle Fracture

    DTIC Science & Technology

    2014-10-01

    A Geometrically Nonlinear Phase Field Theory of Brittle Fracture by JD Clayton and J Knap ARL-RP-0511 October 2014...21005-5069 ARL-RP-0511 October 2014 A Geometrically Nonlinear Phase Field Theory of Brittle Fracture JD Clayton and J Knap Weapons and...Nonlinear Phase Field Theory of Brittle Fracture 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) JD Clayton

  11. Geometric phase gradient and spin Hall effect of light

    NASA Astrophysics Data System (ADS)

    Ling, Xiaohui; Zhou, Xinxing; Qiu, Cheng-Wei

    2016-10-01

    The spin Hall effect (SHE) of light originates from the spin-orbit interaction, which can be explained in terms of two geometric phases: the Rytov-Vladimirskii-Berry phase and the Pancharatnam-Berry phase. Here we present a unified theoretical description of the SHE based on the two types of geometric phase gradients, and observe experimentally the SHE in structured dielectric metasurfaces induced by the PB phase. Unlike the weak real-space spin-Hall shift induced by the SRB phase occurring at interfacial reflection/refraction, the observed SHE occurs in momentum space is large enough to be measured directly.

  12. Geometric curvature and phase of the Rabi model

    SciTech Connect

    Mao, Lijun; Huai, Sainan; Guo, Liping; Zhang, Yunbo

    2015-11-15

    We study the geometric curvature and phase of the Rabi model. Under the rotating-wave approximation (RWA), we apply the gauge independent Berry curvature over a surface integral to calculate the Berry phase of the eigenstates for both single and two-qubit systems, which is found to be identical with the system of spin-1/2 particle in a magnetic field. We extend the idea to define a vacuum-induced geometric curvature when the system starts from an initial state with pure vacuum bosonic field. The induced geometric phase is related to the average photon number in a period which is possible to measure in the qubit–cavity system. We also calculate the geometric phase beyond the RWA and find an anomalous sudden change, which implies the breakdown of the adiabatic theorem and the Berry phases in an adiabatic cyclic evolution are ill-defined near the anti-crossing point in the spectrum.

  13. Adiabatic and Non-adiabatic quenches in a Spin-1 Bose Einstein Condensate

    NASA Astrophysics Data System (ADS)

    Boguslawski, Matthew; Hebbe Madhusudhana, Bharath; Anquez, Martin; Robbins, Bryce; Barrios, Maryrose; Hoang, Thai; Chapman, Michael

    2016-05-01

    A quantum phase transition (QPT) is observed in a wide range of phenomena. We have studied the dynamics of a spin-1 ferromagnetic Bose-Einstein condensate for both adiabatic and non-adiabatic quenches through a QPT. At the quantum critical point (QCP), finite size effects lead to a non-zero gap, which makes an adiabatic quench possible through the QPT. We experimentally demonstrate such a quench, which is forbidden at the mean field level. For faster quenches through the QCP, the vanishing energy gap causes the reaction timescale of the system to diverge, preventing the system from adiabatically following the ground state. We measure the temporal evolution of the spin populations for different quench speeds and determine the exponents characterizing the scaling of the onset of excitations, which are in good agreement with the predictions of Kibble-Zurek mechanism.

  14. Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution

    NASA Astrophysics Data System (ADS)

    Huo, Pengfei; Coker, David F.

    2011-11-01

    An approach for treating dissipative, non-adiabatic quantum dynamics in general model systems at finite temperature based on linearizing the density matrix evolution in the forward-backward path difference for the environment degrees of freedom is presented. We demonstrate that the approach can capture both short time coherent quantum dynamics and long time thermal equilibration in an application to excitation energy transfer in a model photosynthetic light harvesting complex. Results are also presented for some nonadiabatic scattering models which indicate that, even though the method is based on a "mean trajectory" like scheme, it can accurately capture electronic population branching through multiple avoided crossing regions and that the approach offers a robust and reliable way to treat quantum dynamical phenomena in a wide range of condensed phase applications.

  15. Highly parallel implementation of non-adiabatic Ehrenfest molecular dynamics

    NASA Astrophysics Data System (ADS)

    Kanai, Yosuke; Schleife, Andre; Draeger, Erik; Anisimov, Victor; Correa, Alfredo

    2014-03-01

    While the adiabatic Born-Oppenheimer approximation tremendously lowers computational effort, many questions in modern physics, chemistry, and materials science require an explicit description of coupled non-adiabatic electron-ion dynamics. Electronic stopping, i.e. the energy transfer of a fast projectile atom to the electronic system of the target material, is a notorious example. We recently implemented real-time time-dependent density functional theory based on the plane-wave pseudopotential formalism in the Qbox/qb@ll codes. We demonstrate that explicit integration using a fourth-order Runge-Kutta scheme is very suitable for modern highly parallelized supercomputers. Applying the new implementation to systems with hundreds of atoms and thousands of electrons, we achieved excellent performance and scalability on a large number of nodes both on the BlueGene based ``Sequoia'' system at LLNL as well as the Cray architecture of ``Blue Waters'' at NCSA. As an example, we discuss our work on computing the electronic stopping power of aluminum and gold for hydrogen projectiles, showing an excellent agreement with experiment. These first-principles calculations allow us to gain important insight into the the fundamental physics of electronic stopping.

  16. GENERAL: Nonadiabatic Geometric Phase in Composite Systems and Its Subsystem

    NASA Astrophysics Data System (ADS)

    Li, Xin

    2008-11-01

    We point out that the time-dependent gauge transformation technique may be effective in investigating the nonadiabatic geometric phase of a subsystem in a composite system. As an example, we consider two uniaxially coupled spin —1/2 particles with one of particles driven by rotating magnetic Geld. The influences of coupling and precession frequency of the magnetic Geld on geometric phase are also discussed in detail.

  17. Geometric phases in astigmatic optical modes of arbitrary order

    SciTech Connect

    Habraken, Steven J. M.; Nienhuis, Gerard

    2010-08-15

    The transverse spatial structure of a paraxial beam of light is fully characterized by a set of parameters that vary only slowly under free propagation. They specify bosonic ladder operators that connect modes of different orders, in analogy to the ladder operators connecting harmonic-oscillator wave functions. The parameter spaces underlying sets of higher-order modes are isomorphic to the parameter space of the ladder operators. We study the geometry of this space and the geometric phase that arises from it. This phase constitutes the ultimate generalization of the Gouy phase in paraxial wave optics. It reduces to the ordinary Gouy phase and the geometric phase of nonastigmatic optical modes with orbital angular momentum in limiting cases. We briefly discuss the well-known analogy between geometric phases and the Aharonov-Bohm effect, which provides some complementary insights into the geometric nature and origin of the generalized Gouy phase shift. Our method also applies to the quantum-mechanical description of wave packets. It allows for obtaining complete sets of normalized solutions of the Schroedinger equation. Cyclic transformations of such wave packets give rise to a phase shift, which has a geometric interpretation in terms of the other degrees of freedom involved.

  18. Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation.

    PubMed

    Huo, Pengfei; Coker, David F

    2012-12-14

    Powerful approximate methods for propagating the density matrix of complex systems that are conveniently described in terms of electronic subsystem states and nuclear degrees of freedom have recently been developed that involve linearizing the density matrix propagator in the difference between the forward and backward paths of the nuclear degrees of freedom while keeping the interference effects between the different forward and backward paths of the electronic subsystem described in terms of the mapping Hamiltonian formalism and semi-classical mechanics. Here we demonstrate that different approaches to developing the linearized approximation to the density matrix propagator can yield a mean-field like approximate propagator in which the nuclear variables evolve classically subject to Ehrenfest-like forces that involve an average over quantum subsystem states, and by adopting an alternative approach to linearizing we obtain an algorithm that involves classical like nuclear dynamics influenced by a quantum subsystem state dependent force reminiscent of trajectory surface hopping methods. We show how these different short time approximations can be implemented iteratively to achieve accurate, stable long time propagation and explore their implementation in different representations. The merits of the different approximate quantum dynamics methods that are thus consistently derived from the density matrix propagator starting point and different partial linearization approximations are explored in various model system studies of multi-state scattering problems and dissipative non-adiabatic relaxation in condensed phase environments that demonstrate the capabilities of these different types of approximations for treating non-adiabatic electronic relaxation, bifurcation of nuclear distributions, and the passage from nonequilibrium coherent dynamics at short times to long time thermal equilibration in the presence of a model dissipative environment.

  19. Geometric phases in neutrino oscillations with nonlinear refraction

    NASA Astrophysics Data System (ADS)

    Johns, Lucas; Fuller, George M.

    2017-02-01

    Neutrinos propagating in dense astrophysical environments sustain nonlinear refractive effects due to neutrino-neutrino forward scattering. We study geometric phases in neutrino oscillations that arise out of cyclic evolution of the potential generated by these forward-scattering processes. We perform several calculations, exact and perturbative, that illustrate the robustness of such phases, and of geometric effects more broadly, in the flavor evolution of neutrinos. The scenarios we consider are highly idealized in order to make them analytically tractable, but they suggest the possible presence of complicated geometric effects in realistic astrophysical settings. We also point out that in the limit of extremely high neutrino densities, the nonlinear potential in three flavors naturally gives rise to non-Abelian geometric phases. This paper is intended to be accessible to neutrino experts and nonspecialists alike.

  20. Geometric phase of atoms in a magnetic storage ring

    SciTech Connect

    Zhang, P.; You, L.

    2006-12-15

    A magnetically trapped atom experiences an adiabatic geometric (Berry's) phase due to changing field direction. We investigate theoretically such an Aharonov-Bohm-like geometric phase for atoms adiabatically moving inside a storage ring as demonstrated in several recent experiments. Our result shows that this phase shift is easily observable in a closed-loop interference experiment, and thus the shift has to be accounted for in the proposed inertial sensing applications. The spread in phase shift due to the atom transverse distribution is quantified through numerical simulations.

  1. Classical molecular dynamics simulation of electronically non-adiabatic processes.

    PubMed

    Miller, William H; Cotton, Stephen J

    2016-12-22

    Both classical and quantum mechanics (as well as hybrids thereof, i.e., semiclassical approaches) find widespread use in simulating dynamical processes in molecular systems. For large chemical systems, however, which involve potential energy surfaces (PES) of general/arbitrary form, it is usually the case that only classical molecular dynamics (MD) approaches are feasible, and their use is thus ubiquitous nowadays, at least for chemical processes involving dynamics on a single PES (i.e., within a single Born-Oppenheimer electronic state). This paper reviews recent developments in an approach which extends standard classical MD methods to the treatment of electronically non-adiabatic processes, i.e., those that involve transitions between different electronic states. The approach treats nuclear and electronic degrees of freedom (DOF) equivalently (i.e., by classical mechanics, thereby retaining the simplicity of standard MD), and provides "quantization" of the electronic states through a symmetrical quasi-classical (SQC) windowing model. The approach is seen to be capable of treating extreme regimes of strong and weak coupling between the electronic states, as well as accurately describing coherence effects in the electronic DOF (including the de-coherence of such effects caused by coupling to the nuclear DOF). A survey of recent applications is presented to illustrate the performance of the approach. Also described is a newly developed variation on the original SQC model (found universally superior to the original) and a general extension of the SQC model to obtain the full electronic density matrix (at no additional cost/complexity).

  2. Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model

    SciTech Connect

    Joubert-Doriol, Loïc; Ryabinkin, Ilya G.; Izmaylov, Artur F.

    2013-12-21

    In molecular systems containing conical intersections (CIs), a nontrivial geometric phase (GP) appears in the nuclear and electronic wave functions in the adiabatic representation. We study GP effects in nuclear dynamics of an N-dimensional linear vibronic coupling (LVC) model. The main impact of GP on low-energy nuclear dynamics is reduction of population transfer between the local minima of the LVC lower energy surface. For the LVC model, we proposed an isometric coordinate transformation that confines non-adiabatic effects within a two-dimensional subsystem interacting with an N − 2 dimensional environment. Since environmental modes do not couple electronic states, all GP effects originate from nuclear dynamics within the subsystem. We explored when the GP affects nuclear dynamics of the isolated subsystem, and how the subsystem-environment interaction can interfere with GP effects. Comparing quantum dynamics with and without GP allowed us to devise simple rules to determine significance of the GP for nuclear dynamics in this model.

  3. Control of the spin geometric phase in semiconductor quantum rings

    NASA Astrophysics Data System (ADS)

    Nagasawa, Fumiya; Frustaglia, Diego; Saarikoski, Henri; Richter, Klaus; Nitta, Junsaku

    2013-09-01

    Since the formulation of the geometric phase by Berry, its relevance has been demonstrated in a large variety of physical systems. However, a geometric phase of the most fundamental spin-1/2 system, the electron spin, has not been observed directly and controlled independently from dynamical phases. Here we report experimental evidence on the manipulation of an electron spin through a purely geometric effect in an InGaAs-based quantum ring with Rashba spin-orbit coupling. By applying an in-plane magnetic field, a phase shift of the Aharonov-Casher interference pattern towards the small spin-orbit-coupling regions is observed. A perturbation theory for a one-dimensional Rashba ring under small in-plane fields reveals that the phase shift originates exclusively from the modulation of a pure geometric-phase component of the electron spin beyond the adiabatic limit, independently from dynamical phases. The phase shift is well reproduced by implementing two independent approaches, that is, perturbation theory and non-perturbative transport simulations.

  4. Control of the spin geometric phase in semiconductor quantum rings

    PubMed Central

    Nagasawa, Fumiya; Frustaglia, Diego; Saarikoski, Henri; Richter, Klaus; Nitta, Junsaku

    2013-01-01

    Since the formulation of the geometric phase by Berry, its relevance has been demonstrated in a large variety of physical systems. However, a geometric phase of the most fundamental spin-1/2 system, the electron spin, has not been observed directly and controlled independently from dynamical phases. Here we report experimental evidence on the manipulation of an electron spin through a purely geometric effect in an InGaAs-based quantum ring with Rashba spin-orbit coupling. By applying an in-plane magnetic field, a phase shift of the Aharonov–Casher interference pattern towards the small spin-orbit-coupling regions is observed. A perturbation theory for a one-dimensional Rashba ring under small in-plane fields reveals that the phase shift originates exclusively from the modulation of a pure geometric-phase component of the electron spin beyond the adiabatic limit, independently from dynamical phases. The phase shift is well reproduced by implementing two independent approaches, that is, perturbation theory and non-perturbative transport simulations. PMID:24067870

  5. Control of the spin geometric phase in semiconductor quantum rings.

    PubMed

    Nagasawa, Fumiya; Frustaglia, Diego; Saarikoski, Henri; Richter, Klaus; Nitta, Junsaku

    2013-01-01

    Since the formulation of the geometric phase by Berry, its relevance has been demonstrated in a large variety of physical systems. However, a geometric phase of the most fundamental spin-1/2 system, the electron spin, has not been observed directly and controlled independently from dynamical phases. Here we report experimental evidence on the manipulation of an electron spin through a purely geometric effect in an InGaAs-based quantum ring with Rashba spin-orbit coupling. By applying an in-plane magnetic field, a phase shift of the Aharonov-Casher interference pattern towards the small spin-orbit-coupling regions is observed. A perturbation theory for a one-dimensional Rashba ring under small in-plane fields reveals that the phase shift originates exclusively from the modulation of a pure geometric-phase component of the electron spin beyond the adiabatic limit, independently from dynamical phases. The phase shift is well reproduced by implementing two independent approaches, that is, perturbation theory and non-perturbative transport simulations.

  6. Optical Mode Control by Geometric Phase in Quasicrystal Metasurface

    NASA Astrophysics Data System (ADS)

    Yulevich, Igor; Maguid, Elhanan; Shitrit, Nir; Veksler, Dekel; Kleiner, Vladimir; Hasman, Erez

    2015-11-01

    We report on the observation of optical spin-controlled modes from a quasicrystalline metasurface as a result of an aperiodic geometric phase induced by anisotropic subwavelength structure. When geometric phase defects are introduced in the aperiodic structured surface, the modes exhibit polarization helicity dependence resulting in the optical spin-Hall effect. The radiative thermal dispersion bands from a quasicrystal structure are studied where the observed bands arise from the optical spin-orbit interaction induced by the aperiodic space-variant orientations of anisotropic antennas. The optical spin-flip behavior of the revealed modes that arise from the geometric phase pickup is experimentally observed within the visible spectrum by measuring the spin-projected diffraction patterns. The introduced ability to manipulate the light-matter interaction of quasicrystals in a spin-dependent manner provides the route for molding light via spin-optical aperiodic artificial planar surfaces.

  7. Geometric inequalities from phase space translations

    NASA Astrophysics Data System (ADS)

    Huber, Stefan; König, Robert; Vershynina, Anna

    2017-01-01

    We establish a quantum version of the classical isoperimetric inequality relating the Fisher information and the entropy power of a quantum state. The key tool is a Fisher information inequality for a state which results from a certain convolution operation: the latter maps a classical probability distribution on phase space and a quantum state to a quantum state. We show that this inequality also gives rise to several related inequalities whose counterparts are well-known in the classical setting: in particular, it implies an entropy power inequality for the mentioned convolution operation as well as the isoperimetric inequality and establishes concavity of the entropy power along trajectories of the quantum heat diffusion semigroup. As an application, we derive a Log-Sobolev inequality for the quantum Ornstein-Uhlenbeck semigroup and argue that it implies fast convergence towards the fixed point for a large class of initial states.

  8. Topological and geometrical aspects of phase transitions

    NASA Astrophysics Data System (ADS)

    Santos, F. A. N.; Rehn, J. A.; Coutinho-Filho, M. D.

    2014-03-01

    In the first part of this review, we use a topological approach to describe the frustration- and field-induced phase transitions exhibited by the infinite-range XY model on the AB2 chain, including noncollinear spin structures. For this purpose, we have computed the Euler characteristic, χ, as well as other topological invariants, which are found to behave similarly as a function of the energy level in the context of Morse theory. Our findings and those available in the literature suggest that the cusp-like singularity exhibited by χ at the critical energy, Ec, put together with the divergence of the density of Jacobian's critical points emerge as necessary and sufficient conditions for the occurrence of finite-temperature topology-induced phase transitions. In the second part, we present an alternative solution of the Ising chain in a field under free and periodic boundary conditions, in the microcanonical, canonical, and grand canonical ensembles, from a unified combinatorial and topological perspective. In particular, the computation of the per-site entropy as a function of the energy unveils a residual value for critical values of the magnetic field, a phenomenon for which we provide a topological interpretation and a connection with the Fibonacci sequence. We also show that, in the thermodynamic limit, the per-site microcanonical entropy is equal to the logarithm of the per-site Euler characteristic. Finally, we emphasize that our combinatorial approach to the canonical ensemble allows exact computation of the thermally averaged value <χ>(T) of the Euler characteristic; our results show that the conjecture <χ>(Tc)= 0, where Tc is the critical temperature, is valid for the Ising chain.

  9. Synthesis of general polarization transformers. A geometric phase approach

    NASA Astrophysics Data System (ADS)

    Bhandari, Rajendra

    1989-07-01

    Using a generalized form of Jordan's formulation of the geometric phase problem it is shown that a single gadget capable of realising an arbitrary element of the polarization transformation group SU (2) can be constructed using two half-wave plates and two quarter-wave plates. For special transformations, simpler, practical gadgets are proposed.

  10. Geometric phases, evolution loops and generalized oscillator potentials

    NASA Technical Reports Server (NTRS)

    Fernandez, David J.

    1995-01-01

    The geometric phases for dynamical processes where the evolution operator becomes the identity (evolution loops) are studied. The case of time-independent Hamiltonians with equally spaced energy levels is considered; special emphasis is made on the potentials having the same spectrum as the harmonic oscillator potential (the generalized oscillator potentials) and their recently found coherent states.

  11. Importance of geometric phase effects in ultracold chemistry

    DOE PAGES

    Hazra, Jisha; Kendrick, Brian K.; Balakrishnan, Naduvalath

    2015-08-28

    Here, it is demonstrated that the inclusion of the geometric phase has an important effect on ultracold chemical reaction rates. The effect appears in rotationally and vibrationally resolved integral cross sections as well as cross sections summed over all product quantum states. The effect arises from interference between scattering amplitudes of two reaction pathways: a direct path and a looping path that encircle the conical intersection between the two lowest adiabatic electronic potential energy surfaces. It is magnified when the two scattering amplitudes have comparable magnitude and they scatter into the same angular region which occurs in the isotropic scatteringmore » characteristic of the ultracold regime (s-wave scattering). Results are presented for the O + OH → H + O2 reaction for total angular momentum quantum number J = 0–5. Large geometric phase effects occur for collision energies below 0.1 K, but the effect vanishes at higher energies when contributions from different partial waves are included. It is also qualitatively demonstrated that the geometric phase effect can be modulated by applying an external electric field allowing the possibility of quantum control of chemical reactions in the ultracold regime. In this case, the geometric phase plays the role of a “quantum switch” which can turn the reaction “on” or “off”.« less

  12. Importance of geometric phase effects in ultracold chemistry

    SciTech Connect

    Hazra, Jisha; Kendrick, Brian K.; Balakrishnan, Naduvalath

    2015-08-28

    Here, it is demonstrated that the inclusion of the geometric phase has an important effect on ultracold chemical reaction rates. The effect appears in rotationally and vibrationally resolved integral cross sections as well as cross sections summed over all product quantum states. The effect arises from interference between scattering amplitudes of two reaction pathways: a direct path and a looping path that encircle the conical intersection between the two lowest adiabatic electronic potential energy surfaces. It is magnified when the two scattering amplitudes have comparable magnitude and they scatter into the same angular region which occurs in the isotropic scattering characteristic of the ultracold regime (s-wave scattering). Results are presented for the O + OH → H + O2 reaction for total angular momentum quantum number J = 0–5. Large geometric phase effects occur for collision energies below 0.1 K, but the effect vanishes at higher energies when contributions from different partial waves are included. It is also qualitatively demonstrated that the geometric phase effect can be modulated by applying an external electric field allowing the possibility of quantum control of chemical reactions in the ultracold regime. In this case, the geometric phase plays the role of a “quantum switch” which can turn the reaction “on” or “off”.

  13. Geometrical Series and Phase Space in a Finite Oscillatory Motion

    ERIC Educational Resources Information Center

    Mareco, H. R. Olmedo

    2006-01-01

    This article discusses some interesting physical properties of oscillatory motion of a particle on two joined inclined planes. The geometrical series demonstrates that the particle will oscillate during a finite time. Another detail is the converging path to the origin of the phase space. Due to its simplicity, this motion may be used as a…

  14. A mechanical device to study geometric phases and curvatures

    NASA Astrophysics Data System (ADS)

    Gil, Salvador

    2010-04-01

    A simple mechanical device is introduced that can be used to illustrate the parallel transport of a vector along a curved surface and the geometric phase shift that occurs when a vector is carried along a loop on a curved surface. Its connection with the Foucault pendulum and Berry phases is discussed. The experimental results are in close agreement with the theoretical expectations. The experiment is inexpensive and conceptually easy to understand and perform.

  15. Adiabatic and non-adiabatic charge pumping in a single-level molecular motor

    NASA Astrophysics Data System (ADS)

    Napitu, B. D.; Thijssen, J. M.

    2015-07-01

    We propose a design for realizing quantum charge pump based on a recent proposal for a molecular motor (Seldenthuis J S et al 2010 ACS Nano 4 6681). Our design is based on the presence of a moiety with a permanent dipole moment which can rotate, thereby modulating the couplings to metallic contacts at both ends of the molecule. Using the non-equilibrium Keldysh Green’s function formalism (NEGF), we show that our design indeed generates a pump current. In the non-interacting pump, the variation of frequency from adiabatic to non-adiabatic regime, can be used to control the direction as well as the amplitude of the average current. The effect of Coulomb interaction is considered within the first- and the second- order perturbation. The numerical implementation of the scheme is quite demanding, and we develop an analytical approximation to obtain a speed-up giving results within a reasonable time. We find that the amplitude of the average pumped current can be controlled by both the driving frequency and the Coulomb interaction. The direction of of pumped current is shown to be determined by the phase difference between left and right anchoring groups.

  16. Adiabatic and non-adiabatic charge pumping in a single-level molecular motor.

    PubMed

    Napitu, B D; Thijssen, J M

    2015-07-15

    We propose a design for realizing quantum charge pump based on a recent proposal for a molecular motor (Seldenthuis J S et al 2010 ACS Nano 4 6681). Our design is based on the presence of a moiety with a permanent dipole moment which can rotate, thereby modulating the couplings to metallic contacts at both ends of the molecule. Using the non-equilibrium Keldysh Green's function formalism (NEGF), we show that our design indeed generates a pump current. In the non-interacting pump, the variation of frequency from adiabatic to non-adiabatic regime, can be used to control the direction as well as the amplitude of the average current. The effect of Coulomb interaction is considered within the first- and the second- order perturbation. The numerical implementation of the scheme is quite demanding, and we develop an analytical approximation to obtain a speed-up giving results within a reasonable time. We find that the amplitude of the average pumped current can be controlled by both the driving frequency and the Coulomb interaction. The direction of of pumped current is shown to be determined by the phase difference between left and right anchoring groups.

  17. How non-adiabatic passing electron layers of linear microinstabilities affect turbulent transport

    NASA Astrophysics Data System (ADS)

    Dominski, J.; Brunner, S.; Görler, T.; Jenko, F.; Told, D.; Villard, L.

    2015-06-01

    The response of passing electrons in ion temperature gradient and trapped electron mode microturbulence regimes is investigated in tokamak geometry making use of the flux-tube version of the gyrokinetic code GENE. Results are obtained using two different electron models, fully kinetic and hybrid in which passing particles are forced to respond adiabatically, while trapped are handled kinetically. Comparing linear eigenmodes obtained with these two models enables to systematically isolate fine radial structures located at corresponding mode rational surfaces, clearly resulting from the non-adiabatic passing-electron response. Non-linear simulations show that these fine structures on the non-axisymmetric modes survive in the turbulent phase. Furthermore, through non-linear coupling to axisymmetric modes, they induce radial modulations in the effective profiles of density, ion/electron temperature, and E × B shearing rate. Finally, the passing-electron channel is shown to significantly contribute to the transport levels, at least in our ion temperature gradient case. Also shown is that the passing electrons significantly influence the E × B saturation mechanism of turbulence fluxes.

  18. Geometric framework for phase synchronization in coupled noisy nonlinear systems

    NASA Astrophysics Data System (ADS)

    Balakrishnan, J.

    2006-03-01

    A geometric approach is introduced for understanding the phenomenon of phase synchronization in coupled nonlinear systems in the presence of additive noise. We show that the emergence of cooperative behavior through a change of stability via a Hopf bifurcation entails the spontaneous appearance of a gauge structure in the system, arising from the evolution of the slow dynamics, but induced by the fast variables. The conditions for the oscillators to be synchronised in phase are obtained. The role of weak noise appears to be to drive the system towards a more synchronized behavior. Our analysis provides a framework to explain recent experimental observations on noise-induced phase synchronization in coupled nonlinear systems.

  19. Geometrical Model of the Tetragonal BPX Blue Phase

    NASA Astrophysics Data System (ADS)

    Pansu, B.

    1995-04-01

    Crystals of BP1 and BP2 blue phases exhibit different crystalline structures under sufficiently high electric field. When the dielectric anisotropy is positive, the same tetragonal phase, called BPX, has been observed when the field is applied, either along a two-fold axis of the BP1 phase, or along a four-fold axis of the BP2 phase. With the help of the geometrical models of cubic blue phases deduced from the analogy with the cubic lyotropic phases, we propose in this paper a geometrical model of the BPX phase and a mechanism for the transformations of BP1 and BP2 into BPX. L'application d'un champ électrique suffisamment intense sur des monocristaux de phases bleues BP1 et BP2 provoque l'apparition de nouvelles structures cristallines. Notamment, une même phase BPX à symétrie tétragonale a été observée quand le champ est dirigé suivant un axe d'ordre 2 de la BP1 ou un axe d'ordre 4 de la BP2, ceci quand l'anisotropie diélectrique est positive. A partir de modèles géométriques des phases bleues basés sur l'analogie avec les phases cubiques lyotropes, nous proposons un modèle géométrique de la phase BPX et un mécanisme de transformation des phases bleues BP1 et BP2 en BPX.

  20. Geometric quantum phase in the spacetime of topological defects

    NASA Astrophysics Data System (ADS)

    Bakke, K.; Furtado, C.; Nascimento, J. R.

    2011-07-01

    In this contribution, we study the quantum dynamics of a neutral particle in the presence of a topological defect. We investigate the appearance of a geometric phase in the relativistic quantum dynamics of a neutral particle which possesses permanent magnetic and electric dipole moments in the presence of an electromagnetic field in this curved background. We also study the influence of noninertial effects of a rotating frame and and obtain several contributions to the relativistic geometric phase due to the noninertial effects and the topology of spacetime. The analogous Aharonov-Casher and He-Mckellar-Wilkens effects are investigated in the nonrelativistic dynamics with the presence of a topological defect and under the influence of noninertial effects. We also obtain effects analogous to the Sagnac effect and Mashhoon effect due to the presence of the topological defect.

  1. Non-adiabatic holonomic quantum computation in linear system-bath coupling

    PubMed Central

    Sun, Chunfang; Wang, Gangcheng; Wu, Chunfeng; Liu, Haodi; Feng, Xun-Li; Chen, Jing-Ling; Xue, Kang

    2016-01-01

    Non-adiabatic holonomic quantum computation in decoherence-free subspaces protects quantum information from control imprecisions and decoherence. For the non-collective decoherence that each qubit has its own bath, we show the implementations of two non-commutable holonomic single-qubit gates and one holonomic nontrivial two-qubit gate that compose a universal set of non-adiabatic holonomic quantum gates in decoherence-free-subspaces of the decoupling group, with an encoding rate of . The proposed scheme is robust against control imprecisions and the non-collective decoherence, and its non-adiabatic property ensures less operation time. We demonstrate that our proposed scheme can be realized by utilizing only two-qubit interactions rather than many-qubit interactions. Our results reduce the complexity of practical implementation of holonomic quantum computation in experiments. We also discuss the physical implementation of our scheme in coupled microcavities. PMID:26846444

  2. Geometric Phase Of The Faraday Rotation Of Electromagnetic Waves In Magnetized Plasma

    SciTech Connect

    Jian Liu and Hong Qin

    2011-11-07

    The geometric phase of circularly polarized electromagnetic waves in nonuniform magnetized plasmas is studied theoretically. The variation of the propagation direction of circularly polarized waves results in a geometric phase, which also contributes to the Faraday rotation, in addition to the standard dynamical phase. The origin and properties of the geometric phase is investigated. The in uence of the geometric phase to plasma diagnostics using Faraday rotation is also discussed as an application of the theory.

  3. Non Abelian structures and the geometric phase of entangled qudits

    SciTech Connect

    Oxman, L.E. Khoury, A.Z.

    2014-12-15

    In this work, we address some important topological and algebraic aspects of two-qudit states evolving under local unitary operations. The projective invariant subspaces and evolutions are connected with the common elements characterizing the su(d) Lie algebra and their representations. In particular, the roots and weights turn out to be natural quantities to parametrize cyclic evolutions and fractional phases. This framework is then used to recast the coset contribution to the geometric phase in a form that generalizes the usual monopole-like formula for a single qubit.

  4. Geometrical modeling of optical phase difference for analyzing atmospheric turbulence

    NASA Astrophysics Data System (ADS)

    Yuksel, Demet; Yuksel, Heba

    2013-09-01

    Ways of calculating phase shifts between laser beams propagating through atmospheric turbulence can give us insight towards the understanding of spatial diversity in Free-Space Optical (FSO) links. We propose a new geometrical model to estimate phase shifts between rays as the laser beam propagates through a simulated turbulent media. Turbulence is simulated by filling the propagation path with spherical bubbles of varying sizes and refractive index discontinuities statistically distributed according to various models. The level of turbulence is increased by elongating the range and/or increasing the number of bubbles that the rays interact with along their path. For each statistical representation of the atmosphere, the trajectories of two parallel rays separated by a particular distance are analyzed and computed simultaneously using geometrical optics. The three-dimensional geometry of the spheres is taken into account in the propagation of the rays. The bubble model is used to calculate the correlation between the two rays as their separation distance changes. The total distance traveled by each ray as both rays travel to the target is computed. The difference in the path length traveled will yield the phase difference between the rays. The mean square phase difference is taken to be the phase structure function which in the literature, for a pair of collimated parallel pencil thin rays, obeys a five-third law assuming weak turbulence. All simulation results will be compared with the predictions of wave theory.

  5. Analyser-based phase contrast image reconstruction using geometrical optics.

    PubMed

    Kitchen, M J; Pavlov, K M; Siu, K K W; Menk, R H; Tromba, G; Lewis, R A

    2007-07-21

    Analyser-based phase contrast imaging can provide radiographs of exceptional contrast at high resolution (<100 microm), whilst quantitative phase and attenuation information can be extracted using just two images when the approximations of geometrical optics are satisfied. Analytical phase retrieval can be performed by fitting the analyser rocking curve with a symmetric Pearson type VII function. The Pearson VII function provided at least a 10% better fit to experimentally measured rocking curves than linear or Gaussian functions. A test phantom, a hollow nylon cylinder, was imaged at 20 keV using a Si(1 1 1) analyser at the ELETTRA synchrotron radiation facility. Our phase retrieval method yielded a more accurate object reconstruction than methods based on a linear fit to the rocking curve. Where reconstructions failed to map expected values, calculations of the Takagi number permitted distinction between the violation of the geometrical optics conditions and the failure of curve fitting procedures. The need for synchronized object/detector translation stages was removed by using a large, divergent beam and imaging the object in segments. Our image acquisition and reconstruction procedure enables quantitative phase retrieval for systems with a divergent source and accounts for imperfections in the analyser.

  6. A photometric mode identification method, including an improved non-adiabatic treatment of the atmosphere

    NASA Astrophysics Data System (ADS)

    Dupret, M.-A.; De Ridder, J.; De Cat, P.; Aerts, C.; Scuflaire, R.; Noels, A.; Thoul, A.

    2003-02-01

    We present an improved version of the method of photometric mode identification of Heynderickx et al. (\\cite{hey}). Our new version is based on the inclusion of precise non-adiabatic eigenfunctions determined in the outer stellar atmosphere according to the formalism recently proposed by Dupret et al. (\\cite{dup}). Our improved photometric mode identification technique is therefore no longer dependent on ad hoc parameters for the non-adiabatic effects. It contains the complete physical conditions of the outer atmosphere of the star, provided that rotation does not play a key role. We apply our method to the two slowly pulsating B stars HD 74560 and HD 138764 and to the beta Cephei star EN (16) Lac. Besides identifying the degree l of the pulsating stars, our method is also a tool for improving the knowledge of stellar interiors and atmospheres, by imposing constraints on parameters such as the metallicity and the mixing-length parameter alpha (a procedure we label non-adiabatic asteroseismology). The non-adiabatic eigenfunctions needed for the mode identification are available upon request from the authors.

  7. Non-adiabatic pumping in an oscillating-piston model

    NASA Astrophysics Data System (ADS)

    Chuchem, Maya; Dittrich, Thomas; Cohen, Doron

    2012-05-01

    We consider the prototypical "piston pump" operating on a ring, where a circulating current is induced by means of an AC driving. This can be regarded as a generalized Fermi-Ulam model, incorporating a finite-height moving wall (piston) and non-trivial topology (ring). The amount of particles transported per cycle is determined by a layered structure of phase space. Each layer is characterized by a different drift velocity. We discuss the differences compared with the adiabatic and Boltzmann pictures, and highlight the significance of the "diabatic" contribution that might lead to a counter-stirring effect.

  8. Geometric phase and gauge connection in polyatomic molecules.

    PubMed

    Wittig, Curt

    2012-05-14

    Geometric phase is an interesting topic that is germane to numerous and varied research areas: molecules, optics, quantum computing, quantum Hall effect, graphene, and so on. It exists only when the system of interest interacts with something it perceives as exterior. An isolated system cannot display geometric phase. This article addresses geometric phase in polyatomic molecules from a gauge field theory perspective. Gauge field theory was introduced in electrodynamics by Fock and examined assiduously by Weyl. It yields the gauge field A(μ), particle-field couplings, and the Aharonov-Bohm phase, while Yang-Mills theory, the cornerstone of the standard model of physics, is a template for non-Abelian gauge symmetries. Electronic structure theory, including nonadiabaticity, is a non-Abelian gauge field theory with matrix-valued covariant derivative. Because the wave function of an isolated molecule must be single-valued, its global U(1) symmetry cannot be gauged, i.e., products of nuclear and electron functions such as χ(n)ψ(n) are forbidden from undergoing local phase transformation on R, where R denotes nuclear degrees of freedom. On the other hand, the synchronous transformations (first noted by Mead and Truhlar): ψ(n)→ψ(n)e(iζ) and simultaneously χ(n)→χ(n)e(-iζ), preserve single-valuedness and enable wave functions in each subspace to undergo phase transformation on R. Thus, each subspace is compatible with a U(1) gauge field theory. The central mathematical object is Berry's adiabatic connection i, which serves as a communication link between the two subsystems. It is shown that additions to the connection according to the gauge principle are, in fact, manifestations of the synchronous (e(iζ)/e(-iζ)) nature of the ψ(n) and χ(n) phase transformations. Two important U(1) connections are reviewed: qA(μ) from electrodynamics and Berry's connection. The gauging of SU(2) and SU(3) is reviewed and then used with molecules. The largest gauge

  9. Geometric phase gates based on stimulated Raman adiabatic passage in tripod systems

    SciTech Connect

    Moeller, Ditte; Madsen, Lars Bojer; Moelmer, Klaus

    2007-06-15

    We consider stimulated Raman adiabatic passage (STIRAP) processes in tripod systems and show how to generate purely geometric phase changes of the quantum states involved. The geometric phases are controlled by three laser fields where pulse shapes, relative field strength, and phases can be controlled. We present a robust set of universal gates for quantum computing based on these geometric phases: a one-qubit phase gate, a Hadamard gate, and a two-qubit phase gate.

  10. Semiclassical modelling of finite-pulse effects on non-adiabatic photodynamics via initial condition filtering: The predissociation of NaI as a test case

    NASA Astrophysics Data System (ADS)

    Martínez-Mesa, Aliezer; Saalfrank, Peter

    2015-05-01

    Femtosecond-laser pulse driven non-adiabatic spectroscopy and dynamics in molecular and condensed phase systems continue to be a challenge for theoretical modelling. One of the main obstacles is the "curse of dimensionality" encountered in non-adiabatic, exact wavepacket propagation. A possible route towards treating complex molecular systems is via semiclassical surface-hopping schemes, in particular if they account not only for non-adiabatic post-excitation dynamics but also for the initial optical excitation. One such approach, based on initial condition filtering, will be put forward in what follows. As a simple test case which can be compared with exact wavepacket dynamics, we investigate the influence of the different parameters determining the shape of a laser pulse (e.g., its finite width and a possible chirp) on the predissociation dynamics of a NaI molecule, upon photoexcitation of the A(0+) state. The finite-pulse effects are mapped into the initial conditions for semiclassical surface-hopping simulations. The simulated surface-hopping diabatic populations are in qualitative agreement with the quantum mechanical results, especially concerning the subpicosend photoinduced dynamics, the main deviations being the relative delay of the non-adiabatic transitions in the semiclassical picture. Likewise, these differences in the time-dependent electronic populations calculated via the semiclassical and the quantum methods are found to have a mild influence on the overall probability density distribution. As a result, the branching ratios between the bound and the dissociative reaction channels and the time-evolution of the molecular wavepacket predicted by the semiclassical method agree with those computed using quantum wavepacket propagation. Implications for more challenging molecular systems are given.

  11. Semiclassical modelling of finite-pulse effects on non-adiabatic photodynamics via initial condition filtering: The predissociation of NaI as a test case

    SciTech Connect

    Martínez-Mesa, Aliezer; Saalfrank, Peter

    2015-05-21

    Femtosecond-laser pulse driven non-adiabatic spectroscopy and dynamics in molecular and condensed phase systems continue to be a challenge for theoretical modelling. One of the main obstacles is the “curse of dimensionality” encountered in non-adiabatic, exact wavepacket propagation. A possible route towards treating complex molecular systems is via semiclassical surface-hopping schemes, in particular if they account not only for non-adiabatic post-excitation dynamics but also for the initial optical excitation. One such approach, based on initial condition filtering, will be put forward in what follows. As a simple test case which can be compared with exact wavepacket dynamics, we investigate the influence of the different parameters determining the shape of a laser pulse (e.g., its finite width and a possible chirp) on the predissociation dynamics of a NaI molecule, upon photoexcitation of the A(0{sup +}) state. The finite-pulse effects are mapped into the initial conditions for semiclassical surface-hopping simulations. The simulated surface-hopping diabatic populations are in qualitative agreement with the quantum mechanical results, especially concerning the subpicosend photoinduced dynamics, the main deviations being the relative delay of the non-adiabatic transitions in the semiclassical picture. Likewise, these differences in the time-dependent electronic populations calculated via the semiclassical and the quantum methods are found to have a mild influence on the overall probability density distribution. As a result, the branching ratios between the bound and the dissociative reaction channels and the time-evolution of the molecular wavepacket predicted by the semiclassical method agree with those computed using quantum wavepacket propagation. Implications for more challenging molecular systems are given.

  12. Geometric phase effects in ultracold hydrogen exchange reaction

    SciTech Connect

    Hazra, Jisha; Kendrick, Brian K.; Balakrishnan, Naduvalath

    2016-10-14

    The role of the geometric phase effect on chemical reaction dynamics is explored by examining the hydrogen exchange process in the fundamental H+HD reaction. Results are presented for vibrationally excited HD molecules in the v = 4 vibrational level and for collision energies ranging from 1 μK to 100 K. It is found that, for collision energies below 3 K, inclusion of the geometric phase leads to dramatic enhancement or suppression of the reaction rates depending on the final quantum state of the HD molecule. The effect was found to be the most prominent for rotationally resolved integral and differential cross sections but it persists to a lesser extent in the vibrationally resolved and total reaction rate coefficients. However, no significant GP effect is present in the reactive channel leading to the D+H2 product or in the D+H2 $(v=4,j=0)\\,\\to $ HD+H reaction. A simple interference mechanism involving inelastic (nonreactive) and exchange scattering amplitudes is invoked to account for the observed GP effects. The computed results also reveal a shape resonance in the H+HD reaction near 1 K and the GP effect is found to influence the magnitude of the resonant part of the cross section. In conclusion, experimental detection of the resonance may allow a sensitive probe of the GP effect in the H+HD reaction.

  13. Geometric phase effects in ultracold hydrogen exchange reaction

    DOE PAGES

    Hazra, Jisha; Kendrick, Brian K.; Balakrishnan, Naduvalath

    2016-10-14

    The role of the geometric phase effect on chemical reaction dynamics is explored by examining the hydrogen exchange process in the fundamental H+HD reaction. Results are presented for vibrationally excited HD molecules in the v = 4 vibrational level and for collision energies ranging from 1 μK to 100 K. It is found that, for collision energies below 3 K, inclusion of the geometric phase leads to dramatic enhancement or suppression of the reaction rates depending on the final quantum state of the HD molecule. The effect was found to be the most prominent for rotationally resolved integral and differential cross sections but it persists to a lesser extent in the vibrationally resolved and total reaction rate coefficients. However, no significant GP effect is present in the reactive channel leading to the D+H2 product or in the D+H2more » $$(v=4,j=0)\\,\\to $$ HD+H reaction. A simple interference mechanism involving inelastic (nonreactive) and exchange scattering amplitudes is invoked to account for the observed GP effects. The computed results also reveal a shape resonance in the H+HD reaction near 1 K and the GP effect is found to influence the magnitude of the resonant part of the cross section. In conclusion, experimental detection of the resonance may allow a sensitive probe of the GP effect in the H+HD reaction.« less

  14. Geometric phase effects in ultracold hydrogen exchange reaction

    NASA Astrophysics Data System (ADS)

    Hazra, Jisha; Kendrick, Brian K.; Balakrishnan, N.

    2016-10-01

    The role of the geometric phase effect on chemical reaction dynamics is explored by examining the hydrogen exchange process in the fundamental H+HD reaction. Results are presented for vibrationally excited HD molecules in the v = 4 vibrational level and for collision energies ranging from 1 μK to 100 K. It is found that, for collision energies below 3 K, inclusion of the geometric phase leads to dramatic enhancement or suppression of the reaction rates depending on the final quantum state of the HD molecule. The effect was found to be the most prominent for rotationally resolved integral and differential cross sections but it persists to a lesser extent in the vibrationally resolved and total reaction rate coefficients. However, no significant GP effect is present in the reactive channel leading to the D+H2 product or in the D+H2 (v=4,j=0) \\to HD+H reaction. A simple interference mechanism involving inelastic (nonreactive) and exchange scattering amplitudes is invoked to account for the observed GP effects. The computed results also reveal a shape resonance in the H+HD reaction near 1 K and the GP effect is found to influence the magnitude of the resonant part of the cross section. Experimental detection of the resonance may allow a sensitive probe of the GP effect in the H+HD reaction.

  15. A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling

    NASA Astrophysics Data System (ADS)

    Cotton, Stephen J.; Miller, William H.

    2016-10-01

    Previous work has shown how a symmetrical quasi-classical (SQC) windowing procedure can be used to quantize the initial and final electronic degrees of freedom in the Meyer-Miller (MM) classical vibronic (i.e, nuclear + electronic) Hamiltonian, and that the approach provides a very good description of electronically non-adiabatic processes within a standard classical molecular dynamics framework for a number of benchmark problems. This paper explores application of the SQC/MM approach to the case of very weak non-adiabatic coupling between the electronic states, showing (as anticipated) how the standard SQC/MM approach used to date fails in this limit, and then devises a new SQC windowing scheme to deal with it. Application of this new SQC model to a variety of realistic benchmark systems shows that the new model not only treats the weak coupling case extremely well, but it is also seen to describe the "normal" regime (of electronic transition probabilities ≳ 0.1) even more accurately than the previous "standard" model.

  16. Quantum and classical non-adiabatic dynamics of Li_{2}^{+}Ne photodissociation

    NASA Astrophysics Data System (ADS)

    Pouilly, Brigitte; Monnerville, Maurice; Zanuttini, David; Gervais, Benoît

    2015-01-01

    The 3D photodissociation dynamics of Li2+Ne system is investigated by quantum calculations using the multi-configuration time-dependent Hartree (MCTDH) method and by classical simulations with the trajectory surface hopping (TSH) approach. Six electronic states of A’ symmetry and two states of A” symmetry are involved in the process. Couplings in the excitation region and two conical intersections in the vicinity of the Franck-Condon zone control the non-adiabatic nuclear dynamics. A diabatic representation including all the states and the couplings is determined. Diabatic and adiabatic populations calculated for initial excitation to pure diabatic and adiabatic states lead to a clear understanding of the mechanisms governing the non-adiabatic photodissociation process. The classical and quantum photodissociation cross-sections for absorption in two adiabatic states of the A’ symmetry are calculated. A remarkable agreement between quantum and classical results is obtained regarding the populations and the absorption cross-sections.

  17. Ultrafast hydrogen migration in acetylene cation driven by non-adiabatic effects.

    PubMed

    Madjet, Mohamed El-Amine; Li, Zheng; Vendrell, Oriol

    2013-03-07

    Non-adiabatic dynamics of the acetylene cation is investigated using mixed quantum-classical dynamics based on trajectory surface hopping. To describe the non-adiabatic effects, two surface hopping methods are used, namely, Tully's fewest switches and Landau-Zener surface hopping. Similarities and differences between the results based on those two methods are discussed. We find that the photoionization of acetylene into the first excited state A(2)Σg(+) drives the molecule from the linear structure to a trans-bent structure. Through a conical intersection the acetylene cation can relax back to either the ground state of acetylene or vinylidene. We conclude that hydrogen migration always takes place after non-radiative electronic relaxation to the ground state of the monocation. Based on the analysis of correlation functions we identify coherent oscillations between acetylene and vinylidene with a period of about 70 fs after the electronic relaxation.

  18. Non-adiabatic molecular dynamics with complex quantum trajectories. I. The diabatic representation.

    PubMed

    Zamstein, Noa; Tannor, David J

    2012-12-14

    We extend a recently developed quantum trajectory method [Y. Goldfarb, I. Degani, and D. J. Tannor, J. Chem. Phys. 125, 231103 (2006)] to treat non-adiabatic transitions. Each trajectory evolves on a single surface according to Newton's laws with complex positions and momenta. The transfer of amplitude between surfaces stems naturally from the equations of motion, without the need for surface hopping. In this paper we derive the equations of motion and show results in the diabatic representation, which is rarely used in trajectory methods for calculating non-adiabatic dynamics. We apply our method to the first two benchmark models introduced by Tully [J. Chem. Phys. 93, 1061 (1990)]. Besides giving the probability branching ratios between the surfaces, the method also allows the reconstruction of the time-dependent wavepacket. Our results are in quantitative agreement with converged quantum mechanical calculations.

  19. Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules

    PubMed Central

    Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry

    2013-01-01

    Modelling of non-adiabatic dynamics in extended molecular systems and solids is a next frontier of atomistic electronic structure theory. The underlying numerical algorithms should operate only with a few quantities (that can be efficiently obtained from quantum chemistry), provide a controlled approximation (which can be systematically improved) and capture important phenomena such as branching (multiple products), detailed balance and evolution of electronic coherences. Here we propose a new algorithm based on Monte-Carlo sampling of classical trajectories, which satisfies the above requirements and provides a general framework for existing surface hopping methods for non-adiabatic dynamics simulations. In particular, our algorithm can be viewed as a post-processing technique for analysing numerical results obtained from the conventional surface hopping approaches. Presented numerical tests for several model problems demonstrate efficiency and accuracy of the new method. PMID:23864100

  20. Non-adiabatic dynamics close to conical intersections and the surface hopping perspective.

    PubMed

    Malhado, João Pedro; Bearpark, Michael J; Hynes, James T

    2014-01-01

    Conical intersections play a major role in the current understanding of electronic de-excitation in polyatomic molecules, and thus in the description of photochemistry and photophysics of molecular systems. This article reviews aspects of the basic theory underlying the description of non-adiabatic transitions at conical intersections, with particular emphasis on the important case when the dynamics of the nuclei are treated classically. Within this classical nuclear motion framework, the main aspects of the surface hopping methodology in the conical intersection context are presented. The emerging picture from this treatment is that of electronic transitions around conical intersections dominated by the interplay of the nuclear velocity and the derivative non-adiabatic coupling vector field.

  1. Non-adiabatic dynamics close to conical intersections and the surface hopping perspective

    PubMed Central

    Malhado, João Pedro; Bearpark, Michael J.; Hynes, James T.

    2014-01-01

    Conical intersections play a major role in the current understanding of electronic de-excitation in polyatomic molecules, and thus in the description of photochemistry and photophysics of molecular systems. This article reviews aspects of the basic theory underlying the description of non-adiabatic transitions at conical intersections, with particular emphasis on the important case when the dynamics of the nuclei are treated classically. Within this classical nuclear motion framework, the main aspects of the surface hopping methodology in the conical intersection context are presented. The emerging picture from this treatment is that of electronic transitions around conical intersections dominated by the interplay of the nuclear velocity and the derivative non-adiabatic coupling vector field. PMID:25485263

  2. Inchworm Monte Carlo for exact non-adiabatic dynamics. II. Benchmarks and comparison with established methods

    NASA Astrophysics Data System (ADS)

    Chen, Hsing-Ta; Cohen, Guy; Reichman, David R.

    2017-02-01

    In this second paper of a two part series, we present extensive benchmark results for two different inchworm Monte Carlo expansions for the spin-boson model. Our results are compared to previously developed numerically exact approaches for this problem. A detailed discussion of convergence and error propagation is presented. Our results and analysis allow for an understanding of the benefits and drawbacks of inchworm Monte Carlo compared to other approaches for exact real-time non-adiabatic quantum dynamics.

  3. Analysis of magnetically immersed electron guns with non-adiabatic fields

    SciTech Connect

    Pikin, Alexander; Alessi, James G.; Beebe, Edward N.; Raparia, Deepak; Ritter, John

    2016-11-08

    Electron diode guns, which have strongly varying magnetic or electric fields in a cathode-anode gap, were investigated in order to generate laminar electron beams with high current density using magnetically immersed guns. By creating a strongly varying radial electric field in a cathode-anode gap of the electron gun, it was demonstrated that the optical properties of the gun can be significantly altered, which allows the generation of a laminar, high-current electron beam with relatively low magnetic field on the cathode. The relatively high magnetic compression of the electron beam achieved by this method is important for producing electron beams with high current density. A similar result can be obtained by inducing a strong variation of the magnetic field in a cathode-anode gap. It was observed that creating a dip in the axial magnetic field in the cathode-anode gap of an adiabatic electron gun has an optical effect similar to guns with strong variation of radial electric field. By analyzing the electron trajectories angles and presenting the results in a gun performance map different geometries of magnetically immersed electron guns with non-adiabatic fields are compared with each other and with a more traditional adiabatic electron gun. Some advantages and limitations of guns with non-adiabatic fields are outlined. In conclusion, the tests results of non-adiabatic electron gun with modified magnetic field are presented.

  4. Analysis of magnetically immersed electron guns with non-adiabatic fields

    DOE PAGES

    Pikin, Alexander; Alessi, James G.; Beebe, Edward N.; ...

    2016-11-08

    Electron diode guns, which have strongly varying magnetic or electric fields in a cathode-anode gap, were investigated in order to generate laminar electron beams with high current density using magnetically immersed guns. By creating a strongly varying radial electric field in a cathode-anode gap of the electron gun, it was demonstrated that the optical properties of the gun can be significantly altered, which allows the generation of a laminar, high-current electron beam with relatively low magnetic field on the cathode. The relatively high magnetic compression of the electron beam achieved by this method is important for producing electron beams withmore » high current density. A similar result can be obtained by inducing a strong variation of the magnetic field in a cathode-anode gap. It was observed that creating a dip in the axial magnetic field in the cathode-anode gap of an adiabatic electron gun has an optical effect similar to guns with strong variation of radial electric field. By analyzing the electron trajectories angles and presenting the results in a gun performance map different geometries of magnetically immersed electron guns with non-adiabatic fields are compared with each other and with a more traditional adiabatic electron gun. Some advantages and limitations of guns with non-adiabatic fields are outlined. In conclusion, the tests results of non-adiabatic electron gun with modified magnetic field are presented.« less

  5. Analysis of magnetically immersed electron guns with non-adiabatic fields

    NASA Astrophysics Data System (ADS)

    Pikin, Alexander; Alessi, James G.; Beebe, Edward N.; Raparia, Deepak; Ritter, John

    2016-11-01

    Electron diode guns, which have strongly varying magnetic or electric fields in a cathode-anode gap, were investigated in order to generate laminar electron beams with high current density using magnetically immersed guns. By creating a strongly varying radial electric field in a cathode-anode gap of the electron gun, it was demonstrated that the optical properties of the gun can be significantly altered, which allows the generation of a laminar, high-current electron beam with relatively low magnetic field on the cathode. The relatively high magnetic compression of the electron beam achieved by this method is important for producing electron beams with high current density. A similar result can be obtained by inducing a strong variation of the magnetic field in a cathode-anode gap. It was observed that creating a dip in the axial magnetic field in the cathode-anode gap of an adiabatic electron gun has an optical effect similar to guns with strong variation of radial electric field. By analyzing the electron trajectories angles and presenting the results in a gun performance map, different geometries of magnetically immersed electron guns with non-adiabatic fields are compared with each other and with a more traditional adiabatic electron gun. Some advantages and limitations of guns with non-adiabatic fields are outlined. The tests' results of a non-adiabatic electron gun with modified magnetic field are presented.

  6. Criterion for the dynamical stability of a non-adiabatic spherical self-gravitating body

    NASA Astrophysics Data System (ADS)

    Stothers, Richard B.

    1999-04-01

    Why do stars and planets maintain their dynamical stability over cosmically long periods of time? The standard answer is that the first generalized adiabatic exponent of their material, Gamma_1, exceeds the value 4/3. Yet it has never been rigorously demonstrated (except for the simple one-zone model) that non-adiabatic effects do not modify this result at some level. Many authors, in fact, have suggested the probable need for a non-adiabatic correction to the square of the radial adiabatic eigenfrequency, sigma^2, which ostensibly governs dynamical stability in the more general case where Gamma_1 varies throughout a fully distributed self-gravitating spherical body. Here, a carefully controlled series of numerical experiments based on linear and non-linear hydrodynamical models of highly non-adiabatic spherically symmetric stellar envelopes (mimicking the envelopes of luminous blue variables) confirms, quite generally, that the purely adiabatic criterion sigma^2>0 does in fact determine dynamical stability. An accurate approximation to this criterion is further shown to be that the volumetric pressure-weighted average of Gamma_1 must exceed 4/3. These results, which concern only radial stability, verify the theoretical basis of the more sophisticated models for luminous blue variables that were constructed by the author and C.-w. Chin, but they do not support the objections to these models raised by W. Glatzel and M. Kiriakidis.

  7. Numerical simulations of solar spicules: Adiabatic and non-adiabatic studies

    NASA Astrophysics Data System (ADS)

    Kuźma, B.; Murawski, K.; Zaqarashvili, T. V.; Konkol, P.; Mignone, A.

    2017-01-01

    Aims: We aim to study the formation and evolution of solar spicules using numerical simulations of a vertical velocity pulse that is launched from the upper chromosphere. Methods: With the use of the PLUTO code, we numerically solved adiabatic and non-adiabatic magnetohydrodynamic (MHD) equations in 2D cylindrical geometry. We followed the evolution of spicules triggered by pulses that are launched in a vertical velocity component from the upper chromosphere. Then we compared the results obtained with and without non-adiabatic terms in the MHD equations. Results: Our numerical results reveal that the velocity pulse is steepened into a shock that propagates upward into the corona. The chromospheric cold and dense plasma follows the shock and rises into the corona with the mean speed of 20-25 km s-1. The nonlinear wake behind the pulse in the stratified atmosphere leads to quasi-periodic rebound shocks, which lead to quasi-periodic rising of chromospheric plasma into the corona with a period close to the acoustic cut-off period of the chromosphere. We found that the effect of non-adiabatic terms on spicule evolution is minor; the general properties of spicules such as their heights and rising-time remain slightly affected by these terms. Conclusions: In the framework of the axisymmetric model we devised, we show that the solar spicules can be triggered by the vertical velocity pulses, and thermal conduction and radiative cooling terms do not exert any significant influence on the dynamics of these spicules.

  8. Geometric phase of an atomic qubit coupled to a Lorentzian reservoir

    NASA Astrophysics Data System (ADS)

    Chen, Ming-Feng; Chen, Rong-Xin; Yang, Zhen-Biao

    2017-03-01

    We calculate the geometric phase for an atomic qubit coupled to a zero-temperature bosonic reservoir with a Lorentzian spectral density. The geometric phase is obtained without tracing out the degrees of freedom of the reservoir. It is shown that the phase accumulated by the total system is purely geometric and exhibits an oscillation behaviour in both the Markovian and non-Markovian regimes.

  9. Geometrical clusterization and deconfinement phase transition in SU(2) gluodynamics

    NASA Astrophysics Data System (ADS)

    Ivanytskyi, A.; Bugaev, K.; Nikonov, E.; Ilgenfritz, E.-M.; Oliinychenko, D.; Sagun, V.; Mishustin, I.; Zinovjev, G.; Petrov, V.

    2017-03-01

    A novel approach to identify the geometrical (anti)clusters formed by the Polyakov loops of the same sign and to study their properties in the lattice SU(2) gluodynamics is developed. The (anti)cluster size distributions are analyzed for the lattice coupling constant β ∈ 2 [2:3115; 3]. The found distributions are similar to the ones existing in 2- and 3-dimensional Ising systems. Using the suggested approach, we explain the phase transition in SU(2) gluodynamics at β = 2.52 as a transition between two liquids during which one of the liquid droplets (the largest cluster of a certain Polyakov loop sign) experiences a condensation, while another droplet (the next to the largest cluster of opposite Polyakov loop sign) evaporates. The clusters of smaller sizes form two accompanying gases, which behave oppositely to their liquids. The liquid drop formula is used to analyze the distributions of the gas (anti)clusters and to determine their bulk, surface and topological parts of free energy. Surprisingly, even the monomer multiplicities are reproduced with high quality within such an approach. The behavior of surface tension of gaseous (anti)clusters is studied. It is shown that this quantity can serve as an order parameter of the deconfinement phase transition in SU(2) gluodynamics. Moreover, the critical exponent β of surface tension coefficient of gaseous clusters is found in the upper vicinity of critical temperature. Its value coincides with the one found for 3-dimensional Ising model within error bars. The Fisher topological exponent τ of (anti)clusters is found to have the same value 1:806±0:008, which agrees with an exactly solvable model of the nuclear liquid-gas phase transition and disagrees with the Fisher droplet model, which may evidence for the fact that the SU(2) gluodynamics and the model are in the same universality class.

  10. Geometric phase of mixed states for three-level open systems

    SciTech Connect

    Jiang Yanyan; Ji, Y. H.; Wang, Z. S.; Xu Hualan; Hu Liyun; Chen, Z. Q.; Guo, L. P.

    2010-12-15

    Geometric phase of mixed state for three-level open system is defined by establishing in connecting density matrix with nonunit vector ray in a three-dimensional complex Hilbert space. Because the geometric phase depends only on the smooth curve on this space, it is formulated entirely in terms of geometric structures. Under the limiting of pure state, our approach is in agreement with the Berry phase, Pantcharatnam phase, and Aharonov and Anandan phase. We find that, furthermore, the Berry phase of mixed state correlated to population inversions of three-level open system.

  11. Geometric phase of mixed states for three-level open systems

    NASA Astrophysics Data System (ADS)

    Jiang, Yanyan; Ji, Y. H.; Xu, Hualan; Hu, Li-Yun; Wang, Z. S.; Chen, Z. Q.; Guo, L. P.

    2010-12-01

    Geometric phase of mixed state for three-level open system is defined by establishing in connecting density matrix with nonunit vector ray in a three-dimensional complex Hilbert space. Because the geometric phase depends only on the smooth curve on this space, it is formulated entirely in terms of geometric structures. Under the limiting of pure state, our approach is in agreement with the Berry phase, Pantcharatnam phase, and Aharonov and Anandan phase. We find that, furthermore, the Berry phase of mixed state correlated to population inversions of three-level open system.

  12. Geometric phase effects in the ultracold H + H2 reaction

    NASA Astrophysics Data System (ADS)

    Kendrick, B. K.; Hazra, Jisha; Balakrishnan, N.

    2016-10-01

    The H3 system has served as a prototype for geometric phase (GP) effects in bimolecular chemical reactions for over three decades. Despite a large number of theoretical and experimental efforts, no conclusive evidence of GP effects in the integral cross section or reaction rate has been presented until recently [B. Kendrick et al., Phys. Rev. Lett. 115, 153201 (2015)]. Here we report a more detailed account of GP effects in the H + H2(v = 4, j = 0) → H + H2(v', j') (para-para) reaction rate coefficients for temperatures between 1 μK (8.6 × 10-11 eV) and 100 K (8.6 × 10-3 eV). The GP effect is found to persist in both vibrationally resolved and total rate coefficients for collision energies up to about 10 K. The GP effect also appears in rotationally resolved differential cross sections leading to a very different oscillatory structure in both energy and scattering angle. It is shown to suppress a prominent shape resonance near 1 K and enhance a shape resonance near 8 K, providing new experimentally verifiable signatures of the GP effect in the fundamental hydrogen exchange reaction. The GP effect in the D + D2 and T + T2 reactions is also examined in the ultracold limit and its sensitivity to the potential energy surface is explored.

  13. Geometric phase of a qubit driven by a phase noise laser under non-Markovian dynamics

    SciTech Connect

    Berrada, K.

    2014-01-15

    Robustness of the geometric phase (GP) with respect to the environmental effects is a basic condition for an effective quantum computation. Here, we study quantitatively the GP of a two-level atom system driven by a phase noise laser under non-Markovian dynamics in terms of different parameters involved in the whole system. We find that with the change of the damping coupling, the GP is very sensitive to its properties exhibiting long collapse and revival phenomena, which play a significant role in enhancing the stabilization and control of the system dynamics. Moreover, we show that the GP can be considered as a tool for testing and characterizing the nature of the qubit–environment coupling. Due to the significance of how a system is quantum correlated with its environment in the construction of a scalable quantum computer, the entanglement dynamics between the qubit with its environment under external classical noise is evaluated and investigated during the time evolution. -- Highlights: •Geometric phase under noise phase laser. •Dynamics of the geometric phase under non-Markovian dynamics in the presence of classical noise. •Solution of master equation of the system in terms atomic inversion. •Nonlocal correlation between the system and its environment under non-Markovianity.

  14. Non-adiabatic effects on the optical response of driven systems

    NASA Astrophysics Data System (ADS)

    Fregoso, Benjamin M.; Kolodrubetz, Michael; Moore, Joel

    Periodically driven systems have received renewed interest due to their capacity to engineer non-trivial effective Hamiltonians. A characteristic of such systems is how they respond to weak periodicity-breaking drive, as for example when a laser is pulsed instead of continuous wave. We develop semi-classical equations of motion of a wave packet in the presence of electric and magnetic fields which are turned on non-adiabatically. We then show the emergence of significant corrections to electronic collective excitations and optical responses of topological insulator surface states, Weyl metals and semiconductor mono-chalcogenides.

  15. Taple-top imaging of the non-adiabatically driven isomerization in the acetylene cation

    NASA Astrophysics Data System (ADS)

    Beaulieu, Samuel; Ibrahim, Heide; Wales, Benji; Schmidt, Bruno E.; Thiré, Nicolas; Bisson, Éric; Hebeisen, Christoph T.; Wanie, Vincent; Giguere, Mathieu; Kieffer, Jean-Claude; Sanderson, Joe; Schuurman, Michael S.; Légaré, François

    2014-05-01

    One of the primary goals of modern ultrafast science is to follow nuclear and electronic evolution of molecules as they undergo a photo-chemical reaction. Most of the interesting dynamics phenomena in molecules occur when an electronically excited state is populated. When the energy difference between electronic ground and excited states is large, Free Electron Laser (FEL) and HHG-based VUV sources were, up to date, the only light sources able to efficiently initiate those non-adiabatic dynamics. We have developed a simple table-top approach to initiate those rich dynamics via multiphoton absorption. As a proof of principle, we studied the ultrafast isomerization of the acetylene cation. We have chosen this model system for isomerization since the internal conversion mechanism which leads to proton migration is still under debate since decades. Using 266 nm multiphoton absorption as a pump and 800 nm induced Coulomb Explosion as a probe, we have shoot the first high-resolution molecular movie of the non-adiabatically driven proton migration in the acetylene cation. The experimental results are in excellent agreement with high level ab initio trajectory simulations.

  16. A dynamical approach to non-adiabatic electron transfers at the bio-inorganic interface.

    PubMed

    Zanetti-Polzi, Laura; Corni, Stefano

    2016-04-21

    A methodology is proposed to investigate electron transfer reactions between redox-active biomolecular systems (e.g. a protein) and inorganic surfaces. The whole system is modelled at the atomistic level using classical molecular dynamics - making an extensive sampling of the system's configurations possible - and the energies associated with the redox-active complex reduction are calculated using a hybrid quantum/classical approach along the molecular dynamics trajectory. The non-adiabaticity is introduced a posteriori using a Monte Carlo approach based on the Landau-Zener theory extended to treat a metal surface. This approach thus allows us to investigate the role of the energy fluctuations, determined by the dynamical evolution of the system, as well as the role of non-adiabaticity in affecting the kinetic rate of the electron transfer reaction. Most notably, it allows us to investigate the two contributions separately, hence achieving a detailed picture of the mechanisms that determine the rate. The analysis of the system configurations also allows us to relate the estimated electronic coupling to the structural and dynamic properties of the system. As a test case, the methodology is here applied to study the electron transfer reaction between cytochrome c and a gold surface. The results obtained explain the different electron transfer rates experimentally measured for two different concentrations of proteins on the electrode surface.

  17. Deviation from Berry's adiabatic geometric phase in a [sup 131]Xe nuclear gyroscope

    SciTech Connect

    Appelt, S.; Waeckerle, G.; Mehring, M. )

    1994-06-20

    The concept of geometric phase is demonstrated in a nuclear gyroscope using [sup 131]Xe nuclear spins ([ital I]=3/2) as sensors for quantum-phase accumulation. By spatial rotation sub-Hertz splittings due to geometric phases are resolved in nuclear-quadrupole spectra. Deviations from Berry's adiabatic geometric phase appear in the regime of nonadiabatic rotation. The observed frequency splittings are no longer linear in the rotational frequency, as expected from adiabatic rotations, and all possible transitions, namely, six in this partially degenerate spin-3/3 system, are observed experimentally.

  18. Asymptotic geometric phase and purity for phase qubit dispersively coupled to lossy LC circuit

    SciTech Connect

    Mohamed, A.-B.A.; Obada, A.-S.F.

    2011-09-15

    Analytical descriptions of the geometric phases (GPs) for the total system and subsystems are studied for a current biased Josephson phase qubit strongly coupled to a lossy LC circuit in the dispersive limit. It is found that, the GP and purity depend on the damping parameter which leads to the phenomenon of GP death. Coherence parameter delays the phenomenon of a regular sequence of deaths and births of the GP. The asymptotic behavior of the GP and the purity for the qubit-LC resonator state closely follow that for the qubit state, but however, for the LC circuit these asymptotic values are equal to zero. - Highlights: > The model of a current biased Josephson phase qubit, strongly coupled to loss LC circuit, is considered. > Analytical descriptions of the geometric phase (GP) of this model, in the dispersive limit, are studied. > The GP and purity depend on the dissipation which leads to the GP death phenomenon. > Coherence parameter delays the phenomenon of a regular sequence of deaths and births of the GP.

  19. Non-Abelian geometric phase and long-range atomic forces

    NASA Technical Reports Server (NTRS)

    Zygelman, B.

    1990-01-01

    It is shown how gauge fields, or geometric phases, manifest as observable effects in both bound and free diatom systems. It is shown that, in addition to altering energy splittings in bound systems, geometric phases induce transitions in levels separated by a finite-energy gap. An example is given where the non-Abelian gauge field couples nondegenerate electronic levels in a diatom. This gauge-field coupling gives rise to an observable effect. It is shown that when the diatom is 'pulled apart', the non-Abelian geometric phase manifests as a long-range atomic force.

  20. Inchworm Monte Carlo for exact non-adiabatic dynamics. I. Theory and algorithms

    NASA Astrophysics Data System (ADS)

    Chen, Hsing-Ta; Cohen, Guy; Reichman, David R.

    2017-02-01

    In this paper, we provide a detailed description of the inchworm Monte Carlo formalism for the exact study of real-time non-adiabatic dynamics. This method optimally recycles Monte Carlo information from earlier times to greatly suppress the dynamical sign problem. Using the example of the spin-boson model, we formulate the inchworm expansion in two distinct ways: The first with respect to an expansion in the system-bath coupling and the second as an expansion in the diabatic coupling. The latter approach motivates the development of a cumulant version of the inchworm Monte Carlo method, which has the benefit of improved scaling. This paper deals completely with methodology, while Paper II provides a comprehensive comparison of the performance of the inchworm Monte Carlo algorithms to other exact methodologies as well as a discussion of the relative advantages and disadvantages of each.

  1. The exact forces on classical nuclei in non-adiabatic charge transfer

    SciTech Connect

    Agostini, Federica; Abedi, Ali; Suzuki, Yasumitsu; Min, Seung Kyu; Gross, E. K. U.; Maitra, Neepa T.

    2015-02-28

    The decomposition of electronic and nuclear motion presented in Abedi et al. [Phys. Rev. Lett. 105, 123002 (2010)] yields a time-dependent potential that drives the nuclear motion and fully accounts for the coupling to the electronic subsystem. Here, we show that propagation of an ensemble of independent classical nuclear trajectories on this exact potential yields dynamics that are essentially indistinguishable from the exact quantum dynamics for a model non-adiabatic charge transfer problem. We point out the importance of step and bump features in the exact potential that are critical in obtaining the correct splitting of the quasiclassical nuclear wave packet in space after it passes through an avoided crossing between two Born-Oppenheimer surfaces and analyze their structure. Finally, an analysis of the exact potentials in the context of trajectory surface hopping is presented, including preliminary investigations of velocity-adjustment and the force-induced decoherence effect.

  2. Specific absorption rate determination of magnetic nanoparticles through hyperthermia measurements in non-adiabatic conditions

    NASA Astrophysics Data System (ADS)

    Coïsson, M.; Barrera, G.; Celegato, F.; Martino, L.; Vinai, F.; Martino, P.; Ferraro, G.; Tiberto, P.

    2016-10-01

    An experimental setup for magnetic hyperthermia operating in non-adiabatic conditions is described. A thermodynamic model that takes into account the heat exchanged by the sample with the surrounding environment is developed. A suitable calibration procedure is proposed that allows the experimental validation of the model. Specific absorption rate can then be accurately determined just from the measurement of the sample temperature at the equilibrium steady state. The setup and the measurement procedure represent a simplification with respect to other systems requiring calorimeters or crucial corrections for heat flow. Two families of magnetic nanoparticles, one superparamagnetic and one characterised by larger sizes and static hysteresis, have been characterised as a function of field intensity, and specific absorption rate and intrinsic loss power have been obtained.

  3. Adiabatic vs. non-adiabatic determination of specific absorption rate of ferrofluids

    NASA Astrophysics Data System (ADS)

    Natividad, Eva; Castro, Miguel; Mediano, Arturo

    2009-05-01

    The measurement of temperature variations in adiabatic conditions allows the determination of the specific absorption rate of magnetic nanoparticles and ferrofluids from the correct incremental expression, SAR=(1/ m MNP) C(Δ T/Δ t). However, when measurements take place in non-adiabatic conditions, one must approximate this expression by SAR≈ Cβ/ m MNP, where β is the initial slope of the temperature vs. time curve during alternating field application. The errors arising from the use of this approximation were estimated through several experiments with different isolating conditions, temperature sensors and sample-sensor contacts. It is concluded that small to appreciable errors can appear, which are difficult to infer or control.

  4. Photofragmentation and vibrational relaxation of size-selected clusters ions : Non-adiabatic molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Douady, J.; Gervais, B.; Jacquet, E.; Zanuttini, D.; Giglio, E.

    2009-11-01

    We present non-adiabatic molecular dynamics simulations of size-selected Na2+ Arn (n=6-11-17) cluster. Their electronic structure is obtained from an accurate 1-electron model using core polarization pseudopotentials. We follow the dynamics of two specific photoexcitation processes (X2 Σ+g → A2Σ+u) and (X2 Σ+g → B2 Πu) during the first 10 ps. We identify a variety of processes in these clusters, such as dissociation of the Na2+ chromophore, solvation of the Na+ fragment as Na+ Arp and the recombination to the ground state of the Na2+ Arp with an important solvent evaporation. These processes depend significantly on the transition and on the isomer. We discuss these processes as a function of the cluster size.

  5. Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach

    DOE PAGES

    Fernandez-Alberti, Sebastian; Makhov, Dmitry V.; Tretiak, Sergei; ...

    2016-03-10

    Photoinduced dynamics of electronic and vibrational unidirectional energy transfer between meta-linked building blocks in a phenylene ethynylene dendrimer is simulated using a multiconfigurational Ehrenfest in time-dependent diabatic basis (MCE-TDDB) method, a new variant of the MCE approach developed by us for dynamics involving multiple electronic states with numerous abrupt crossings. Excited-state energies, gradients and non-adiabatic coupling terms needed for dynamics simulation are calculated on-the-fly using the Collective Electron Oscillator (CEO) approach. In conclusion, a comparative analysis of our results obtained using MCE-TDDB, the conventional Ehrenfest method and the surface-hopping approach with and without decoherence corrections is presented.

  6. Electronic non-adiabatic states: towards a density functional theory beyond the Born–Oppenheimer approximation

    PubMed Central

    Gidopoulos, Nikitas I.; Gross, E. K. U.

    2014-01-01

    A novel treatment of non-adiabatic couplings is proposed. The derivation is based on a theorem by Hunter stating that the wave function of the complete system of electrons and nuclei can be written, without approximation, as a Born–Oppenheimer (BO)-type product of a nuclear wave function, X(R), and an electronic one, ΦR(r), which depends parametrically on the nuclear configuration R. From the variational principle, we deduce formally exact equations for ΦR(r) and X(R). The algebraic structure of the exact nuclear equation coincides with the corresponding one in the adiabatic approximation. The electronic equation, however, contains terms not appearing in the adiabatic case, which couple the electronic and the nuclear wave functions and account for the electron–nuclear correlation beyond the BO level. It is proposed that these terms can be incorporated using an optimized local effective potential. PMID:24516183

  7. Non-adiabatic effects in near-adiabatic mixed-field orientation and alignment

    NASA Astrophysics Data System (ADS)

    Maan, Anjali; Ahlawat, Dharamvir Singh; Prasad, Vinod

    2016-11-01

    We present a theoretical study of the impact of a pair of moderate electric fields tilted an angle with respect to one another on a molecule. As a prototype, we consider a molecule with large rotational constant (with corresponding small rotational period) and moderate dipole moment. Within rigid-rotor approximation, the time-dependent Schrodinger equation is solved using fourth-order Runge-Kutta method. We have analysed that lower rotational states are significantly influenced by variation in pulse durations, the tilt angle between the fields and also on the electric field strengths. We also suggest a control scheme of how the rotational dynamics, orientation and alignment of a molecule can be enhanced by a combination of near-adiabatic pulses in comparision to non-adiabatic or adiabatic pulses.

  8. Numerical solution of non-isothermal non-adiabatic flow of real gases in pipelines

    NASA Astrophysics Data System (ADS)

    Bermúdez, Alfredo; López, Xián; Vázquez-Cendón, M. Elena

    2016-10-01

    A finite volume scheme for the numerical solution of a mathematical model for non-isothermal non-adiabatic compressible flow of a real gas in a pipeline is introduced. In order to make an upwind discretization of the flux, the Q-scheme of van Leer is used. Unlike standard Euler equations, the model takes into account wall friction, variable height and heat transfer between the pipe and the environment. Since all these terms are sources, in order to get a well-balanced scheme they are discretized by making a similar upwinding to the one in the flux term. The performance of the overall method has been shown for some usual numerical tests. The final goal, which is beyond the scope of this paper, is to consider a network including several pipelines connected at junctions, as those employed for natural gas transport.

  9. Non-adiabatic molecular dynamics with complex quantum trajectories. II. The adiabatic representation

    SciTech Connect

    Zamstein, Noa; Tannor, David J.

    2012-12-14

    We present a complex quantum trajectory method for treating non-adiabatic dynamics. Each trajectory evolves classically on a single electronic surface but with complex position and momentum. The equations of motion are derived directly from the time-dependent Schroedinger equation, and the population exchange arises naturally from amplitude-transfer terms. In this paper the equations of motion are derived in the adiabatic representation to complement our work in the diabatic representation [N. Zamstein and D. J. Tannor, J. Chem. Phys. 137, 22A517 (2012)]. We apply our method to two benchmark models introduced by John Tully [J. Chem. Phys. 93, 1061 (1990)], and get very good agreement with converged quantum-mechanical calculations. Specifically, we show that decoherence (spatial separation of wavepackets on different surfaces) is already contained in the equations of motion and does not require ad hoc augmentation.

  10. Non-Adiabatic Dynamics of ICN-(Ar)n and BrCN-(Ar)n

    NASA Astrophysics Data System (ADS)

    Opoku-Agyeman, Bernice; McCoy, Anne B.

    2016-06-01

    We investigate the dynamics of the photodissociation of ICN-(Ar)n and BrCN-(Ar)n following electronic excitation to states that dissociate into X- + CN and X* + CN- (X = I or Br) using classical dynamics approaches. Observations made from previous experiments and calculations of these anions demonstrated that non-adiabatic effects are important in the photodissociation process and are reflected in the branching ratios of the photoproducts. The addition of an argon atom is expected to shift the relative energies of these excited states, thereby altering the product branching. Interestingly, experimental studies show that electronically exciting ICN- solvated with even a single argon atom leads to a small fraction of the products recombine to form ICN-.a In this study, the dynamics are carried out using classical mechanics, treating the non-adiabatic effect with a surface hopping algorithm. We assess the accuracy of this approach by first calculating the branching ratios for the bare anions and comparing the results to those from quantum dynamics calculations.a,b Once the results from both the quantum and classical dynamics are shown to be consistent, the classical dynamics simulations are extended to the argon solvated anions. S. Case, E. M. Miller, J. P. Martin, Y. J. Lu, L. Sheps, A. B. McCoy, and W. C. Lineberger, Angew. Chem., Int. Ed. 51, 2651 (2012). B. Opoku-Agyeman, A. S. Case, J. H. Lehman, W. Carl Lineberger and A. B. McCoy, J. Chem Phys. 141, 084305 (2014). J. C. Tully, J. Chem Phys. 93, 1061 (1990).

  11. Effects of geometrical and energetic nonadditivity on the phase behavior of two-component symmetric mixtures

    NASA Astrophysics Data System (ADS)

    Patrykiejew, A.

    2017-01-01

    Using Monte Carlo simulation methods in the grand-canonical ensemble, we have studied the phase behavior of three-dimensional symmetric binary mixtures of Lennard-Jones particles. We have also elucidated the effects of geometric and energetic nonadditivity on the phase behavior. Phase diagrams for several systems have been evaluated. We have demonstrated that in completely miscible mixtures the geometrical nonadditivity (negative as well as positive) stabilizes a liquid phase leading to a gradual increase of the critical temperature. The mechanism leading to such behavior is different when the system shows negative and positive geometrical nonadditivity. In the case of systems with negative energetic nonadditivity, which may exhibit demixing transition in the liquid phase, their phase behavior is also strongly affected by the geometric non-additivity. The systems with negative geometric nonadditivity have been demonstrated to show reentrant miscibility, while those with positive geometric nonadditivity show enhanced tendency toward mixing at sufficiently high temperatures. We have evaluated phase diagrams for several systems.

  12. Scaling of geometric quantum discord close to a topological phase transition.

    PubMed

    Shan, Chuan-Jia; Cheng, Wei-Wen; Liu, Ji-Bing; Cheng, Yong-Shan; Liu, Tang-Kun

    2014-03-26

    Quantum phase transition is one of the most interesting aspects in quantum many-body systems. Recently, geometric quantum discord has been introduced to signature the critical behavior of various quantum systems. However, it is well-known that topological quantum phase transition can not be described by the conventional Landau's symmetry breaking theory, and thus it is unknown that whether previous study can be applicable in this case. Here, we study the topological quantum phase transition in Kitaev's 1D p-wave spinless quantum wire model in terms of its ground state geometric quantum discord. The derivative of geometric quantum discord is nonanalytic at the critical point, in both zero temperature and finite temperature cases. The scaling behavior and the universality are verified numerically. Therefore, our results clearly show that all the key ingredients of the topological phase transition can be captured by the nearest neighbor and long-range geometric quantum discord.

  13. Geometric phase and topology of elastic oscillations and vibrations in model systems: Harmonic oscillator and superlattice

    NASA Astrophysics Data System (ADS)

    Deymier, P. A.; Runge, K.; Vasseur, J. O.

    2016-12-01

    We illustrate the concept of geometric phase in the case of two prototypical elastic systems, namely the one-dimensional harmonic oscillator and a one-dimensional binary superlattice. We demonstrate formally the relationship between the variation of the geometric phase in the spectral and wave number domains and the parallel transport of a vector field along paths on curved manifolds possessing helicoidal twists which exhibit non-conventional topology.

  14. Stochastic pump effect and geometric phases in dissipative and stochastic systems

    SciTech Connect

    Sinitsyn, Nikolai

    2008-01-01

    The success of Berry phases in quantum mechanics stimulated the study of similar phenomena in other areas of physics, including the theory of living cell locomotion and motion of patterns in nonlinear media. More recently, geometric phases have been applied to systems operating in a strongly stochastic environment, such as molecular motors. We discuss such geometric effects in purely classical dissipative stochastic systems and their role in the theory of the stochastic pump effect (SPE).

  15. Geometric phase of a qubit driven by a phase noise laser under non-Markovian dynamics

    NASA Astrophysics Data System (ADS)

    Berrada, K.

    2014-01-01

    Robustness of the geometric phase (GP) with respect to the environmental effects is a basic condition for an effective quantum computation. Here, we study quantitatively the GP of a two-level atom system driven by a phase noise laser under non-Markovian dynamics in terms of different parameters involved in the whole system. We find that with the change of the damping coupling, the GP is very sensitive to its properties exhibiting long collapse and revival phenomena, which play a significant role in enhancing the stabilization and control of the system dynamics. Moreover, we show that the GP can be considered as a tool for testing and characterizing the nature of the qubit-environment coupling. Due to the significance of how a system is quantum correlated with its environment in the construction of a scalable quantum computer, the entanglement dynamics between the qubit with its environment under external classical noise is evaluated and investigated during the time evolution.

  16. Competing spin phases in geometrically frustrated magnetic molecules.

    PubMed

    Schröder, Christian; Nojiri, Hiroyuki; Schnack, Jürgen; Hage, Peter; Luban, Marshall; Kögerler, Paul

    2005-01-14

    We identify a class of zero-dimensional classical and quantum Heisenberg spin systems exhibiting anomalous behavior in an external magnetic field B similar to that found for the geometrically frustrated kagome lattice of classical spins. Our calculations for the isotropic Heisenberg model show the emergence of a pronounced minimum in the differential susceptibility dM/dB at B(sat)/3 as the temperature T is raised from 0 K for structures based on corner-sharing triangles, specifically the octahedron, cuboctahedron, and icosidodecahedron. As the first experimental evidence we note that the giant Keplerate magnetic molecule {Mo(72)Fe(30)} (Fe(3+) ions on the 30 vertices of an icosidodecahedron) exhibits this behavior. For low T when B approximately B(sat)/3 two competing families of spin configurations exist of which one behaves magnetically "stiff" leading to a reduction of dM/dB.

  17. Quantum geometric phase in Majorana's stellar representation: mapping onto a many-body Aharonov-Bohm phase.

    PubMed

    Bruno, Patrick

    2012-06-15

    The (Berry-Aharonov-Anandan) geometric phase acquired during a cyclic quantum evolution of finite-dimensional quantum systems is studied. It is shown that a pure quantum state in a (2J+1)-dimensional Hilbert space (or, equivalently, of a spin-J system) can be mapped onto the partition function of a gas of independent Dirac strings moving on a sphere and subject to the Coulomb repulsion of 2J fixed test charges (the Majorana stars) characterizing the quantum state. The geometric phase may be viewed as the Aharonov-Bohm phase acquired by the Majorana stars as they move through the gas of Dirac strings. Expressions for the geometric connection and curvature, for the metric tensor, as well as for the multipole moments (dipole, quadrupole, etc.), are given in terms of the Majorana stars. Finally, the geometric formulation of the quantum dynamics is presented and its application to systems with exotic ordering such as spin nematics is outlined.

  18. Geometric constraints on phase coexistence in vanadium dioxide single crystals

    NASA Astrophysics Data System (ADS)

    McGahan, Christina; Gamage, Sampath; Liang, Jiran; Cross, Brendan; Marvel, Robert E.; Haglund, Richard F.; Abate, Yohannes

    2017-02-01

    The appearance of stripe phases is a characteristic signature of strongly correlated quantum materials, and its origin in phase-changing materials has only recently been recognized as the result of the delicate balance between atomic and mesoscopic materials properties. A vanadium dioxide (VO2) single crystal is one such strongly correlated material with stripe phases. Infrared nano-imaging on low-aspect-ratio, single-crystal VO2 microbeams decorated with resonant plasmonic nanoantennas reveals a novel herringbone pattern of coexisting metallic and insulating domains intercepted and altered by ferroelastic domains, unlike previous reports on high-aspect-ratio VO2 crystals where the coexisting metal/insulator domains appear as alternating stripe phases perpendicular to the growth axis. The metallic domains nucleate below the crystal surface and grow towards the surface with increasing temperature as suggested by the near-field plasmonic response of the gold nanorod antennas.

  19. On the accuracy of surface hopping dynamics in condensed phase non-adiabatic problems

    NASA Astrophysics Data System (ADS)

    Chen, Hsing-Ta; Reichman, David R.

    2016-03-01

    We perform extensive benchmark comparisons of surface hopping dynamics with numerically exact calculations for the spin-boson model over a wide range of energetic and coupling parameters as well as temperature. We find that deviations from golden-rule scaling in the Marcus regime are generally small and depend sensitively on the energetic bias between electronic states. Fewest switches surface hopping (FSSH) is found to be surprisingly accurate over a large swath of parameter space. The inclusion of decoherence corrections via the augmented FSSH algorithm improves the accuracy of dynamical behavior compared to exact simulations, but the effects are generally not dramatic, at least for the case of an environment modeled with the commonly used Debye spectral density.

  20. Vibrational coherences in charge-transfer dyes: a non-adiabatic picture.

    PubMed

    Sissa, Cristina; Delchiaro, Francesca; Di Maiolo, Francesco; Terenziani, Francesca; Painelli, Anna

    2014-10-28

    Essential-state models efficiently describe linear and nonlinear spectral properties of different families of charge-transfer chromophores. Here, the essential-state machinery is applied to the calculation of the early-stage dynamics after ultrafast (coherent) excitation of polar and quadrupolar chromophores. The fully non-adiabatic treatment of coupled electronic and vibrational motion allows for a reliable description of the dynamics of these intriguing systems. In particular, the proposed approach is reliable even when the adiabatic and harmonic approximations do not apply, such as for quadrupolar dyes that show a multistable, broken-symmetry excited state. Our approach quite naturally leads to a clear picture for a dynamical Jahn-Teller effect in these systems. The recovery of symmetry due to dynamical effects is however disrupted in polar solvents where a static symmetry lowering is observed. More generally, thermal disorder in polar solvents is responsible for dephasing phenomena, damping the coherent oscillations with particularly important effects in the case of polar dyes.

  1. Vibrational coherences in charge-transfer dyes: A non-adiabatic picture

    SciTech Connect

    Sissa, Cristina; Delchiaro, Francesca; Di Maiolo, Francesco

    2014-10-28

    Essential-state models efficiently describe linear and nonlinear spectral properties of different families of charge-transfer chromophores. Here, the essential-state machinery is applied to the calculation of the early-stage dynamics after ultrafast (coherent) excitation of polar and quadrupolar chromophores. The fully non-adiabatic treatment of coupled electronic and vibrational motion allows for a reliable description of the dynamics of these intriguing systems. In particular, the proposed approach is reliable even when the adiabatic and harmonic approximations do not apply, such as for quadrupolar dyes that show a multistable, broken-symmetry excited state. Our approach quite naturally leads to a clear picture for a dynamical Jahn-Teller effect in these systems. The recovery of symmetry due to dynamical effects is however disrupted in polar solvents where a static symmetry lowering is observed. More generally, thermal disorder in polar solvents is responsible for dephasing phenomena, damping the coherent oscillations with particularly important effects in the case of polar dyes.

  2. Fitting and using model Hamiltonian in non-adiabatic molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Smale, Jonathan Ross

    In order to study computationally increasingly complex systems using theoretical methods model, Hamiltonians are required to accurately describe the potential energy surface they represent. Also ab-initio methods improve the calculation of the excited states of these complex systems becomes increasingly feasible. One such model Hamiltonian described herein, the Vibronic Coupling Hamiltonian, has previously shown its versatility and ability to describe a variety of non-adiabatic problems. This thesis describes a new method, a genetic algorithm, for the parameterisation of the Vibronic Coupling Hamiltonian to describe both previously calculated potential energy surfaces (allene and pentatetraene) and newly calculated (cyclo-butadiene and toluene) potential energy surfaces. In order to test this genetic algorithm, quantum nuclear dynamics calculations were performed using the multi-configurational time dependent Hartree method and the results compared to experiment..

  3. Geometric phase in entangled systems: A single-neutron interferometer experiment

    SciTech Connect

    Sponar, S.; Klepp, J.; Loidl, R.; Durstberger-Rennhofer, K.; Badurek, G.; Hasegawa, Y.; Filipp, S.; Bertlmann, R. A.; Rauch, H.

    2010-04-15

    The influence of the geometric phase on a Bell measurement, as proposed by Bertlmann et al. [Phys. Rev. A 69, 032112 (2004)] and expressed by the Clauser-Horne-Shimony-Holt (CHSH) inequality, has been observed for a spin-path-entangled neutron state in an interferometric setup. It is experimentally demonstrated that the effect of geometric phase can be balanced by a change in Bell angles. The geometric phase is acquired during a time-dependent interaction with a radiofrequency field. Two schemes, polar and azimuthal adjustment of the Bell angles, are realized and analyzed in detail. The former scheme yields a sinusoidal oscillation of the correlation function S, dependent on the geometric phase, such that it varies in the range between 2 and 2{radical}(2) and therefore always exceeds the boundary value 2 between quantum mechanic and noncontextual theories. The latter scheme results in a constant, maximal violation of the Bell-like CHSH inequality, where S remains 2{radical}(2) for all settings of the geometric phase.

  4. Geometrical Models of the Phase Space Structures Governing Reaction Dynamics

    DTIC Science & Technology

    2009-08-01

    s.wiggins@bristol.ac.uk Abstract Hamiltonian dynamical systems possessing equilibria of saddle × centre × · · · × centre stability type display...definition of the phase space structures in the normal form coordinates . . . . . . . . 6 2.3 The foliation of the reaction region by Lagrangian ...McGehee representation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 3.4 Implications for Nonlinear Hamiltonian Vector Fields

  5. Ultrafast control of electron spin in a quantum dot using geometric phase

    NASA Astrophysics Data System (ADS)

    Malinovsky, V. S.; Rudin, S.

    2012-12-01

    We propose a scheme to perform arbitrary unitary operations on a single electron-spin qubit in a quantum dot. The design is solely based on the geometrical phase that the qubit state acquires after a cyclic evolution in the parameter space. The scheme is utilizing ultrafast linearly-chirped pulses providing adiabatic excitation of the qubit states and the geometric phase is fully controlled by the relative phase between pulses. The analytic expression of the evolution operator for the electron spin in a quantum dot, which provides a clear geometrical interpretation of the qubit dynamics is obtained. Using parameters of InGaN/GaN, GaN/AlN quantum dots we provide an estimate for the time scale of the qubit rotations and parameters of the external fields.

  6. Geometric phase and gravitational precession of D-branes

    SciTech Connect

    Pedder, Chris; Sonner, Julian; Tong, David

    2007-12-15

    We study Berry's phase in the D0-D4-brane system. When a D0-brane moves in the background of D4-branes, the first excited states undergo a holonomy described by a non-Abelian Berry connection. At weak coupling this is an SU(2) connection over R{sup 5}, known as the Yang monopole. At strong coupling, the holonomy is recast as the classical gravitational precession of a spinning particle. The Berry connection is the spin connection of the near-horizon limit of the D4-branes, which is a continuous deformation of the Yang and anti-Yang monopole.

  7. Detecting non-Abelian geometric phases with three-level Λ systems

    NASA Astrophysics Data System (ADS)

    Du, Yan-Xiong; Xue, Zheng-Yuan; Zhang, Xin-Ding; Yan, Hui

    2011-09-01

    We show that a non-Abelian gauge potential in two nearly degenerated dressed states may be induced by two laser beams interacting with a three-level Λ atomic system. We demonstrate that the populations of the atomic states at the end of a composed path formed by two closed loops are dependent on the order of those two loops, showing an unambiguous signature of the non-Abelian geometric phase. Through numerical calculations, we show that the non-Abelian feature of the geometric phases can be tested under realistic conditions.

  8. An angular frequency dependence on the Aharonov–Casher geometric phase

    SciTech Connect

    Barboza, P.M.T.; Bakke, K.

    2015-10-15

    A quantum effect characterized by a dependence of the angular frequency associated with the confinement of a neutral particle to a quantum ring on the quantum numbers of the system and the Aharonov–Casher geometric phase is discussed. Then, it is shown that persistent spin currents can arise in a two-dimensional quantum ring in the presence of a Coulomb-type potential. A particular contribution to the persistent spin currents arises from the dependence of the angular frequency on the geometric quantum phase.

  9. Detecting non-Abelian geometric phases with three-level {Lambda} systems

    SciTech Connect

    Du Yanxiong; Xue Zhengyuan; Zhang Xinding; Yan Hui

    2011-09-15

    We show that a non-Abelian gauge potential in two nearly degenerated dressed states may be induced by two laser beams interacting with a three-level {Lambda} atomic system. We demonstrate that the populations of the atomic states at the end of a composed path formed by two closed loops are dependent on the order of those two loops, showing an unambiguous signature of the non-Abelian geometric phase. Through numerical calculations, we show that the non-Abelian feature of the geometric phases can be tested under realistic conditions.

  10. A phase diagram for microfabrication of geometrically controlled hydrogel scaffolds.

    PubMed

    Tirella, A; Orsini, A; Vozzi, G; Ahluwalia, A

    2009-12-01

    Hydrogels are considered as excellent candidates for tissue substitutes by virtue of their high water content and biphasic nature. However, the fact that they are soft, wet and floppy renders them difficult to process and use as custom-designed scaffolds. To address this problem alginate hydrogels were modeled and characterized by measuring stress-strain and creep behavior as well as viscosity as a function of sodium alginate concentration, cross-linking time and calcium ion concentration. The gels were then microfabricated into scaffolds using the pressure-assisted microsyringe. The mechanical and viscous characteristics were used to generate a processing window in the form of a phase diagram which describes the fidelity of the scaffolds as a function of the material and machine parameters. The approach can be applied to a variety of microfabrication methods and biomaterials in order to design well-controlled custom scaffolds.

  11. Non-adiabatic exchange-correlation kernel for the non-equilibrium response of three-dimensional Hubbard model

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Baral, Nisha; Turkowski, Volodymyr; Rahman, Talat S.

    2015-03-01

    We apply Dynamical Mean-Field Theory (DMFT) to calculate the non-adiabatic (frequency-dependent) exchange-correlation kernel for the three-dimensional Hubbard model. We analyze the dependence of the kernel on the electron doping, local Coulomb repulsion and frequency by using three different impurity solvers: Hubbard-I, Iterative Perturbation Theory (IPT) and Continuous-Time Quantum Monte Carlo (CT-QMC). From the calculated data, we obtain approximate analytical expressions for the kernel. We apply the exact numerical and analytical kernels to study the non-equilibrium response of the system for applied ultrafast laser pulse. We demonstrate that the non-adiabaticity of the kernel plays an important role in the system response; in particular, leading to new excited-states involved in the system dynamics. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  12. Classical model for electronically non-adiabatic collision processes resonance effects in electronic-vibrational energy transfer

    SciTech Connect

    Orel, Ann E.; Ali, Dominic P.; Miller, William H.

    1981-02-01

    In this paper, a classical model for electronically non-adiabatic collision processes is applied to E → V energy transfer in a collinear system, A + BC (v = 1) → A* + BC (v = 0), resembling Br-H2. Finally, the model, which treats electronic as well as translational, rotational, and vibrational degrees of freedom by classical mechanics, describes the resonance features in this process reasonably well.

  13. Quantum phase transition in the Dzyaloshinskii-Moriya interaction with inhomogeneous magnetic field: Geometric approach

    NASA Astrophysics Data System (ADS)

    Najarbashi, G.; Seifi, B.

    2017-02-01

    In this paper, we generalize the results of Oh (Phys Lett A 373:644-647, 2009) to Dzyaloshinskii-Moriya model under non-uniform external magnetic field to investigate the relation between entanglement, geometric phase (or Berry phase) and quantum phase transition. We use quaternionic representation to relate the geometric phase to the quantum phase transition. For small values of DM parameter, the Berry phase is more appropriate than the concurrence measure, while for large values, the concurrence is a good indicator to show the phase transition. On the other hand, by increasing the DM interaction the phase transition occurs for large values of anisotropy parameter. In addition, for small values of magnetic field the concurrence measure is appropriate indicator for quantum phase transition, but for large values of magnetic field the Berry phase shows a sharp changes in the phase transition points. The results show that the Berry phase and concurrence form a complementary system from phase transition point of view.

  14. Geometric phase in the Hopf bundle and the stability of non-linear waves

    NASA Astrophysics Data System (ADS)

    Grudzien, Colin J.; Bridges, Thomas J.; Jones, Christopher K. R. T.

    2016-11-01

    We develop a stability index for the traveling waves of non-linear reaction-diffusion equations using the geometric phase induced on the Hopf bundle S 2 n - 1 ⊂Cn. This can be viewed as an alternative formulation of the winding number calculation of the Evans function, whose zeros correspond to the eigenvalues of the linearization of reaction-diffusion operators about the wave. The stability of a traveling wave can be determined by the existence of eigenvalues of positive real part for the linear operator. Our method of geometric phase for locating and counting eigenvalues is inspired by the numerical results in Way's Dynamics in the Hopf bundle, the geometric phase and implications for dynamical systems Way (2009). We provide a detailed proof of the relationship between the phase and eigenvalues for dynamical systems defined on C2 and sketch the proof of the method of geometric phase for Cn and its generalization to boundary-value problems. Implementing the numerical method, modified from Way (2009), we conclude with open questions inspired from the results.

  15. Optimization of the Geometric Phase Sensitivity of an Array of Atom Ring Interferometers

    NASA Astrophysics Data System (ADS)

    Sandoval-Sanchez, Karina; Campo, Christian; Rivera, Tabitha; Toland, John

    2015-05-01

    Sagnac, and Aharonov-Bohm phase shifts are important geometric phase shifts in atom interferometry. These phase shifts characterize rotational and magnetic field interference effects respectively. Theoretical explorations have shown that a series of ring interferometers can be connected in series to increase the sensitivity of the overall device while keeping the maximum path separation less than the coherence length of the atoms. It has also been shown that the application of an area chirp to the rings will further enhance the sensitivity of the array of rings to geometric phase shifts. Area chirp refers to characterizing all of the rings in the array to a fixed percentage of a reference ring, this allows for the phase shifts in each ring to be characterized by one ring. The goal of this project is to determine a set of parameters namely kL, the product of the ring circumference and the wave number and γ, the chirp factor for the area chirp, that optimize the geometric phase sensitivity for an array of N rings. We model the transmission coefficient of a quantum matter wave through an area chirped array of interferometers as a function of phase, using transfer matrices to represent the transmission and reflection of individual rings in the array. Isolated transmission resonances represent the domain of interest, these are regions of high phase sensitivity. After optimizing a ring array without loss we apply velocity broadening to the input matter waves to investigate a more realistic output.

  16. Quantifying Waddington landscapes and paths of non-adiabatic cell fate decisions for differentiation, reprogramming and transdifferentiation.

    PubMed

    Li, Chunhe; Wang, Jin

    2013-12-06

    Cellular differentiation, reprogramming and transdifferentiation are determined by underlying gene regulatory networks. Non-adiabatic regulation via slow binding/unbinding to the gene can be important in these cell fate decision-making processes. Based on a stem cell core gene network, we uncovered the stem cell developmental landscape. As the binding/unbinding speed decreases, the landscape topography changes from bistable attractors of stem and differentiated states to more attractors of stem and other different cell states as well as substates. Non-adiabaticity leads to more differentiated cell types and provides a natural explanation for the heterogeneity observed in the experiments. We quantified Waddington landscapes with two possible cell fate decision mechanisms by changing the regulation strength or regulation timescale (non-adiabaticity). Transition rates correlate with landscape topography through barrier heights between different states and quantitatively determine global stability. We found the optimal speeds of these cell fate decision-making processes. We quantified biological paths and predict that differentiation and reprogramming go through an intermediate state (IM1), whereas transdifferentiation goes through another intermediate state (IM2). Some predictions are confirmed by recent experimental studies.

  17. Hidden parameters in open-system evolution unveiled by geometric phase

    SciTech Connect

    Pawlus, Patrik; Sjoeqvist, Erik

    2010-11-15

    We find a class of open-system models in which individual quantum trajectories may depend on parameters that are undetermined by the full open-system evolution. This dependence is imprinted in the geometric phase associated with such trajectories and persists after averaging. Our findings indicate a potential source of ambiguity in the quantum trajectory approach to open quantum systems.

  18. Geometric phase of an atom inside an adiabatic radio-frequency potential

    SciTech Connect

    Zhang, P.; You, L.

    2007-09-15

    We investigate the geometric phase of an atom inside an adiabatic radio-frequency (rf) potential created from a static magnetic field (B field) and a time-dependent rf field. The spatial motion of the atomic center of mass is shown to give rise to a geometric phase, or Berry's phase, in the adiabatically evolving atomic hyperfine spin along the local B field. This phase is found to depend on both the static B field along the semiclassical trajectory of the atomic center of mass and an effective magnetic field consisting of the total B field, including the oscillating rf field. Specific calculations are provided for several recent atom interferometry experiments and proposals utilizing adiabatic rf potentials.

  19. Fast non-Abelian geometric gates via transitionless quantum driving.

    PubMed

    Zhang, J; Kyaw, Thi Ha; Tong, D M; Sjöqvist, Erik; Kwek, Leong-Chuan

    2015-12-21

    A practical quantum computer must be capable of performing high fidelity quantum gates on a set of quantum bits (qubits). In the presence of noise, the realization of such gates poses daunting challenges. Geometric phases, which possess intrinsic noise-tolerant features, hold the promise for performing robust quantum computation. In particular, quantum holonomies, i.e., non-Abelian geometric phases, naturally lead to universal quantum computation due to their non-commutativity. Although quantum gates based on adiabatic holonomies have already been proposed, the slow evolution eventually compromises qubit coherence and computational power. Here, we propose a general approach to speed up an implementation of adiabatic holonomic gates by using transitionless driving techniques and show how such a universal set of fast geometric quantum gates in a superconducting circuit architecture can be obtained in an all-geometric approach. Compared with standard non-adiabatic holonomic quantum computation, the holonomies obtained in our approach tends asymptotically to those of the adiabatic approach in the long run-time limit and thus might open up a new horizon for realizing a practical quantum computer.

  20. Geometric super-resolved imaging based upon axial scanning and phase retrieval.

    PubMed

    Borkowski, Amikam; Marom, Emanuel; Zalevsky, Zeev

    2014-06-20

    In this paper, we propose a new geometric super-resolving approach that overcomes the geometric resolution reduction caused by the spatially large pixels of the detector array. The improvement process is obtained by applying an axial scanning procedure. In the scanning process, several images are captured corresponding to focus applied at several axial planes. By applying an iterative Gerchberg-Saxton-based algorithm, we managed to retrieve the phase and to reconstruct the original high-resolution image from the captured set of low-resolution images. In addition, the paper also presents a numerically efficient algorithm to compute the free space Fresnel integral.

  1. Compositional interpretation of the geometric albedo of asteroids. I. Solar phase effects

    NASA Astrophysics Data System (ADS)

    Carvano, J. M.

    2008-08-01

    Aims: In this first paper we investigate the dependence of the geometric albedo on the phase function of the particles that cover it, and derive the expected geometric albedo of bodies for a given mineralogy, taking into account the constraints imposed by the observed phase functions of the asteroids. Methods: A genetic fitting algorithm is used to fit Hapke integral phase functions to Lumme-Bowell integral phase functions described by values of the slope parameter G of the IAU HG system. The resulting geometric albedo of laboratory samples are then compared to the observed values of asteroids with assumed similar mineralogy. Results: Because of the weak dependence of barθ on the integral phase functions it is not possible to find a unique set of Hapke parameters that fit the Lumme-Bowell function for a given value of G, at least for phase angles <60°. Instead, unique solutions can be found if we leave barθ as a free parameter. It is shown that the laboratory derived scattering parameters in general fail to match the geometric albedo and slope parameter of asteroids of presumed equal mineralogy. It is also shown that a given value of the single scatter albedo can lead to very different values of p_v, depending on G and barθ. The methodology developed is used to compare the observed pv and G of the asteroids (4) Vesta and (21) Lutetia with laboratory measurements of materials with suposedly similar compositions. As expected, it is found that the albedo and slope parameter of Vesta are compatible with measurements of unweathered terrestrial basalts with grain sizes <= 250 μm. The albedo and slope parameter of Lutetia are found to be compatible with samples of the Allende CV3 meteorite for grain sizes <500 μm. The routines that allow the conversion between w and pV (and vice-versa) are available at http://funk.on.br/ carvano/albedo/albedo.html

  2. Geometric analysis of phase bunching in the central region of cyclotron

    NASA Astrophysics Data System (ADS)

    Miyawaki, Nobumasa; Fukuda, Mitsuhiro; Kurashima, Satoshi; Kashiwagi, Hirotsugu; Okumura, Susumu; Arakawa, Kazuo; Kamiya, Tomihiro

    2013-07-01

    An optimum condition for realizing phase bunching in the central region of a cyclotron was quantitatively clarified by a simplified geometric trajectory analysis of charged particles from the first to the second acceleration gap. The phase bunching performance was evaluated for a general case of a cyclotron. The phase difference of incident particles at the second acceleration gap depends on the combination of four parameters: the acceleration harmonic number h, the span angle θD of the dee electrode, the span angle θF from the first to the second acceleration gap, the ratio RV of the peak acceleration voltage between the cyclotron and ion source. Optimum values of θF for phase bunching were limited by the relationship between h and θD, which is 90°/h+θD/2≤θF≤180°/h+θD/2, and sin θF>0. The phase difference with respect to the reference particle at the second acceleration gap is minimized for voltage-ratios between two and four for an initial phase difference within 40 RF degrees. Although the slope of the first acceleration gap contributes to the RF phase at which the particles reach the second acceleration gap, phase bunching was not affected. An orbit simulation of the AVF cyclotron at the Japan Atomic Energy Agency verifies the evaluation based on geometric analysis.

  3. Non-adiabatic processes in the charge transfer reaction of O{sub 2} molecules with potassium surfaces without dissociation

    SciTech Connect

    Krix, David; Nienhaus, Hermann

    2014-08-21

    Thin potassium films grown on Si(001) substrates are used to measure internal chemicurrents and the external emission of exoelectrons simultaneously during adsorption of molecular oxygen on K surfaces at 120 K. The experiments clarify the dynamics of electronic excitations at a simple metal with a narrow valence band. X-ray photoemission reveals that for exposures below 5 L almost exclusively peroxide K{sub 2}O{sub 2} is formed, i.e., no dissociation of the molecule occurs during interaction. Still a significant chemicurrent and a delayed exoelectron emission are detected due to a rapid injection of unoccupied molecular levels below the Fermi level. Since the valence band width of potassium is approximately equal to the potassium work function (2.4 eV) the underlying mechanism of exoemission is an Auger relaxation whereas chemicurrents are detected after resonant charge transfer from the metal valence band into the injected level. The change of the chemicurrent and exoemission efficiencies with oxygen coverage can be deduced from the kinetics of the reaction and the recorded internal and external emission currents traces. It is shown that the non-adiabaticity of the reaction increases with coverage due to a reduction of the electronic density of states at the surface while the work function does not vary significantly. Therefore, the peroxide formation is one of the first reaction systems which exhibits varying non-adiabaticity and efficiencies during the reaction. Non-adiabatic calculations based on model Hamiltonians and density functional theory support the picture of chemicurrent generation and explain the rapid injection of hot hole states by an intramolecular motion, i.e., the expansion of the oxygen molecule on the timescale of a quarter of a vibrational period.

  4. Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electronically non-adiabatic processes

    SciTech Connect

    Cotton, Stephen J.; Miller, William H.

    2013-12-21

    A recently described symmetrical windowing methodology [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] for quasi-classical trajectory simulations is applied here to the Meyer-Miller [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] model for the electronic degrees of freedom in electronically non-adiabatic dynamics. Results generated using this classical approach are observed to be in very good agreement with accurate quantum mechanical results for a variety of test applications, including problems where coherence effects are significant such as the challenging asymmetric spin-boson system.

  5. Experimental Demonstration of Spin Geometric Phase: Radius Dependence of Time-Reversal Aharonov-Casher Oscillations

    NASA Astrophysics Data System (ADS)

    Nagasawa, Fumiya; Takagi, Jun; Kunihashi, Yoji; Kohda, Makoto; Nitta, Junsaku

    2012-02-01

    A geometric phase of electron spin is studied in arrays of InAlAs/InGaAs two-dimensional electron gas rings. By increasing the radius of the rings, the time-reversal symmetric Aharonov-Casher oscillations of the electrical resistance are shifted towards weaker spin-orbit interaction regions with their shortened period. We conclude that the shift is due to a modulation of the spin geometric phase, the maximum modulation of which is approximately 1.5 rad. We further show that the Aharonov-Casher oscillations in various radius arrays collapse onto a universal curve if the radius and the strength of Rashba spin-orbit interaction are taken into account. The result is interpreted as the observation of the effective spin-dependent flux through a ring.

  6. Nonadiabatic tunneling via conical intersections and the role of the geometric phase

    NASA Astrophysics Data System (ADS)

    Xie, Changjian; Yarkony, David R.; Guo, Hua

    2017-02-01

    As a ubiquitous quantum effect, tunneling has attracted attention ever since the dawn of quantum mechanics. However, recent evidence suggests that nonadiabatic atomic tunneling near a conical intersection (CI) behaves differently from its adiabatic counterpart, producing lifetime differences of up to two orders of magnitude. Using two-dimensional models, we demonstrate here that the failure of the adiabatic model in describing tunneling near a CI can be attributed largely to the neglect of the geometric phase, which is associated with the adiabatic electronic wave function transported around a CI. The geometric phase-induced destructive interference among wave functions following different paths around the CI, manifested as a node in the adiabatic wave function, retards tunneling.

  7. Coriolis effect in optics: unified geometric phase and spin-Hall effect.

    PubMed

    Bliokh, Konstantin Y; Gorodetski, Yuri; Kleiner, Vladimir; Hasman, Erez

    2008-07-18

    We examine the spin-orbit coupling effects that appear when a wave carrying intrinsic angular momentum interacts with a medium. The Berry phase is shown to be a manifestation of the Coriolis effect in a noninertial reference frame attached to the wave. In the most general case, when both the direction of propagation and the state of the wave are varied, the phase is given by a simple expression that unifies the spin redirection Berry phase and the Pancharatnam-Berry phase. The theory is supported by the experiment demonstrating the spin-orbit coupling of electromagnetic waves via a surface plasmon nanostructure. The measurements verify the unified geometric phase, demonstrated by the observed polarization-dependent shift (spin-Hall effect) of the waves.

  8. Measurement of the Aharonov-Casher geometric phase with a separated-arm atom interferometer

    NASA Astrophysics Data System (ADS)

    Gillot, Jonathan; Lepoutre, Steven; Gauguet, Alexandre; Vigué, Jacques; Büchner, Matthias

    2014-06-01

    In this letter, we report a measurement of the Aharonov-Casher (AC) geometric phase with our lithium atom interferometer. The AC phase appears when a particle carrying a magnetic dipole propagates in a transverse electric field. The first measurement of the AC phase was done with a neutron interferometer in 1989 by Cimmino et al. [Phys. Rev. Lett. 63, 380 (1989)] and all the following experiments were done with Ramsey or Ramsey-Bordé interferometers with molecules or atoms. In our experiment, we use lithium atoms pumped in a single hyperfine-Zeeman sublevel and we measure the AC-phase by applying opposite electric fields on the two interferometer arms. Our measurements are in good agreement with the expected theoretical values and they also provide a further test of the independence of the AC phase with the atom velocity.

  9. Evaluation of pixel-wise geometric constraint-based phase-unwrapping method for low signal-to-noise-ratio (SNR) phase

    NASA Astrophysics Data System (ADS)

    An, Yatong; Liu, Ziping; Zhang, Song

    2016-12-01

    This paper evaluates the robustness of our recently proposed geometric constraint-based phase-unwrapping method to unwrap a low-signal-to-noise ratio (SNR) phase. Instead of capturing additional images for absolute phase unwrapping, the new phase-unwrapping algorithm uses geometric constraints of the digital fringe projection (DFP) system to create a virtual reference phase map to unwrap the phase pixel by pixel. Both simulation and experimental results demonstrate that this new phase-unwrapping method can even successfully unwrap low-SNR phase maps that bring difficulties for conventional multi-frequency phase-unwrapping methods.

  10. Phase behavior of a nematic liquid crystal in contact with a chemically and geometrically structured substrate.

    PubMed

    Harnau, L; Kondrat, S; Poniewierski, A

    2005-07-01

    A nematic liquid crystal in contact with a grating surface possessing an alternating stripe pattern of locally homeotropic and planar anchoring is studied within the Frank-Oseen model. The combination of both chemical and geometrical surface pattern leads to rich phase diagrams, involving a homeotropic, a planar, and a tilted nematic texture. The effect of the groove depth and the anchoring strengths on the location and the order of phase transitions between different nematic textures is studied. A zenithally bistable nematic device is investigated by confining a nematic liquid crystal between the patterned grating surface and a flat substrate with strong homeotropic anchoring.

  11. Ultrafast dual photoresponse of isolated biological chromophores: link to the photoinduced mode-specific non-adiabatic dynamics in proteins.

    PubMed

    Bochenkova, Anastasia V; Andersen, Lars H

    2013-01-01

    The anionic wild-type Green Fluorescent Protein (GFP) chromophore defines an entire class of naturally occurring chromophores, which are based on the oxydized tyrosine side chain. The GFP chromophore exhibits an enriched photoinduced non-adiabatic dynamics in the multiple excited-state decay channels. Deactivation includes vibrational resonant photodetachment and internal conversion. Here, we provide detailed insight into the efficiency of different vibrational modes in promoting a selective photoresponse in the bare GFP chromophore anion. We introduce a general theoretical model that is capable of accounting for the alternative non-equivalent pathways in internal conversion, and we outline the factors, by which the photo-initiated response may be altered in this channel. The topography around the planar minimum in S1 and the two distinct types of the S1/S0 conical intersections obtained through high-level ab initio calculations provide direct support to the proposed model. There are mode-selective ways to control the photoresponse and to direct it towards a single excited-state decay channel. By tuning the excitation wavelength, the photoresponse may be directed towards the ultrafast non-statistical electron emission coupled with vibrational (de)coherence, whereas a vibrational pre-excitation in the ground state may lead to the ultrafast non-statistical internal conversion through a conical intersection. We also discuss the implication of our results to the photo-initiated non-adiabatic dynamics in the proteins.

  12. Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics.

    PubMed

    Neville, Simon P; Averbukh, Vitali; Patchkovskii, Serguei; Ruberti, Marco; Yun, Renjie; Chergui, Majed; Stolow, Albert; Schuurman, Michael S

    2016-12-16

    The excited state non-adiabatic dynamics of polyatomic molecules, leading to the coupling of structural and electronic dynamics, is a fundamentally important yet challenging problem for both experiment and theory. Ongoing developments in ultrafast extreme vacuum ultraviolet (XUV) and soft X-ray sources present new probes of coupled electronic-structural dynamics because of their novel and desirable characteristics. As one example, inner-shell spectroscopy offers localized, atom-specific probes of evolving electronic structure and bonding (via chemical shifts). In this work, we present the first on-the-fly ultrafast X-ray time-resolved absorption spectrum simulations of excited state wavepacket dynamics: photo-excited ethylene. This was achieved by coupling the ab initio multiple spawning (AIMS) method, employing on-the-fly dynamics simulations, with high-level algebraic diagrammatic construction (ADC) X-ray absorption cross-section calculations. Using the excited state dynamics of ethylene as a test case, we assessed the ability of X-ray absorption spectroscopy to project out the electronic character of complex wavepacket dynamics, and evaluated the sensitivity of the calculated spectra to large amplitude nuclear motion. In particular, we demonstrate the pronounced sensitivity of the pre-edge region of the X-ray absorption spectrum to the electronic and structural evolution of the excited-state wavepacket. We conclude that ultrafast time-resolved X-ray absorption spectroscopy may become a powerful tool in the interrogation of excited state non-adiabatic molecular dynamics.

  13. Ultrafast Response of the Hubbard Model: Non-adiabatic TDDFT + DMFT versus Non-equilibrium DMFT Solution

    NASA Astrophysics Data System (ADS)

    Acharya, Shree Ram; Turkowski, Volodymyr; Rahman, Talat S.

    We study the ultrafast response of electrons in the one-band Hubbard model to an external laser-pulse perturbation by using the Non-adiabatic Time-Dependent Density Functional Theory + Dynamical Mean-Field Theory (TDDFT +DMFT) approach. The corresponding exchange-correlation kernel (XC) is obtained from the DMFT charge susceptibility by using the Quantum Monte Carlo solver for the impurity problem. Detailed analysis of the time-dependent excited charge density, the Fermi distribution function, and the spatially nonhomogeneous response (metallic domain growth), is performed for different values for the carrier density and local Coulomb repulsion. We compare the results with the corresponding non-equilibrium DMFT solutions, and demonstrate that non-adiabaticity (frequency-dependence) of the XC kernel is important in order to reproduce the non-equilibrium DMFT solution. Also, from the numerical results for the charge susceptibility, we obtain an approximate analytical expression for the XC kernel. Using this kernel, we reveal possible types of ''elementary'' excitations and the dynamics of metallic domain growth in the case of the one-band Hubbard model. Possible generalization of the approach to the multi-orbital case is discussed. Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354.

  14. Fitness in time-dependent environments includes a geometric phase contribution

    PubMed Central

    Tănase-Nicola, Sorin; Nemenman, Ilya

    2012-01-01

    Phenotypic evolution implies sequential rise in frequency of new genomic sequences. The speed of the rise depends, in part, on the relative fitness (selection coefficient) of the mutant versus the ancestor. Using a simple population dynamics model, we show that the relative fitness in dynamical environments is not equal to the geometric average of the fitness over individual environments. Instead, it includes a term that explicitly depends on the sequence of the environments. For slowly varying environments, this term depends only on the oriented area enclosed by the trajectory taken by the system in the environment state space. It is closely related to the well-studied geometric phases in classical and quantum physical systems. We discuss possible biological implications of these observations, focusing on evolution of novel metabolic or stress-resistant functions. PMID:22112653

  15. Multi-target-qubit unconventional geometric phase gate in a multi-cavity system

    PubMed Central

    Liu, Tong; Cao, Xiao-Zhi; Su, Qi-Ping; Xiong, Shao-Jie; Yang, Chui-Ping

    2016-01-01

    Cavity-based large scale quantum information processing (QIP) may involve multiple cavities and require performing various quantum logic operations on qubits distributed in different cavities. Geometric-phase-based quantum computing has drawn much attention recently, which offers advantages against inaccuracies and local fluctuations. In addition, multiqubit gates are particularly appealing and play important roles in QIP. We here present a simple and efficient scheme for realizing a multi-target-qubit unconventional geometric phase gate in a multi-cavity system. This multiqubit phase gate has a common control qubit but different target qubits distributed in different cavities, which can be achieved using a single-step operation. The gate operation time is independent of the number of qubits and only two levels for each qubit are needed. This multiqubit gate is generic, e.g., by performing single-qubit operations, it can be converted into two types of significant multi-target-qubit phase gates useful in QIP. The proposal is quite general, which can be used to accomplish the same task for a general type of qubits such as atoms, NV centers, quantum dots, and superconducting qubits. PMID:26898176

  16. Geometric entanglement and quantum phase transitions in two-dimensional quantum lattice models

    NASA Astrophysics Data System (ADS)

    Shi, Qian-Qian; Wang, Hong-Lei; Li, Sheng-Hao; Cho, Sam Young; Batchelor, Murray T.; Zhou, Huan-Qiang

    2016-06-01

    Geometric entanglement (GE), as a measure of multipartite entanglement, has been investigated as a universal tool to detect phase transitions in quantum many-body lattice models. In this paper we outline a systematic method to compute GE for two-dimensional (2D) quantum many-body lattice models based on the translational invariant structure of infinite projected entangled pair state (iPEPS) representations. By employing this method, the q -state quantum Potts model on the square lattice with q ∈{2 ,3 ,4 ,5 } is investigated as a prototypical example. Further, we have explored three 2D Heisenberg models: the antiferromagnetic spin-1/2 X X X and anisotropic X Y X models in an external magnetic field, and the antiferromagnetic spin-1 X X Z model. We find that continuous GE does not guarantee a continuous phase transition across a phase transition point. We observe and thus classify three different types of continuous GE across a phase transition point: (i) GE is continuous with maximum value at the transition point and the phase transition is continuous, (ii) GE is continuous with maximum value at the transition point but the phase transition is discontinuous, and (iii) GE is continuous with nonmaximum value at the transition point and the phase transition is continuous. For the models under consideration, we find that the second and the third types are related to a point of dual symmetry and a fully polarized phase, respectively.

  17. Local geometric phase and quantum-state tomography for a superconducting qubit threaded by a magnetic flux

    NASA Astrophysics Data System (ADS)

    Kang, Kicheon

    2014-02-01

    We investigate the local geometric phase induced by Faraday's law of induction in a superconducting charge qubit threaded by an Aharonov-Bohm flux. A quantum-state reconstruction scheme, which is based on measurement of three complementary quantities, that is, the extra charge and two local currents, is introduced. We find that, while the variation of the local phase with magnetic field is determined by Faraday's law, incorporation of the time-reversal symmetry enables complete determination of the local phase. This procedure clearly demonstrates that the local geometric phase is a physical quantity (aside from a global phase factor), in contrast to the standard description of the Aharonov-Bohm effect.

  18. Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections.

    PubMed

    Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

    2015-10-14

    Using a simple model Hamiltonian, the three correction terms for Born-Oppenheimer (BO) breakdown, the adiabatic diagonal correction (DC), the first-derivative momentum non-adiabatic correction (FD), and the second-derivative kinetic-energy non-adiabatic correction (SD), are shown to all contribute to thermodynamic and spectroscopic properties as well as to thermal non-diabatic chemical reaction rates. While DC often accounts for >80% of thermodynamic and spectroscopic property changes, the commonly used practice of including only the FD correction in kinetics calculations is rarely found to be adequate. For electron-transfer reactions not in the inverted region, the common physical picture that diabatic processes occur because of surface hopping at the transition state is proven inadequate as the DC acts first to block access, increasing the transition state energy by (ℏω)(2)λ/16J(2) (where λ is the reorganization energy, J the electronic coupling and ω the vibration frequency). However, the rate constant in the weakly-coupled Golden-Rule limit is identified as being only inversely proportional to this change rather than exponentially damped, owing to the effects of tunneling and surface hopping. Such weakly-coupled long-range electron-transfer processes should therefore not be described as "non-adiabatic" processes as they are easily described by Born-Huang ground-state adiabatic surfaces made by adding the DC to the BO surfaces; instead, they should be called just "non-Born-Oppenheimer" processes. The model system studied consists of two diabatic harmonic potential-energy surfaces coupled linearly through a single vibration, the "two-site Holstein model". Analytical expressions are derived for the BO breakdown terms, and the model is solved over a large parameter space focusing on both the lowest-energy spectroscopic transitions and the quantum dynamics of coherent-state wavepackets. BO breakdown is investigated pertinent to: ammonia inversion, aromaticity

  19. Absorption and impedance boundary conditions for phased geometrical-acoustics methods.

    PubMed

    Jeong, Cheol-Ho

    2012-10-01

    Defining accurate acoustical boundary conditions is of crucial importance for room acoustic simulations. In predicting sound fields using phased geometrical acoustics methods, both absorption coefficients and surface impedances of the boundary surfaces can be used, but no guideline has been developed on which boundary condition produces accurate results. In this study, various boundary conditions in terms of normal, random, and field incidence absorption coefficients and normal incidence surface impedance are used in a phased beam tracing model, and the simulated results are validated with boundary element solutions. Two rectangular rooms with uniform and non-uniform absorption distributions are tested. Effects of the neglect of reflection phase shift are also investigated. It is concluded that the impedance, random incidence, and field incidence absorption boundary conditions produce reasonable results with some exceptions at low frequencies for acoustically soft materials.

  20. Sentinel-2A image quality commissioning phase final results: geometric calibration and performances

    NASA Astrophysics Data System (ADS)

    Languille, F.; Gaudel, A.; Dechoz, C.; Greslou, D.; de Lussy, F.; Trémas, T.; Poulain, V.; Massera, S.

    2016-10-01

    In the frame of the Copernicus program of the European Commission, Sentinel-2 offers multispectral high-spatial-resolution optical images over global terrestrial surfaces. In cooperation with ESA, the Centre National d'Etudes Spatiales (CNES) is in charge of the image quality of the project, and so ensures the CAL/VAL commissioning phase during the months following the launch. Sentinel-2 is a constellation of 2 satellites on a polar sun-synchronous orbit with a revisit time of 5 days (with both satellites), a high field of view - 290km, 13 spectral bands in visible and shortwave infrared, and high spatial resolution - 10m, 20m and 60m. The Sentinel-2 mission offers a global coverage over terrestrial surfaces. The satellites acquire systematically terrestrial surfaces under the same viewing conditions in order to have temporal images stacks. The first satellite was launched in June 2015. Following the launch, the CAL/VAL commissioning phase is then lasting during 6 months for geometrical calibration. This paper will point on observations and results seen on Sentinel-2 images during commissioning phase. It will provide explanations about Sentinel-2 products delivered with geometric corrections. This paper will detail calibration sites, and the methods used for geometrical parameters calibration and will present linked results. The following topics will be presented: viewing frames orientation assessment, focal plane mapping for all spectral bands, results on geolocation assessment, and multispectral registration. There is a systematic images recalibration over a same reference which is a set of S2 images produced during the 6 months of CAL/VAL. This set of images will be presented as well as the geolocation performance and the multitemporal performance after refining over this ground reference.

  1. Geometrical phase driven predissociation: lifetimes of 2 2 A' levels of H3.

    PubMed

    Blandon, Juan; Kokoouline, Viatcheslav

    2009-04-10

    We discuss the role of the geometric phase in predissociation dynamics of vibrational states near a conical intersection of two electronic potential surfaces of a D{3h} molecule. We present a method to calculate lifetimes and positions of predissociated vibrational states (Feshbach resonances) for such X3 molecules. The method accounts for the two coupled three-body potential surfaces. As an example, the method is applied to obtain vibrational levels of the 2;{2}A' electronic state of H3. The three-body recombination rate coefficient for the H+H+H-->H{2}+H process is estimated.

  2. A geometric entropy detecting the Erdös-Rényi phase transition

    NASA Astrophysics Data System (ADS)

    Franzosi, Roberto; Felice, Domenico; Mancini, Stefano; Pettini, Marco

    2015-07-01

    We propose a method to associate a differentiable Riemannian manifold to a generic many-degrees-of-freedom discrete system which is not described by a Hamiltonian function. Then, in analogy with classical statistical mechanics, we introduce an entropy as the logarithm of the volume of the manifold. The geometric entropy so defined is able to detect a paradigmatic phase transition occurring in random graphs theory: the appearance of the “giant component” according to the Erdös-Rényi theorem.

  3. Monitoring Non-Adiabatic Dynamics of the RNA Base Uracil by UV-Pump-IR-Probe Spectroscopy

    PubMed Central

    Fingerhut, Benjamin P.; Dorfman, Konstantin E.; Mukamel, Shaul

    2013-01-01

    Resolving the excited state dynamics of DNA- and RNA- nucleobases has attracted considerably attention. UV irradiation of the isolated nucleobases leads to the population of an electronic excited state which is quenched by internal conversion mediated by conical intersections on an ultrafast timescale. We present non-adiabatic on-the-fly molecular dynamics simulations of the UV-pump-IR-probe signal of the pyrimidine nucleobase uracil using a novel semiclassical protocol which takes into account the path integral over the excited state vibrational dynamics and properly describes the joint temporal and spectral resolution of the technique. Simulations of vibrational motions of carbonyl fingerprint modes in the electronically excited states reveal clear signatures of different relaxation pathways on a timescale of hundreds of femtoseconds which arise from an ultrafast branching in the excited state. We show that the inherent temporal and spectral resolution of the technique is not purely instrumental but also depends on the vibrational fluctuation timescale. PMID:23914288

  4. Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature

    SciTech Connect

    Taioli, Simone; Garberoglio, Giovanni; Simonucci, Stefano; Beccara, Silvio a; Aversa, Lucrezia; Nardi, Marco; Verucchi, Roberto; Iannotta, Salvatore; Dapor, Maurizio; and others

    2013-01-28

    In this work, we investigate the processes leading to the room-temperature growth of silicon carbide thin films by supersonic molecular beam epitaxy technique. We present experimental data showing that the collision of fullerene on a silicon surface induces strong chemical-physical perturbations and, for sufficient velocity, disruption of molecular bonds, and cage breaking with formation of nanostructures with different stoichiometric character. We show that in these out-of-equilibrium conditions, it is necessary to go beyond the standard implementations of density functional theory, as ab initio methods based on the Born-Oppenheimer approximation fail to capture the excited-state dynamics. In particular, we analyse the Si-C{sub 60} collision within the non-adiabatic nuclear dynamics framework, where stochastic hops occur between adiabatic surfaces calculated with time-dependent density functional theory. This theoretical description of the C{sub 60} impact on the Si surface is in good agreement with our experimental findings.

  5. ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization.

    PubMed

    Fingerhut, Benjamin P; Oesterling, Sven; Haiser, Karin; Heil, Korbinian; Glas, Andreas; Schreier, Wolfgang J; Zinth, Wolfgang; Carell, Thomas; de Vivie-Riedle, Regina

    2012-05-28

    Non-adiabatic on-the-fly molecular dynamics (NA-O-MD) simulations require the electronic wavefunction, energy gradients, and derivative coupling vectors in every timestep. Thus, they are commonly restricted to the excited state dynamics of molecules with up to ≈20 atoms. We discuss an approximation that combines the ONIOM(QM:QM) method with NA-O-MD simulations to allow calculations for larger molecules. As a proof of principle we present the excited state dynamics of a (6-4)-lesion containing dinucleotide (63 atoms), and especially the importance to include the confinement effects of the DNA backbone. The method is able to include electron correlation on a high level of theory and offers an attractive alternative to QM:MM approaches for moderate sized systems with unknown force fields.

  6. ONIOM approach for non-adiabatic on-the-fly molecular dynamics demonstrated for the backbone controlled Dewar valence isomerization

    NASA Astrophysics Data System (ADS)

    Fingerhut, Benjamin P.; Oesterling, Sven; Haiser, Karin; Heil, Korbinian; Glas, Andreas; Schreier, Wolfgang J.; Zinth, Wolfgang; Carell, Thomas; de Vivie-Riedle, Regina

    2012-05-01

    Non-adiabatic on-the-fly molecular dynamics (NA-O-MD) simulations require the electronic wavefunction, energy gradients, and derivative coupling vectors in every timestep. Thus, they are commonly restricted to the excited state dynamics of molecules with up to ≈20 atoms. We discuss an approximation that combines the ONIOM(QM:QM) method with NA-O-MD simulations to allow calculations for larger molecules. As a proof of principle we present the excited state dynamics of a (6-4)-lesion containing dinucleotide (63 atoms), and especially the importance to include the confinement effects of the DNA backbone. The method is able to include electron correlation on a high level of theory and offers an attractive alternative to QM:MM approaches for moderate sized systems with unknown force fields.

  7. Communication: Note on detailed balance in symmetrical quasi-classical models for electronically non-adiabatic dynamics

    SciTech Connect

    Miller, William H. Cotton, Stephen J.

    2015-04-07

    It is noted that the recently developed symmetrical quasi-classical (SQC) treatment of the Meyer-Miller (MM) model for the simulation of electronically non-adiabatic dynamics provides a good description of detailed balance, even though the dynamics which results from the classical MM Hamiltonian is “Ehrenfest dynamics” (i.e., the force on the nuclei is an instantaneous coherent average over all electronic states). This is seen to be a consequence of the SQC windowing methodology for “processing” the results of the trajectory calculation. For a particularly simple model discussed here, this is shown to be true regardless of the choice of windowing function employed in the SQC model, and for a more realistic full classical molecular dynamics simulation, it is seen to be maintained correctly for very long time.

  8. Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature.

    PubMed

    Taioli, Simone; Garberoglio, Giovanni; Simonucci, Stefano; a Beccara, Silvio; Aversa, Lucrezia; Nardi, Marco; Verucchi, Roberto; Iannotta, Salvatore; Dapor, Maurizio; Alfè, Dario

    2013-01-28

    In this work, we investigate the processes leading to the room-temperature growth of silicon carbide thin films by supersonic molecular beam epitaxy technique. We present experimental data showing that the collision of fullerene on a silicon surface induces strong chemical-physical perturbations and, for sufficient velocity, disruption of molecular bonds, and cage breaking with formation of nanostructures with different stoichiometric character. We show that in these out-of-equilibrium conditions, it is necessary to go beyond the standard implementations of density functional theory, as ab initio methods based on the Born-Oppenheimer approximation fail to capture the excited-state dynamics. In particular, we analyse the Si-C(60) collision within the non-adiabatic nuclear dynamics framework, where stochastic hops occur between adiabatic surfaces calculated with time-dependent density functional theory. This theoretical description of the C(60) impact on the Si surface is in good agreement with our experimental findings.

  9. Non-Adiabatic Mechanism for Photosynthetic Energy Transfer and All-Optical Determination of Concentration using Femtosecond Lasers

    NASA Astrophysics Data System (ADS)

    Tiwari, Vivek

    2015-05-01

    Understanding the fundamental physics of light-harvesting in both, natural and artificial systems is key for the development of efficient light-harvesting technologies. My thesis addresses the following topics, i.) the mechanism underlying the remarkably efficient electronic energy transfer in natural light harvesting antennas, ii.) a femtosecond time-resolved photonumeric technique to quantitatively characterize transient chemical species. This talk will concentrate on the first project, while briefly touching the key ideas of the second project. Light harvesting antennas use a set of closely spaced pigment molecules held in a controlled relative geometry by a protein. It is shown that in certain antenna proteins the excited state electronic energy gaps between the pigments are resonant with a quantum of pigment vibrational energy. With such a vibrational-electronic resonance, anti-correlated motions between the pigments lead to a strong coupling between the electronic and nuclear motions, that is, breakdown of the Born-Oppenheimer approximation, over a wide range of pigment vibrational motions. It is shown that the 2D spectroscopic signatures of the resulting unavoidable nested non-adiabatic energy funnel on the excited states of photosynthetic antennas are consistent with all the reported 2D signatures of long-lived coherent oscillations, including the ones that are not explained by prior models of excited state electronic energy transfer. Extensions that account for both resonant and near-resonant pigment vibrations suggest that photosynthetic energy transfer presents a novel design in which electronic energy transfer proceeds non-adiabatically through clusters of vibrations with frequencies distributed around electronic energy gaps. I will also briefly talk about our experiments demonstrating quantitative time-resolved measurement of absolute number of excited state molecules. Based on these measurements, an all-optical technique that simultaneously determines

  10. Critical space-time networks and geometric phase transitions from frustrated edge antiferromagnetism.

    PubMed

    Trugenberger, Carlo A

    2015-12-01

    Recently I proposed a simple dynamical network model for discrete space-time that self-organizes as a graph with Hausdorff dimension d(H)=4. The model has a geometric quantum phase transition with disorder parameter (d(H)-d(s)), where d(s) is the spectral dimension of the dynamical graph. Self-organization in this network model is based on a competition between a ferromagnetic Ising model for vertices and an antiferromagnetic Ising model for edges. In this paper I solve a toy version of this model defined on a bipartite graph in the mean-field approximation. I show that the geometric phase transition corresponds exactly to the antiferromagnetic transition for edges, the dimensional disorder parameter of the former being mapped to the staggered magnetization order parameter of the latter. The model has a critical point with long-range correlations between edges, where a continuum random geometry can be defined, exactly as in Kazakov's famed 2D random lattice Ising model but now in any number of dimensions.

  11. Vibronic eigenstates and the geometric phase effect in the 2E″ state of NO3

    NASA Astrophysics Data System (ADS)

    Eisfeld, Wolfgang; Viel, Alexandra

    2017-01-01

    The 2E″ state of NO3, a prototype for the Jahn-Teller effect, has been an enigma and a challenge for a long time for both experiment and theory. We present a detailed theoretical study of the vibronic quantum dynamics in this electronic state, uncovering the effects of tunnelling, geometric phase, and symmetry. To this end, 45 vibronic levels of NO3 in the 2E″ state are determined accurately and analyzed thoroughly. The computation is based on a high quality diabatic potential representation of the two-sheeted surface of the 2E″ state developed by us [W. Eisfeld et al., J. Chem. Phys. 140, 224109 (2014)] and on the multi-configuration time dependent Hartree approach. The vibrational eigenstates of the NO3- anion are determined and analyzed as well to gain a deeper understanding of the symmetry properties of such D3h symmetric systems. To this end, 61 eigenstates of the NO3- anion ground state are computed using the single sheeted potential surface of the 1A1 state published in the same reference quoted above. The assignments of both the vibrational and vibronic levels are discussed. A simple model is proposed to rationalize the computed NO3 spectrum strongly influenced by the Jahn-Teller couplings, the associated geometric phase effect, and the tunnelling. Comparison with the available spectroscopic data is also presented.

  12. Critical space-time networks and geometric phase transitions from frustrated edge antiferromagnetism

    NASA Astrophysics Data System (ADS)

    Trugenberger, Carlo A.

    2015-12-01

    Recently I proposed a simple dynamical network model for discrete space-time that self-organizes as a graph with Hausdorff dimension dH=4 . The model has a geometric quantum phase transition with disorder parameter (dH-ds) , where ds is the spectral dimension of the dynamical graph. Self-organization in this network model is based on a competition between a ferromagnetic Ising model for vertices and an antiferromagnetic Ising model for edges. In this paper I solve a toy version of this model defined on a bipartite graph in the mean-field approximation. I show that the geometric phase transition corresponds exactly to the antiferromagnetic transition for edges, the dimensional disorder parameter of the former being mapped to the staggered magnetization order parameter of the latter. The model has a critical point with long-range correlations between edges, where a continuum random geometry can be defined, exactly as in Kazakov's famed 2D random lattice Ising model but now in any number of dimensions.

  13. Phase transition of geometrically frustrated TbNiAl in a magnetic field

    SciTech Connect

    Ehlers, Georg

    2007-01-01

    The phase transitions of the geometrically frustrated antiferromagnet TbNiAl in a magnetic field are studied by means of neutron powder diffraction, ac susceptibility, and muon spin relaxation ({mu}SR) measurements. Neutron powder diffraction reveals that, in addition to antiferromagnetic order, ferromagnetic order is induced in a field as low as B{approx}0.02T . At higher fields, ferromagnetic and antiferromagnetic order coexist in different domains in the sample, and the domain balance depends on both magnetic field and temperature. Antiferromagnetic Bragg reflections are observed below a Neel temperature of T{sub N}=47K which is independent of the field. Ferromagnetic Bragg peaks are observed below a field-dependent Curie temperature which increases from {Tc}=52K at B=0.2T to {Tc}=70K at B=5T . Both phase transitions are concurrently observed in ac susceptibility and {mu}SR measurements.

  14. Wigner rotation and Thomas precession: geometric phases and related physical theories

    NASA Astrophysics Data System (ADS)

    Brezov, Danail S.; Mladenova, Clementina D.; Mladenov, Ivaïlo M.

    2015-06-01

    We use a vector parameter description of the Lorentz groups in ℝ2,1 and ℝ3,1 to obtain an exact expression for the Thomas factor as a geometric phase. The effect of phase accumulation in Thomas-Wigner precession phenomena is seen as a manifestation of the hyperbolic solid angle theorem. On the infinitesimal level, our description involves affine connections on the noncompact Hopf fibrations U(1) → SU(1, 1) → Δ and SU(2) → PSL(2,ℂ) → H 3. The associated gauge field is a restriction of the familiar Yang-Mills anti-instanton. We also consider the dual compact case, and we discuss generalizations to arbitrary dimensions and applications in various branches of theoretical physics.

  15. Metastable phase of lead phthalocyanine films on graphite: Correlation between geometrical and electronic structures

    NASA Astrophysics Data System (ADS)

    Kawakita, N.; Yamada, T.; Meissner, M.; Forker, R.; Fritz, T.; Munakata, T.

    2017-01-01

    The geometrical and electronic structures of a metastable phase of lead phthalocyanine (PbPc) films on graphite have been studied by combined use of low energy electron diffraction (LEED) and two-photon photoemission (2PPE) spectroscopy. In submonolayer (sub-ML) PbPc films on graphite, islands in a metastable phase are formed just after deposition, as we reported previously by use of photoelectron emission microscopy (PEEM) [I. Yamamoto, N. Matsuura, M. Mikamori, R. Yamamoto, T. Yamada, K. Miyakubo, N. Ueno, and T. Munakata, Surf. Sci. 602, 2232 (2008), 10.1016/j.susc.2008.04.037]. On single crystalline graphite substrates, the metastable islands produce clearly discernible LEED spots. By comparing the unit cell with that of annealed 1 ML films, molecules in the metastable islands are standing upright with a molecular density 1.8 times higher than that in the well-ordered 1 ML films. The LEED spots for the sub-ML films disappear after annealing. The islands in the metastable phase are surrounded by areas of a two-dimensional (2D) gaslike phase composed of flat-lying molecules. The metastable islands melt into the 2D gas phase, consistent with the PEEM results. In 2PPE spectroscopy, the lowest unoccupied molecular orbital (LUMO) derived level of the metastable phase is clearly distinguishable from that of flat-lying molecules. By tracking the thermal annealing process of the films by 2PPE spectroscopy, we clarify the decay of the LUMO derived peak intensity, the work function shift, and the energy shifts of molecular states associated with the transition from the metastable phase to the 2D gas phase. With this, we demonstrate the complementary capabilities of LEED and 2PPE spectroscopy to probe phase transitions of organic films in a nondestructive manner.

  16. Geometrical aspects of the frustration in the cubic phases of lyotropic liquid crystals.

    PubMed Central

    Anderson, D M; Gruner, S M; Leibler, S

    1988-01-01

    Bicontinuous cubic phases, composed of bilayers arranged in the geometries of periodic minimal surfaces, are found in a variety of different lipid/water systems. It has been suggested recently that these cubic structures arrive as the result of competition between two free-energy terms: the curvature energy of each monolayer and the stretching energy of the lipid chains. This scenario, closely analogous to the one that explains the origin of the hexagonal phases, is investigated here by means of simple geometrical calculations. It is first assumed that the lipid bilayer is of constant thickness and the distribution of the (local) mean curvature of the phospholipid-water interfaces is calculated. Then, assuming the mean curvature of these interfaces is constant, the distribution of the bilayer's thickness is calculated. Both calculations quantify the fact that the two energy terms are frustrated and cannot be satisfied simultaneously. However, the amount of the frustration can be smaller for the cubic phase than for the lamellar and hexagonal structures. Therefore, this phase can appear in the phase diagram between the other two, as observed in many recent experiments. PMID:3399497

  17. Light beams with general direction and polarization: Global description and geometric phase

    NASA Astrophysics Data System (ADS)

    Nityananda, R.; Sridhar, S.

    2014-02-01

    We construct the manifold describing the family of plane monochromatic light waves with all directions, polarizations, phases and intensities. A smooth description of polarization, valid over the entire sphere S2 of directions, is given through the construction of an orthogonal basis pair of complex polarization vectors for each direction; any light beam is then uniquely and smoothly specified by giving its direction and two complex amplitudes. This implies that the space of all light beams is the six dimensional manifold S2×C2∖{0}, the (untwisted) Cartesian product of a sphere and a two dimensional complex vector space minus the origin. A Hopf map (i.e. mapping the two complex amplitudes to the Stokes parameters) then leads to the four dimensional manifold S2×S2 which describes beams with all directions and polarization states. This product of two spheres can be viewed as an ordered pair of two points on a single sphere, in contrast to earlier work in which the same system was represented using Majorana's mapping of the states of a spin one quantum system to an unordered pair of points on a sphere. This is a different manifold, CP2, two dimensional complex projective space, which does not faithfully represent the full space of all directions and polarizations. Following the now-standard framework, we exhibit the fibre bundle whose total space is the set of all light beams of non-zero intensity, and base space S2×S2. We give the U(1) connection which determines the geometric phase as the line integral of a one-form along a closed curve in the total space. Bases are classified as globally smooth, global but singular, and local, with the last type of basis being defined only when the curve traversed by the system is given. Existing as well as new formulae for the geometric phase are presented in this overall framework.

  18. Geometric phase and quantum interference in photosynthetic reaction center: Regulation of electron transfer

    NASA Astrophysics Data System (ADS)

    Sun, Yuming; Su, Yuehua; Dai, Zhenhong; Wang, WeiTian

    2016-10-01

    Photosynthesis is driven by electron transfer in reaction centers in which the functional unit is composed of several simple molecules C2-symmetrically arranged into two branches. In view of quantum mechanism, both branches are possible pathways traversed by the transferred electron. Due to different evolution of spin state along two pathways in transmembrane electric potential (TEP), quantum state of the transferred electron at the bridged site acquires a geometric phase difference dependent on TEP, the most efficient electron transport takes place in a specific range of TEP beyond which electron transfer is dramatically suppressed. What's more, reaction center acts like elaborately designed quantum device preparing polarized spin dependent on TEP for the transferred electron to regulate the reduction potential at bridged site. In brief, electron transfer generates the TEP, reversely, TEP modulates the efficiency of electron transfer. This may be an important approach to maintaining an appreciable pH environment in photosynthesis.

  19. Universal set of single-qubit gates based on geometric phase of electron spin in a quantum dot

    NASA Astrophysics Data System (ADS)

    Malinovsky, Vladimir; Rudin, Sergey

    2012-02-01

    The electron spin in a single quantum dot is one of the perspective realizations of a qubit for the implementation of a quantum computer. During last decade several control schemes to perform single gate operations on a single quantum dot spin have been reported. We propose a scheme that allows performing ultrafast arbitrary unitary operations on a single qubit. We demonstrate how to use the geometric phase, which the Bloch vector gains along the cyclic path, to prepare an arbitrary state of a single qubit. It is shown that, the geometrical phase is fully controllable by the relative phase between the external fields. Using the analytic expression of the evolution operator for the electron spin in a quantum dot, we propose a scheme to design a universal set of single-qubit gates based solely on the geometrical phase that the qubit state acquires after a cyclic evolution in the parameter space. The scheme is utilizing ultrafast linearly-chirped pulses providing adiabatic excitation of the qubit states and the geometric phase is fully controlled by the relative phase between pulses.

  20. Non-adiabatic quantized charge pumping with tunable-barrier quantum dots: a review of current progress

    NASA Astrophysics Data System (ADS)

    Kaestner, Bernd; Kashcheyevs, Vyacheslavs

    2015-10-01

    Precise manipulation of individual charge carriers in nanoelectronic circuits underpins practical applications of their most basic quantum property—the universality and invariance of the elementary charge. A charge pump generates a net current from periodic external modulation of parameters controlling a nanostructure connected to source and drain leads; in the regime of quantized pumping the current varies in steps of {{q}\\text{e}} f as function of control parameters, where {{q}\\text{e}} is the electron charge and f is the frequency of modulation. In recent years, robust and accurate quantized charge pumps have been developed based on semiconductor quantum dots with tunable tunnel barriers. These devices allow modulation of charge exchange rates between the dot and the leads over many orders of magnitude and enable trapping of a precise number of electrons far away from equilibrium with the leads. The corresponding non-adiabatic pumping protocols focus on understanding of separate parts of the pumping cycle associated with charge loading, capture and release. In this report we review realizations, models and metrology applications of quantized charge pumps based on tunable-barrier quantum dots.

  1. Geometrical model for martensitic phase transitions: Understanding criticality and weak universality during microstructure growth

    NASA Astrophysics Data System (ADS)

    Torrents, Genís; Illa, Xavier; Vives, Eduard; Planes, Antoni

    2017-01-01

    A simple model for the growth of elongated domains (needle-like) during a martensitic phase transition is presented. The model is purely geometric and the only interactions are due to the sequentiality of the kinetic problem and to the excluded volume, since domains cannot retransform back to the original phase. Despite this very simple interaction, numerical simulations show that the final observed microstructure can be described as being a consequence of dipolar-like interactions. The model is analytically solved in 2D for the case in which two symmetry related domains can grow in the horizontal and vertical directions. It is remarkable that the solution is analytic both for a finite system of size L ×L and in the thermodynamic limit L →∞ , where the elongated domains become lines. Results prove the existence of criticality, i.e., that the domain sizes observed in the final microstructure show a power-law distribution characterized by a critical exponent. The exponent, nevertheless, depends on the relative probabilities of the different equivalent variants. The results provide a plausible explanation of the weak universality of the critical exponents measured during martensitic transformations in metallic alloys. Experimental exponents show a monotonous dependence with the number of equivalent variants that grow during the transition.

  2. Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces

    SciTech Connect

    White, Alexander James; Tretiak, Sergei; Mozyrsky, Dima V.

    2016-04-25

    Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Heller's thawed Gaussian wave-packet dynamics that includes coupling between potential energy surfaces. By studying several standard test problems we demonstrate that the accuracy of the method can be systematically improved while maintaining high efficiency. The method is suitable for investigating the role of quantum coherence in the non-adiabatic dynamics of many-atom molecules.

  3. Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces

    DOE PAGES

    White, Alexander James; Tretiak, Sergei; Mozyrsky, Dima V.

    2016-04-25

    Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Heller's thawed Gaussian wave-packet dynamics that includes coupling between potential energy surfaces. By studying several standard test problems we demonstrate that the accuracy of the method can be systematically improved while maintaining high efficiency. The method is suitablemore » for investigating the role of quantum coherence in the non-adiabatic dynamics of many-atom molecules.« less

  4. Cavity QED implementation of non-adiabatic holonomies for universal quantum gates in decoherence-free subspaces with nitrogen-vacancy centers.

    PubMed

    Zhou, Jian; Yu, Wei-Can; Gao, Yu-Mei; Xue, Zheng-Yuan

    2015-06-01

    A cavity QED implementation of the non-adiabatic holonomic quantum computation in decoherence-free subspaces is proposed with nitrogen-vacancy centers coupled commonly to the whispering-gallery mode of a microsphere cavity, where a universal set of quantum gates can be realized on the qubits. In our implementation, with the assistant of the appropriate driving fields, the quantum evolution is insensitive to the cavity field state, which is only virtually excited. The implemented non-adiabatic holonomies, utilizing optical transitions in the Λ type of three-level configuration of the nitrogen-vacancy centers, can be used to construct a universal set of quantum gates on the encoded logical qubits. Therefore, our scheme opens up the possibility of realizing universal holonomic quantum computation with cavity assisted interaction on solid-state spins characterized by long coherence times.

  5. Geometric phase and entanglement of Raman photon pairs in the presence of photonic band gap

    NASA Astrophysics Data System (ADS)

    Berrada, K.; Ooi, C. H. Raymond; Abdel-Khalek, S.

    2015-03-01

    Robustness of the geometric phase (GP) with respect to different noise effects is a basic condition for an effective quantum computation. Here, we propose a useful quantum system with real physical parameters by studying the GP of a pair of Stokes and anti-Stokes photons, involving Raman emission processes with and without photonic band gap (PBG) effect. We show that the properties of GP are very sensitive to the change of the Rabi frequency and time, exhibiting collapse phenomenon as the time becomes significantly large. The system allows us to obtain a state which remains with zero GP for longer times. This result plays a significant role to enhance the stabilization and control of the system dynamics. Finally, we investigate the nonlocal correlation (entanglement) between the pair photons by taking into account the effect of different parameters. An interesting correlation between the GP and entanglement is observed showing that the PBG stabilizes the fluctuations in the system and makes the entanglement more robust against the change of time and frequency.

  6. Geometric phase coded metasurface: from polarization dependent directive electromagnetic wave scattering to diffusion-like scattering

    PubMed Central

    Chen, Ke; Feng, Yijun; Yang, Zhongjie; Cui, Li; Zhao, Junming; Zhu, Bo; Jiang, Tian

    2016-01-01

    Ultrathin metasurface compromising various sub-wavelength meta-particles offers promising advantages in controlling electromagnetic wave by spatially manipulating the wavefront characteristics across the interface. The recently proposed digital coding metasurface could even simplify the design and optimization procedures due to the digitalization of the meta-particle geometry. However, current attempts to implement the digital metasurface still utilize several structural meta-particles to obtain certain electromagnetic responses, and requiring time-consuming optimization especially in multi-bits coding designs. In this regard, we present herein utilizing geometric phase based single structured meta-particle with various orientations to achieve either 1-bit or multi-bits digital metasurface. Particular electromagnetic wave scattering patterns dependent on the incident polarizations can be tailored by the encoded metasurfaces with regular sequences. On the contrast, polarization insensitive diffusion-like scattering can also been successfully achieved by digital metasurface encoded with randomly distributed coding sequences leading to substantial suppression of backward scattering in a broadband microwave frequency. The proposed digital metasurfaces provide simple designs and reveal new opportunities for controlling electromagnetic wave scattering with or without polarization dependence. PMID:27775064

  7. Geometric phase coded metasurface: from polarization dependent directive electromagnetic wave scattering to diffusion-like scattering

    NASA Astrophysics Data System (ADS)

    Chen, Ke; Feng, Yijun; Yang, Zhongjie; Cui, Li; Zhao, Junming; Zhu, Bo; Jiang, Tian

    2016-10-01

    Ultrathin metasurface compromising various sub-wavelength meta-particles offers promising advantages in controlling electromagnetic wave by spatially manipulating the wavefront characteristics across the interface. The recently proposed digital coding metasurface could even simplify the design and optimization procedures due to the digitalization of the meta-particle geometry. However, current attempts to implement the digital metasurface still utilize several structural meta-particles to obtain certain electromagnetic responses, and requiring time-consuming optimization especially in multi-bits coding designs. In this regard, we present herein utilizing geometric phase based single structured meta-particle with various orientations to achieve either 1-bit or multi-bits digital metasurface. Particular electromagnetic wave scattering patterns dependent on the incident polarizations can be tailored by the encoded metasurfaces with regular sequences. On the contrast, polarization insensitive diffusion-like scattering can also been successfully achieved by digital metasurface encoded with randomly distributed coding sequences leading to substantial suppression of backward scattering in a broadband microwave frequency. The proposed digital metasurfaces provide simple designs and reveal new opportunities for controlling electromagnetic wave scattering with or without polarization dependence.

  8. Geometric phase and entanglement of Raman photon pairs in the presence of photonic band gap

    SciTech Connect

    Berrada, K.; Ooi, C. H. Raymond; Abdel-Khalek, S.

    2015-03-28

    Robustness of the geometric phase (GP) with respect to different noise effects is a basic condition for an effective quantum computation. Here, we propose a useful quantum system with real physical parameters by studying the GP of a pair of Stokes and anti-Stokes photons, involving Raman emission processes with and without photonic band gap (PBG) effect. We show that the properties of GP are very sensitive to the change of the Rabi frequency and time, exhibiting collapse phenomenon as the time becomes significantly large. The system allows us to obtain a state which remains with zero GP for longer times. This result plays a significant role to enhance the stabilization and control of the system dynamics. Finally, we investigate the nonlocal correlation (entanglement) between the pair photons by taking into account the effect of different parameters. An interesting correlation between the GP and entanglement is observed showing that the PBG stabilizes the fluctuations in the system and makes the entanglement more robust against the change of time and frequency.

  9. Fabrication of thermal-resistant gratings for high-temperature measurements using geometric phase analysis

    NASA Astrophysics Data System (ADS)

    Zhang, Q.; Liu, Z.; Xie, H.; Ma, K.; Wu, L.

    2016-12-01

    Grating fabrication techniques are crucial to the success of grating-based deformation measurement methods because the quality of the grating will directly affect the measurement results. Deformation measurements at high temperatures entail heating and, perhaps, oxidize the grating. The contrast of the grating lines may change during the heating process. Thus, the thermal-resistant capability of the grating becomes a point of great concern before taking measurements. This study proposes a method that combines a laser-engraving technique with the processes of particle spraying and sintering for fabricating thermal-resistant gratings. The grating fabrication technique is introduced and discussed in detail. A numerical simulation with a geometric phase analysis (GPA) is performed for a homogeneous deformation case. Then, the selection scheme of the grating pitch is suggested. The validity of the proposed technique is verified by fabricating a thermal-resistant grating on a ZrO2 specimen and measuring its thermal strain at high temperatures (up to 1300 °C). Images of the grating before and after deformation are used to obtain the thermal-strain field by GPA and to compare the results with well-established reference data. The experimental results indicate that this proposed technique is feasible and will offer good prospects for further applications.

  10. Molecular level crossing and the geometric phase effect from the optical Hanle perspective

    NASA Astrophysics Data System (ADS)

    Glenn, R.; Dantus, M.

    2016-04-01

    Level-crossing spectroscopy involves lifting the degeneracy of an excited state and using the interference of two nearly degenerate levels to measure the excited-state lifetime. Here we use the idea of interference between different pathways to study the momentum-dependent wave-packet lifetime due an excited-state level crossing (conical intersection) in a molecule. Changes in population from the wave-packet propagation are reflected in the detected fluorescence. We use a chirped pulse to control the wave-packet momentum. Increasing the chirp rate increases the transition to the lower state through the conical intersection. It also increases the interference of different pathways in the upper electronic state due to the geometric phase acquired. Therefore, increasing the chirp rate decreases the population of the upper electronic state and its fluorescence yield. This suggests that there is a finite momentum-dependent lifetime of the wave packet through the level crossing as a function of chirp. We dub this lifetime the wave-packet-momentum lifetime.

  11. Modified geometrical optics of a smoothly inhomogeneous isotropic medium: the anisotropy, Berry phase, and the optical Magnus effect.

    PubMed

    Bliokh, K Yu; Bliokh, Yu P

    2004-08-01

    We present a modification of the geometrical optics method, which allows one to properly separate the complex amplitude and the phase of the wave solution. Appling this modification to a smoothly inhomogeneous isotropic medium, we show that in the first geometrical optics approximation the medium is weakly anisotropic. The refractive index, being dependent on the direction of the wave vector, contains the correction, which is proportional to the Berry geometric phase. Two independent eigenmodes of right-hand and left-hand circular polarizations exist in the medium. Their group velocities and phase velocities differ. The difference in the group velocities results in the shift of the rays of different polarizations (the optical Magnus effect). The difference in the phase velocities causes an increase of the Berry phase along with the interference of two modes leading to the familiar Rytov law about the rotation of the polarization plane of a wave. The theory developed suggests that both the optical Magnus effect and the Berry phase are accompanying nonlocal topological effects. In this paper the Hamilton ray equations giving a unified description for both of these phenomena have been derived and also a novel splitting effect for a ray of noncircular polarization has been predicted. Specific examples are also discussed.

  12. Non-adiabatic couplings and dynamics in proton transfer reactions of Hn+ systems: application to H2+H2+→H+H3+ collisions

    PubMed Central

    Sanz-Sanz, Cristina; Aguado, Alfredo; Roncero, Octavio; Naumkin, Fedor

    2016-01-01

    Analytical derivatives and non-adiabatic coupling matrix elements are derived for Hn+ systems (n=3, 4 and 5). The method uses a generalized Hellmann-Feynman theorem applied to a multi-state description based on diatomics-in-molecules (for H3+) or triatomics-in-molecules (for H4+ and H5+) formalisms, corrected with a permutationally invariant many-body term to get high accuracy. The analytical non-adiabatic coupling matrix elements are compared with ab initio calculations performed at multi-reference configuration interaction level. These magnitudes are used to calculate H2(v′=0,j′=0)+H2+(v,j=0) collisions, to determine the effect of electronic transitions using a molecular dynamics method with electronic transitions. Cross sections for several initial vibrational states of H2+ are calculated and compared with the available experimental data, yielding an excellent agreement. The effect of vibrational excitation of H2+ reactant, and its relation with non-adiabatic processes are discussed. Also, the behavior at low collisional energies, in the 1 meV-0.1 eV interval, of interest in astrophysical environments, are discussed in terms of the long range behaviour of the interaction potential which is properly described within the TRIM formalism. PMID:26696058

  13. Transport, geometrical, and topological properties of stealthy disordered hyperuniform two-phase systems.

    PubMed

    Zhang, G; Stillinger, F H; Torquato, S

    2016-12-28

    Disordered hyperuniform many-particle systems have attracted considerable recent attention, since they behave like crystals in the manner in which they suppress large-scale density fluctuations, and yet also resemble statistically isotropic liquids and glasses with no Bragg peaks. One important class of such systems is the classical ground states of "stealthy potentials." The degree of order of such ground states depends on a tuning parameter χ. Previous studies have shown that these ground-state point configurations can be counterintuitively disordered, infinitely degenerate, and endowed with novel physical properties (e.g., negative thermal expansion behavior). In this paper, we focus on the disordered regime (0 < χ < 1/2) in which there is no long-range order and control the degree of short-range order. We map these stealthy disordered hyperuniform point configurations to two-phase media by circumscribing each point with a possibly overlapping sphere of a common radius a: the "particle" and "void" phases are taken to be the space interior and exterior to the spheres, respectively. The hyperuniformity of such two-phase media depends on the sphere sizes: While it was previously analytically proven that the resulting two-phase media maintain hyperuniformity if spheres do not overlap, here we show numerically that they lose hyperuniformity whenever the spheres overlap. We study certain transport properties of these systems, including the effective diffusion coefficient of point particles diffusing in the void phase as well as static and time-dependent characteristics associated with diffusion-controlled reactions. Besides these effective transport properties, we also investigate several related structural properties, including pore-size functions, quantizer error, an order metric, and percolation thresholds. We show that these transport, geometrical, and topological properties of our two-phase media derived from decorated stealthy ground states are distinctly

  14. Tunable Spin dependent beam shift by simultaneously tailoring geometric and dynamical phases of light in inhomogeneous anisotropic medium

    NASA Astrophysics Data System (ADS)

    Pal, Mandira; Banerjee, Chitram; Chandel, Shubham; Bag, Ankan; Majumder, Shovan K.; Ghosh, Nirmalya

    2016-12-01

    Spin orbit interaction and the resulting Spin Hall effect of light are under recent intensive investigations because of their fundamental nature and potential applications. Here, we report an interesting manifestation of spin Hall effect of light and demonstrate its tunability in an inhomogeneous anisotropic medium exhibiting spatially varying retardance level. In our system, the beam shift occurs only for one circular polarization mode keeping the other orthogonal mode unaffected, which is shown to arise due to the combined spatial gradients of the geometric phase and the dynamical phase of light. The constituent two orthogonal circular polarization modes of an input linearly polarized light evolve in different trajectories, eventually manifesting as a large and tunable spin separation. The spin dependent beam shift and the demonstrated principle of simultaneously tailoring space-varying geometric and dynamical phase of light for achieving its tunability (of both magnitude and direction), may provide an attractive route towards development of spin-optical devices.

  15. Geometric phase of an accelerated two-level atom in the presence of a perfectly reflecting plane boundary

    SciTech Connect

    Zhai, Hua; Zhang, Jialin; Yu, Hongwei

    2016-08-15

    We study the geometric phase of a uniformly accelerated two-level atom coupled with vacuum fluctuations of electromagnetic fields in the presence of a perfectly reflecting plane. We find that the geometric phase difference between the accelerated and inertial atoms which can be observed by atom interferometry crucially depends on the polarizability of the atom and the distance to the boundary and it can be dramatically manipulated with anisotropically polarizable atoms. In particular, extremely close to the boundary, the phase difference can be increased by two times as compared to the case without any boundary. So, the detectability of the effects associated with acceleration using an atom interferometer can be significantly increased by the presence of a boundary using atoms with anisotropic polarizability.

  16. Tunable Spin dependent beam shift by simultaneously tailoring geometric and dynamical phases of light in inhomogeneous anisotropic medium.

    PubMed

    Pal, Mandira; Banerjee, Chitram; Chandel, Shubham; Bag, Ankan; Majumder, Shovan K; Ghosh, Nirmalya

    2016-12-22

    Spin orbit interaction and the resulting Spin Hall effect of light are under recent intensive investigations because of their fundamental nature and potential applications. Here, we report an interesting manifestation of spin Hall effect of light and demonstrate its tunability in an inhomogeneous anisotropic medium exhibiting spatially varying retardance level. In our system, the beam shift occurs only for one circular polarization mode keeping the other orthogonal mode unaffected, which is shown to arise due to the combined spatial gradients of the geometric phase and the dynamical phase of light. The constituent two orthogonal circular polarization modes of an input linearly polarized light evolve in different trajectories, eventually manifesting as a large and tunable spin separation. The spin dependent beam shift and the demonstrated principle of simultaneously tailoring space-varying geometric and dynamical phase of light for achieving its tunability (of both magnitude and direction), may provide an attractive route towards development of spin-optical devices.

  17. Tunable Spin dependent beam shift by simultaneously tailoring geometric and dynamical phases of light in inhomogeneous anisotropic medium

    PubMed Central

    Pal, Mandira; Banerjee, Chitram; Chandel, Shubham; Bag, Ankan; Majumder, Shovan K.; Ghosh, Nirmalya

    2016-01-01

    Spin orbit interaction and the resulting Spin Hall effect of light are under recent intensive investigations because of their fundamental nature and potential applications. Here, we report an interesting manifestation of spin Hall effect of light and demonstrate its tunability in an inhomogeneous anisotropic medium exhibiting spatially varying retardance level. In our system, the beam shift occurs only for one circular polarization mode keeping the other orthogonal mode unaffected, which is shown to arise due to the combined spatial gradients of the geometric phase and the dynamical phase of light. The constituent two orthogonal circular polarization modes of an input linearly polarized light evolve in different trajectories, eventually manifesting as a large and tunable spin separation. The spin dependent beam shift and the demonstrated principle of simultaneously tailoring space-varying geometric and dynamical phase of light for achieving its tunability (of both magnitude and direction), may provide an attractive route towards development of spin-optical devices. PMID:28004825

  18. Accurate potential energy functions, non-adiabatic and spin-orbit couplings in the ZnH(+) system.

    PubMed

    Liang, Guiying; Liu, Xiaoting; Zhang, Xiaomei; Xu, Haifeng; Yan, Bing

    2016-03-05

    A high-level ab initio calculation on the ZnH(+) cation has been carried out with the multi-reference configuration interaction method plus Davison correction (MRCI+Q). The scalar relativistic effect is included by using the Douglas-Kroll-Hess (DKH) method. The calculated potential energy curves (PECs) of the 7 Λ-S states are associated with the dissociation limits of Zn(+)((2)Sg)+H((2)Sg), Zn((1)Sg)+H(+)((1)Sg), and Zn(+)((2)Pu)+H((2)Sg), respectively (The Λ-S state is labeled as (2S+1)Λ, in which Λ is the quantum number for the projection along the internuclear axis of the total electronic orbital angular momentum and S is the total electron spin). The spectroscopic constants of the bound states are determined and in good agreement with the available theoretical and experimental results. The permanent dipole moments (PDMs) of Λ-S states and the spin-orbit (SO) matrix elements between Λ-S states are also computed. The results show that the abrupt changes of the PDMs and SO matrix elements come into being for the reason of the avoided crossing between the states with the same symmetry. In addition, the non-adiabatic couplings matrix elements between Λ-S states are also evaluated. Finally, the spin-orbit couplings (SOCs) for the low-lying states are considered with Breit-Pauli operator. The SOC effect makes the 7 Λ-S states of the ZnH(+) cation split into 12 Ω states (Ω=Λ+Sz, in which Sz is projection of the total electron spin S along the internuclear Z-axis). For the (3)0(+) state, the two energy minima exhibit in the potential, which could be attributed to the formation of the new avoided crossing point. The transition dipole moments (TDMs), Franck-Condon factors, and the radiative lifetimes of the selected transitions (2)0(+)-X0(+), (3)0(+)-X0(+), (2)1-X0(+) and (3)1-X0(+) have been reported.

  19. Accurate potential energy functions, non-adiabatic and spin-orbit couplings in the ZnH+ system

    NASA Astrophysics Data System (ADS)

    Liang, Guiying; Liu, Xiaoting; Zhang, Xiaomei; Xu, Haifeng; Yan, Bing

    2016-03-01

    A high-level ab initio calculation on the ZnH+ cation has been carried out with the multi-reference configuration interaction method plus Davison correction (MRCI + Q). The scalar relativistic effect is included by using the Douglas-Kroll-Hess (DKH) method. The calculated potential energy curves (PECs) of the 7 Λ-S states are associated with the dissociation limits of Zn+(2Sg) + H(2Sg), Zn(1Sg) + H+(1Sg), and Zn+(2Pu) + H(2Sg), respectively (The Λ-S state is labeled as 2S + 1Λ, in which Λ is the quantum number for the projection along the internuclear axis of the total electronic orbital angular momentum and S is the total electron spin). The spectroscopic constants of the bound states are determined and in good agreement with the available theoretical and experimental results. The permanent dipole moments (PDMs) of Λ-S states and the spin-orbit (SO) matrix elements between Λ-S states are also computed. The results show that the abrupt changes of the PDMs and SO matrix elements come into being for the reason of the avoided crossing between the states with the same symmetry. In addition, the non-adiabatic couplings matrix elements between Λ-S states are also evaluated. Finally, the spin-orbit couplings (SOCs) for the low-lying states are considered with Breit-Pauli operator. The SOC effect makes the 7 Λ-S states of the ZnH+ cation split into 12 Ω states (Ω = Λ + Sz, in which Sz is projection of the total electron spin S along the internuclear Z-axis). For the (3)0+ state, the two energy minima exhibit in the potential, which could be attributed to the formation of the new avoided crossing point. The transition dipole moments (TDMs), Franck-Condon factors, and the radiative lifetimes of the selected transitions (2)0+-X0+, (3)0+-X0+, (2)1-X0+ and (3)1-X0+ have been reported.

  20. Geometric Phase, Zeeman, and Optical Effects in the Excitation of Lead Fluoride and Kryptonite

    NASA Astrophysics Data System (ADS)

    Rupasinghe, Priyanka Milinda

    2011-12-01

    This dissertation is motivated by two major challenges in modern Physics. One is related to precession measurement and other is related to atmospheric science. The amount of CP violation (equivalently time reversal (T) symmetry violation) that occurs in the Standard Model, the most successful theory in the particle physics today, is not sufficient to explain why we live in a matter (rather than anti-matter) dominated universe. A measurable electric dipole moment of the electron (e-EDM) proportional to its spin may help to unravel this matter anti-matter mystery and could point the way to physics beyond the Standard Model. As an e-EDM probe, both cold molecular trap and molecular beam techniques have been proposed. In this thesis we show that the geometric phase effect limits the viability of a cold molecular trap technique. Specifically we show the molecular trap method can not be employed for PbF until the technology is available to cool down molecules to ultra cold temperatures. This thesis also addresses two major difficulties that need to be overcome in order to carry out a molecular beam e-EDM measurement. One of these difficulties is that background magnetic fields mimic the e-EDM. For this reason, molecules with small magnetic g-factors greatly reduce the background due to this effect. In this dissertation investigation of the Zeeman structure of the PbF molecule including state dependent g-factor measurements are determined through extensive analysis of microwave spectroscopy. The other major difficulty addressed in this thesis is the requirement to create a highly uniform electric field that can be reversed in a precise and consistent manner. Specifically we describe a precise high voltage control and switching system that has been built. Isotopic detection of Krypton has many important applications including archaeological dating beyond that possible using ^{14}C and nuclear activitymonitoring all around the world. It has been shown that laser cooling and

  1. Phase contrast imaging X-ray computed tomography: quantitative characterization of human patellar cartilage matrix with topological and geometrical features

    NASA Astrophysics Data System (ADS)

    Nagarajan, Mahesh B.; Coan, Paola; Huber, Markus B.; Diemoz, Paul C.; Wismüller, Axel

    2014-03-01

    Current assessment of cartilage is primarily based on identification of indirect markers such as joint space narrowing and increased subchondral bone density on x-ray images. In this context, phase contrast CT imaging (PCI-CT) has recently emerged as a novel imaging technique that allows a direct examination of chondrocyte patterns and their correlation to osteoarthritis through visualization of cartilage soft tissue. This study investigates the use of topological and geometrical approaches for characterizing chondrocyte patterns in the radial zone of the knee cartilage matrix in the presence and absence of osteoarthritic damage. For this purpose, topological features derived from Minkowski Functionals and geometric features derived from the Scaling Index Method (SIM) were extracted from 842 regions of interest (ROI) annotated on PCI-CT images of healthy and osteoarthritic specimens of human patellar cartilage. The extracted features were then used in a machine learning task involving support vector regression to classify ROIs as healthy or osteoarthritic. Classification performance was evaluated using the area under the receiver operating characteristic (ROC) curve (AUC). The best classification performance was observed with high-dimensional geometrical feature vectors derived from SIM (0.95 ± 0.06) which outperformed all Minkowski Functionals (p < 0.001). These results suggest that such quantitative analysis of chondrocyte patterns in human patellar cartilage matrix involving SIM-derived geometrical features can distinguish between healthy and osteoarthritic tissue with high accuracy.

  2. Geometric phase and o-mode blueshift in a chiral anisotropic medium inside a Fabry-Pérot cavity.

    PubMed

    Timofeev, Ivan V; Gunyakov, Vladimir A; Sutormin, Vitaly S; Myslivets, Sergey A; Arkhipkin, Vasily G; Vetrov, Stepan Ya; Lee, Wei; Zyryanov, Victor Ya

    2015-11-01

    Anomalous spectral shift of transmission peaks is observed in a Fabry-Pérot cavity filled with a chiral anisotropic medium. The effective refractive index value resides out of the interval between the ordinary and the extraordinary refractive indices. The spectral shift is explained by contribution of a geometric phase. The problem is solved analytically using the approximate Jones matrix method, numerically using the accurate Berreman method, and geometrically using the generalized Mauguin-Poincaré rolling cone method. The o-mode blueshift is measured for a 4-methoxybenzylidene-4'-n-butylaniline twisted-nematic layer inside the Fabry-Pérot cavity. The twist is electrically induced due to the homeoplanar-twisted configuration transition in an ionic-surfactant-doped liquid crystal layer. Experimental evidence confirms the validity of the theoretical model.

  3. Geometric phase and o -mode blueshift in a chiral anisotropic medium inside a Fabry-Pérot cavity

    NASA Astrophysics Data System (ADS)

    Timofeev, Ivan V.; Gunyakov, Vladimir A.; Sutormin, Vitaly S.; Myslivets, Sergey A.; Arkhipkin, Vasily G.; Vetrov, Stepan Ya.; Lee, Wei; Zyryanov, Victor Ya.

    2015-11-01

    Anomalous spectral shift of transmission peaks is observed in a Fabry-Pérot cavity filled with a chiral anisotropic medium. The effective refractive index value resides out of the interval between the ordinary and the extraordinary refractive indices. The spectral shift is explained by contribution of a geometric phase. The problem is solved analytically using the approximate Jones matrix method, numerically using the accurate Berreman method, and geometrically using the generalized Mauguin-Poincaré rolling cone method. The o -mode blueshift is measured for a 4-methoxybenzylidene-4 '-n -butylaniline twisted-nematic layer inside the Fabry-Pérot cavity. The twist is electrically induced due to the homeoplanar-twisted configuration transition in an ionic-surfactant-doped liquid crystal layer. Experimental evidence confirms the validity of the theoretical model.

  4. Self-calibrating generalized phase-shifting interferometry of three phase-steps based on geometric concept of volume enclosed by a surface

    NASA Astrophysics Data System (ADS)

    Meneses-Fabian, Cruz

    2016-12-01

    This paper presents a non-iterative, fast, and simple algorithm for phase retrieval, in phase-shifting interferometry of three unknown and unequal phase-steps, based on the geometric concept of the volume enclosed by a surface. This approach can be divided in three stages; first the background is eliminated by the subtraction of two interferograms, for obtaining a secondary pattern; second, a surface is built by the product of two secondary patterns and the volume enclosed by this surface is computed; and third, the ratio between two enclosed volumes is approximated to a constant that depends on the phase-steps, with which a system of equations is established, and its solution allows the measurement of the phase-steps to be obtained. Additional advantages of this approach are its immunity to noise, and its capacity to support high spatial variations in the illumination. This approach is theoretically described and is numerically and experimentally verified.

  5. Non-cyclic Geometric Phase In Stochastic Processes: Corrections To Michaelis-menten Kinetics And Applications To A Cell Growth Model

    SciTech Connect

    Sinitsyn, Nikolai A

    2008-01-01

    We generalize the concept of the geometric phase in stochastic kinetics to a noncyclic evolution. Its application is demonstrated on kinetics of the Michaelis-Menten reaction. It is shown that the noncyclic geometric phase is responsible for the correction to the Michaelis-Menten law when parameters, such as a substrate concentration, are changing with time. We also discuss a model, where this correction qualitatively changes the outcome of reaction kinetics.

  6. Competing Ferri- and Antiferromagnetic Phases in Geometrically Frustrated LuFe2O4

    SciTech Connect

    De Groot, J.; Marty, Karol J; Lumsden, Mark D; Christianson, Andrew D; Nagler, Stephen E; Adiga, Shilpa; Borghols, Wouter; Schmalzl, Karin; Yamani, Z.; Bland, S. R.; de Souza, R.; Staub, U.; Schweika, Werner; Su, Y.; Angst, Manuel

    2012-01-01

    We present a detailed study of magnetism in LuFe2O4, combining magnetization measurements with neutron and soft x-ray diffraction. The magnetic phase diagram in the vicinity of TN involves a metamagnetic transition separating an antiferro- and a ferrimagnetic phase. For both phases the spin structure is refined by neutron diffraction. Observed diffuse magnetic scattering far above TN is explained in terms of near degeneracy of the magnetic phases.

  7. Volumetric quantitative characterization of human patellar cartilage with topological and geometrical features on phase contrast x-ray computed tomography

    PubMed Central

    Nagarajan, Mahesh B.; Coan, Paola; Huber, Markus B.; Diemoz, Paul C.; Wismüller, Axel

    2015-01-01

    Phase contrast X-ray computed tomography (PCI-CT) has attracted significant interest in recent years for its ability to provide significantly improved image contrast in low absorbing materials such as soft biological tissue. In the research context of cartilage imaging, previous studies have demonstrated the ability of PCI-CT to visualize structural details of human patellar cartilage matrix and capture changes to chondrocyte organization induced by osteoarthritis. This study evaluates the use of geometrical and topological features for volumetric characterization of such chondrocyte patterns in the presence (or absence) of osteoarthritic damage. Geometrical features derived from the scaling index method (SIM) and topological features derived from Minkowski Functionals were extracted from 1392 volumes of interest (VOI) annotated on PCI-CT images of ex vivo human patellar cartilage specimens. These features were subsequently used in a machine learning task with support vector regression to classify VOIs as healthy or osteoarthritic; classification performance was evaluated using the area under the receiver-operating characteristic (ROC) curve (AUC). Our results show that the classification performance of SIM-derived geometrical features (AUC: 0.90 ± 0.09) significantly outperform Minkowski Functionals volume (AUC: 0.54 ± 0.02), surface (AUC: 0.72 ± 0.06), mean breadth (AUC: 0.74 ± 0.06) and Euler characteristic (AUC: 0.78 ± 0.04) (p < 10−4). These results suggest that such geometrical features can provide a detailed characterization of the chondrocyte organization in the cartilage matrix in an automated manner, while also enabling classification of cartilage as healthy or osteoarthritic with high accuracy. Such features could potentially serve as diagnostic imaging markers for evaluating osteoarthritis progression and its response to different therapeutic intervention strategies. PMID:26142112

  8. Lidar inelastic multiple-scattering parameters of cirrus particle ensembles determined with geometrical-optics crystal phase functions.

    PubMed

    Reichardt, J; Hess, M; Macke, A

    2000-04-20

    Multiple-scattering correction factors for cirrus particle extinction coefficients measured with Raman and high spectral resolution lidars are calculated with a radiative-transfer model. Cirrus particle-ensemble phase functions are computed from single-crystal phase functions derived in a geometrical-optics approximation. Seven crystal types are considered. In cirrus clouds with height-independent particle extinction coefficients the general pattern of the multiple-scattering parameters has a steep onset at cloud base with values of 0.5-0.7 followed by a gradual and monotonic decrease to 0.1-0.2 at cloud top. The larger the scattering particles are, the more gradual is the rate of decrease. Multiple-scattering parameters of complex crystals and of imperfect hexagonal columns and plates can be well approximated by those of projected-area equivalent ice spheres, whereas perfect hexagonal crystals show values as much as 70% higher than those of spheres. The dependencies of the multiple-scattering parameters on cirrus particle spectrum, base height, and geometric depth and on the lidar parameters laser wavelength and receiver field of view, are discussed, and a set of multiple-scattering parameter profiles for the correction of extinction measurements in homogeneous cirrus is provided.

  9. Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment.

    PubMed

    Benabbas, Abdelkrim; Salna, Bridget; Sage, J Timothy; Champion, Paul M

    2015-03-21

    Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical "gating" distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near

  10. Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: Comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment

    SciTech Connect

    Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy; Champion, Paul M.

    2015-03-21

    Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical “gating” distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working

  11. Ab - initio non-adiabatic couplings among three lowest singlet states of H3 +: Construction of multisheeted diabatic potential energy surfaces

    NASA Astrophysics Data System (ADS)

    Mukherjee, Bijit; Mukherjee, Saikat; Adhikari, Satrajit

    2016-10-01

    We calculate the adiabatic potential energy surfaces and non-adiabatic interactions among the three lowest singlet states (11 A', 21 A' and 31 A') of H3 + in hyperspherical coordinates for a fixed hyperradius, ρ = 9 bohr as functions of hyperangles, θ (0 < θ < 90°) and ϕ (0 < ϕ < 360°). All ab initio calculations are performed using MRCI level of methodology implemented in quantum chemistry package, MOLPRO. The ground (11 A') and the first excited (21 A') states exhibit several conical intersections as functions of ϕ for θ > 70°. Subsequently, we carry out adiabatic to diabatic transformation (ADT) to obtain ADT angles for constructing single-valued, continuous, smooth and symmetric 3 × 3 diabatic potential energy matrix to perform accurate scattering calculations.

  12. Non-adiabatic molecular dynamics investigation of photoionization state formation and lifetime in Mn²⁺-doped ZnO quantum dots.

    PubMed

    Fischer, Sean A; Lingerfelt, David B; May, Joseph W; Li, Xiaosong

    2014-09-07

    The unique electronic structure of Mn(2+)-doped ZnO quantum dots gives rise to photoionization states that can be used to manipulate the magnetic state of the material and to generate zero-reabsorption luminescence. Fast formation and long non-radiative decay of this photoionization state is a necessary requirement for these important applications. In this work, surface hopping based non-adiabatic molecular dynamics are used to demonstrate the fast formation of a metal-to-ligand charge transfer state in a Mn(2+)-doped ZnO quantum dot. The formation occurs on an ultrafast timescale and is aided by the large density of states and significant mixing of the dopant Mn(2+) 3dt2 levels with the valence-band levels of the ZnO lattice. The non-radiative lifetime of the photoionization states is also investigated.

  13. Practical approximation of the non-adiabatic coupling terms for same-symmetry interstate crossings by using adiabatic potential energies only

    NASA Astrophysics Data System (ADS)

    Baeck, Kyoung Koo; An, Heesun

    2017-02-01

    A very simple equation, Fij A p p=[(∂2(Via-Vja ) /∂Q2 ) /(Via-Vja ) ] 1 /2/2 , giving a reliable magnitude of non-adiabatic coupling terms (NACTs, Fij's) based on adiabatic potential energies only (Via and Vja) was discovered, and its reliability was tested for several prototypes of same-symmetry interstate crossings in LiF, C2, NH3Cl, and C6H5SH molecules. Our theoretical derivation starts from the analysis of the relationship between the Lorentzian dependence of NACTs along a diabatization coordinate and the well-established linear vibronic coupling scheme. This analysis results in a very simple equation, α =2 κ /Δc , enabling the evaluation of the Lorentz function α parameter in terms of the coupling constant κ and the energy gap Δc (Δc=|Via-Vja| Q c ) between adiabatic states at the crossing point QC. Subsequently, it was shown that QC corresponds to the point where Fij A p p exhibit maximum values if we set the coupling parameter as κ =[(Via-Vja ) ṡ(∂2(Via-Vja ) /∂Q2 ) ] Qc1 /2 /2 . Finally, we conjectured that this relation could give reasonable values of NACTs not only at the crossing point but also at other geometries near QC. In this final approximation, the pre-defined crossing point QC is not required. The results of our test demonstrate that the approximation works much better than initially expected. The present new method does not depend on the selection of an ab initio method for adiabatic electronic states but is currently limited to local non-adiabatic regions where only two electronic states are dominantly involved within a nuclear degree of freedom.

  14. Spin-Label CW Microwave Power Saturation and Rapid Passage with Triangular Non-Adiabatic Rapid Sweep (NARS) and Adiabatic Rapid Passage (ARP) EPR Spectroscopy

    PubMed Central

    Kittell, Aaron W.; Hyde, James S.

    2015-01-01

    Non-adiabatic rapid passage (NARS) electron paramagnetic resonance (EPR) spectroscopy was introduced by Kittell, A.W., Camenisch, T.G., Ratke, J.J. Sidabras, J.W., Hyde, J.S., 2011 as a general purpose technique to collect the pure absorption response. The technique has been used to improve sensitivity relative to sinusoidal magnetic field modulation, increase the range of inter-spin distances that can be measured under near physiological conditions, and enhance spectral resolution in copper (II) spectra. In the present work, the method is extended to CW microwave power saturation of spin-labeled T4 Lysozyme (T4L). As in the cited papers, rapid triangular sweep of the polarizing magnetic field was superimposed on slow sweep across the spectrum. Adiabatic rapid passage (ARP) effects were encountered in samples undergoing very slow rotational diffusion as the triangular magnetic field sweep rate was increased. The paper reports results of variation of experimental parameters at the interface of adiabatic and non-adiabatic rapid sweep conditions. Comparison of the forward (up) and reverse (down) triangular sweeps is shown to be a good indicator of the presence of rapid passage effects. Spectral turning points can be distinguished from spectral regions between turning points in two ways: differential microwave power saturation and differential passage effects. Oxygen accessibility data are shown under NARS conditions that appear similar to conventional field modulation data. However, the sensitivity is much higher, permitting, in principle, experiments at substantially lower protein concentrations. Spectral displays were obtained that appear sensitive to rotational diffusion in the range of rotational correlation times of 10−3 to 10−7 s in a manner that is analogous to saturation transfer spectroscopy. PMID:25917132

  15. Spin-label CW microwave power saturation and rapid passage with triangular non-adiabatic rapid sweep (NARS) and adiabatic rapid passage (ARP) EPR spectroscopy.

    PubMed

    Kittell, Aaron W; Hyde, James S

    2015-06-01

    Non-adiabatic rapid passage (NARS) electron paramagnetic resonance (EPR) spectroscopy was introduced by Kittell et al. (2011) as a general purpose technique to collect the pure absorption response. The technique has been used to improve sensitivity relative to sinusoidal magnetic field modulation, increase the range of inter-spin distances that can be measured under near physiological conditions (Kittell et al., 2012), and enhance spectral resolution in copper (II) spectra (Hyde et al., 2013). In the present work, the method is extended to CW microwave power saturation of spin-labeled T4 Lysozyme (T4L). As in the cited papers, rapid triangular sweep of the polarizing magnetic field was superimposed on slow sweep across the spectrum. Adiabatic rapid passage (ARP) effects were encountered in samples undergoing very slow rotational diffusion as the triangular magnetic field sweep rate was increased. The paper reports results of variation of experimental parameters at the interface of adiabatic and non-adiabatic rapid sweep conditions. Comparison of the forward (up) and reverse (down) triangular sweeps is shown to be a good indicator of the presence of rapid passage effects. Spectral turning points can be distinguished from spectral regions between turning points in two ways: differential microwave power saturation and differential passage effects. Oxygen accessibility data are shown under NARS conditions that appear similar to conventional field modulation data. However, the sensitivity is much higher, permitting, in principle, experiments at substantially lower protein concentrations. Spectral displays were obtained that appear sensitive to rotational diffusion in the range of rotational correlation times of 10(-3) to 10(-7) s in a manner that is analogous to saturation transfer spectroscopy.

  16. Geometric diffusion of quantum trajectories

    PubMed Central

    Yang, Fan; Liu, Ren-Bao

    2015-01-01

    A quantum object can acquire a geometric phase (such as Berry phases and Aharonov–Bohm phases) when evolving along a path in a parameter space with non-trivial gauge structures. Inherent to quantum evolutions of wavepackets, quantum diffusion occurs along quantum trajectories. Here we show that quantum diffusion can also be geometric as characterized by the imaginary part of a geometric phase. The geometric quantum diffusion results from interference between different instantaneous eigenstate pathways which have different geometric phases during the adiabatic evolution. As a specific example, we study the quantum trajectories of optically excited electron-hole pairs in time-reversal symmetric insulators, driven by an elliptically polarized terahertz field. The imaginary geometric phase manifests itself as elliptical polarization in the terahertz sideband generation. The geometric quantum diffusion adds a new dimension to geometric phases and may have applications in many fields of physics, e.g., transport in topological insulators and novel electro-optical effects. PMID:26178745

  17. Polarization-controlled evolution of light transverse modes and associated Pancharatnam geometric phase in orbital angular momentum

    SciTech Connect

    Karimi, Ebrahim; Marrucci, Lorenzo; Slussarenko, Sergei; Piccirillo, Bruno; Santamato, Enrico

    2010-05-15

    We present an easy, efficient, and fast method to generate arbitrary linear combinations of light orbital angular-momentum eigenstates l={+-}2 starting from a linearly polarized TEM{sub 00} laser beam. The method exploits the spin-to-orbital angular-momentum conversion capability of a liquid-crystal-based q plate and a Dove prism inserted into a Sagnac polarizing interferometer. The nominal generation efficiency is 100%, being limited only by reflection and scattering losses in the optical components. When closed paths are followed on the polarization Poincare sphere of the input beam, the associated Pancharatnam geometric phase is transferred unchanged to the orbital angular momentum state of the output beam.

  18. On a relation of the angular frequency to the Aharonov-Casher geometric phase in a quantum dot

    NASA Astrophysics Data System (ADS)

    Barboza, P. M. T.; Bakke, K.

    2016-09-01

    By analysing the behaviour of a neutral particle with permanent magnetic dipole moment confined to a quantum dot in the presence of a radial electric field, Coulomb-type and linear confining potentials, then, an Aharonov-Bohm-type effect for bound states and a dependence of the angular frequency of the system on the Aharonov-Casher geometric phase and the quantum numbers associated with the radial modes, the angular momentum and the spin are obtained. In particular, the possible values of the angular frequency and the persistent spin currents associated with the ground state are investigated in two different cases.

  19. Quantum Interference, Geometric-phase Effects, and Semiclassical Transport in Quantum Hall Systems at Low Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Huang, Chun-Feng; Tsai, I.-H.

    It is well-established how the quantum interference induces strong localization leading to quantum Hall effect at high enough magnetic fields. Decreasing the magnetic fields, however, the localization strength can be reduced and the semiclassical magneto-oscillations following Shubnikov-de Haas formula appear in most quantum Hall systems. To understand the transport properties as the localization strength becomes weak, our team has investigated the magneto-resistance in some quantum Hall systems at low magnetic fields. Under the semiclassical transport, the crossing points in Hall plateaus showed Landau-band quantization and microwave-induced heating demonstrated the band-edge equivalence important to Landau-level addition transformation. We note that such equivalence is consistent with the edge universality based on the random matrices of Wigner type, and the Landau-band quantization can be explained by considering geometric phase effects. From our study, some quantum Hall features can survive as the semiclassical transport reveals the insufficient localization.

  20. Roaming dynamics in ion-molecule reactions: phase space reaction pathways and geometrical interpretation.

    PubMed

    Mauguière, Frédéric A L; Collins, Peter; Ezra, Gregory S; Farantos, Stavros C; Wiggins, Stephen

    2014-04-07

    A model Hamiltonian for the reaction CH4(+) -> CH3(+) + H, parametrized to exhibit either early or late inner transition states, is employed to investigate the dynamical characteristics of the roaming mechanism. Tight/loose transition states and conventional/roaming reaction pathways are identified in terms of time-invariant objects in phase space. These are dividing surfaces associated with normally hyperbolic invariant manifolds (NHIMs). For systems with two degrees of freedom NHIMS are unstable periodic orbits which, in conjunction with their stable and unstable manifolds, unambiguously define the (locally) non-recrossing dividing surfaces assumed in statistical theories of reaction rates. By constructing periodic orbit continuation/bifurcation diagrams for two values of the potential function parameter corresponding to late and early transition states, respectively, and using the total energy as another parameter, we dynamically assign different regions of phase space to reactants and products as well as to conventional and roaming reaction pathways. The classical dynamics of the system are investigated by uniformly sampling trajectory initial conditions on the dividing surfaces. Trajectories are classified into four different categories: direct reactive and non-reactive trajectories, which lead to the formation of molecular and radical products respectively, and roaming reactive and non-reactive orbiting trajectories, which represent alternative pathways to form molecular and radical products. By analysing gap time distributions at several energies, we demonstrate that the phase space structure of the roaming region, which is strongly influenced by nonlinear resonances between the two degrees of freedom, results in nonexponential (nonstatistical) decay.

  1. Internal phase transition induced by external forces in Finsler geometric model for membranes

    NASA Astrophysics Data System (ADS)

    Koibuchi, Hiroshi; Shobukhov, Andrey

    2016-10-01

    In this paper, we numerically study an anisotropic shape transformation of membranes under external forces for two-dimensional triangulated surfaces on the basis of Finsler geometry. The Finsler metric is defined by using a vector field, which is the tangential component of a three-dimensional unit vector σ corresponding to the tilt or some external macromolecules on the surface of disk topology. The sigma model Hamiltonian is assumed for the tangential component of σ with the interaction coefficient λ. For large (small) λ, the surface becomes oblong (collapsed) at relatively small bending rigidity. For the intermediate λ, the surface becomes planar. Conversely, fixing the surface with the boundary of area A or with the two-point boundaries of distance L, we find that the variable σ changes from random to aligned state with increasing of A or L for the intermediate region of λ. This implies that an internal phase transition for σ is triggered not only by the thermal fluctuations, but also by external mechanical forces. We also find that the frame (string) tension shows the expected scaling behavior with respect to A/N (L/N) at the intermediate region of A (L) where the σ configuration changes between the disordered and ordered phases. Moreover, we find that the string tension γ at sufficiently large λ is considerably smaller than that at small λ. This phenomenon resembles the so-called soft-elasticity in the liquid crystal elastomer, which is deformed by small external tensile forces.

  2. Phased array ultrasonic testing of dissimilar metal welds using geometric based referencing delay law technique

    NASA Astrophysics Data System (ADS)

    Han, Taeyoung; Schubert, Frank; Hillmann, Susanne; Meyendorf, Norbert

    2015-03-01

    Phased array ultrasonic testing (PAUT) techniques are widely used for the non-destructive testing (NDT) of austenitic welds to find defects like cracks. However, the propagation of ultrasound waves through the austenitic material is intricate due to its inhomogeneous and anisotropic nature. Such a characteristic leads beam path distorted which causes the signal to be misinterpreted. By employing a reference block which is cutout from the mockup of which the structure is a dissimilar metal weld (DMW), a new method of PAUT named as Referencing Delay Law Technique (RDLT) is introduced. With the RDLT, full matrix capture (FMC) was used for data acquisition. To reconstruct the images, total focusing method (TFM) was used. After the focal laws were calculated, PAUT was then performed. As a result, the flaws are more precisely positioned with significantly increased signal-to-noise ratio (SNR).

  3. Geometrical optics of beams with vortices: Berry phase and orbital angular momentum Hall effect.

    PubMed

    Bliokh, Konstantin Yu

    2006-07-28

    We consider propagation of a paraxial beam carrying the spin angular momentum (polarization) and intrinsic orbital angular momentum (IOAM) in a smoothly inhomogeneous isotropic medium. It is shown that the presence of IOAM can dramatically enhance and rearrange the topological phenomena that previously were considered solely in connection to the polarization of transverse waves. In particular, the appearance of a new type of Berry phase that describes the parallel transport of the beam structure along a curved ray is predicted. We derive the ray equations demonstrating the splitting of beams with different values of IOAM. This is the orbital angular momentum Hall effect, which resembles the Magnus effect for optical vortices. Unlike the spin Hall effect of photons, it can be much larger in magnitude and is inherent to waves of any nature. Experimental means to detect the phenomena are discussed.

  4. Geometrical Optics of Beams with Vortices: Berry Phase and Orbital Angular Momentum Hall Effect

    SciTech Connect

    Bliokh, Konstantin Yu.

    2006-07-28

    We consider propagation of a paraxial beam carrying the spin angular momentum (polarization) and intrinsic orbital angular momentum (IOAM) in a smoothly inhomogeneous isotropic medium. It is shown that the presence of IOAM can dramatically enhance and rearrange the topological phenomena that previously were considered solely in connection to the polarization of transverse waves. In particular, the appearance of a new type of Berry phase that describes the parallel transport of the beam structure along a curved ray is predicted. We derive the ray equations demonstrating the splitting of beams with different values of IOAM. This is the orbital angular momentum Hall effect, which resembles the Magnus effect for optical vortices. Unlike the spin Hall effect of photons, it can be much larger in magnitude and is inherent to waves of any nature. Experimental means to detect the phenomena are discussed.

  5. Solution of the equations for one-dimensional, two-phase, immiscible flow by geometric methods

    NASA Astrophysics Data System (ADS)

    Ivan, Boronin; Andrey, Shevlyakov

    2016-12-01

    Buckley-Leverett equations describe non viscous, immiscible, two-phase filtration, which is often of interest in modelling of oil production. For many parameters and initial conditions, the solutions of these equations exhibit non-smooth behaviour, namely discontinuities in form of shock waves. In this paper we obtain a novel method for the solution of Buckley-Leverett equations, which is based on geometry of differential equations. This method is fast, accurate, stable, and describes non-smooth phenomena. The main idea of the method is that classic discontinuous solutions correspond to the continuous surfaces in the space of jets - the so-called multi-valued solutions (Bocharov et al., Symmetries and conservation laws for differential equations of mathematical physics. American Mathematical Society, Providence, 1998). A mapping of multi-valued solutions from the jet space onto the plane of the independent variables is constructed. This mapping is not one-to-one, and its singular points form a curve on the plane of the independent variables, which is called the caustic. The real shock occurs at the points close to the caustic and is determined by the Rankine-Hugoniot conditions.

  6. The dynamic and geometric phase transition in the cellular network of pancreatic islet

    NASA Astrophysics Data System (ADS)

    Wang, Xujing

    2013-03-01

    The pancreatic islet is a micro-organ that contains several thousands of endocrine cells, majority of which being the insulin releasing β - cells . - cellsareexcitablecells , andarecoupledtoeachother through gap junctional channels. Here, using percolation theory, we investigate the role of network structure in determining the dynamics of the β-cell network. We show that the β-cell synchronization depends on network connectivity. More specifically, as the site occupancy is reducing, initially the β-cell synchronization is barely affected, until it reaches around a critical value, where the synchronization exhibit a sudden rapid decline, followed by an slow exponential tail. This critical value coincides with the critical site open probability for percolation transition. The dependence over bond strength is similar, exhibiting critical-behavior like dependence around a certain value of bond strength. These results suggest that the β-cell network undergoes a dynamic phase transition when the network is percolated. We further apply the findings to study diabetes. During the development of diabetes, the β - cellnetworkconnectivitydecreases . Siteoccupancyreducesfromthe reducing β-cell mass, and the bond strength is increasingly impaired from β-cell stress and chronic hyperglycemia. We demonstrate that the network dynamics around the percolation transition explain the disease dynamics around onset, including a long time mystery in diabetes, the honeymoon phenomenon.

  7. Generalized Finsler geometric continuum physics with applications in fracture and phase transformations

    NASA Astrophysics Data System (ADS)

    Clayton, J. D.

    2017-02-01

    A theory of deformation of continuous media based on concepts from Finsler differential geometry is presented. The general theory accounts for finite deformations, nonlinear elasticity, and changes in internal state of the material, the latter represented by elements of a state vector of generalized Finsler space whose entries consist of one or more order parameter(s). Two descriptive representations of the deformation gradient are considered. The first invokes an additive decomposition and is applied to problems involving localized inelastic deformation mechanisms such as fracture. The second invokes a multiplicative decomposition and is applied to problems involving distributed deformation mechanisms such as phase transformations or twinning. Appropriate free energy functions are posited for each case, and Euler-Lagrange equations of equilibrium are derived. Solutions are obtained for specific problems of tensile fracture of an elastic cylinder and for amorphization of a crystal under spherical and uniaxial compression. The Finsler-based approach is demonstrated to be more general and potentially more physically descriptive than existing hyperelasticity models couched in Riemannian geometry or Euclidean space, without incorporation of supplementary ad hoc equations or spurious fitting parameters. Predictions for single crystals of boron carbide ceramic agree qualitatively, and in many instances quantitatively, with results from physical experiments and atomic simulations involving structural collapse and failure of the crystal along its c-axis.

  8. The Effects of Non-adiabatic Processes on Near-Earth Plasma Sheet Electrons for Different Substorm-Related Magnetotail Conditions

    NASA Astrophysics Data System (ADS)

    Liang, H.; Ashour-Abdalla, M.; Richard, R. L.; Schriver, D.; El-Alaoui, M.; Walker, R. J.

    2013-12-01

    We investigate the spatial evolution of energetic electron distribution functions in the near-Earth plasma sheet associated with earthward propagating dipolarization fronts by using in situ observations as well as magnetohydrodynamic (MHD) and large scale kinetic (LSK) simulations. We have investigated two substorms, one on February 15, 2008 and the other on August 15, 2001. The February 15 event was observed by one of the THEMIS spacecraft at X_{GSM} -10RE, while the August 15 event was observed by Cluster at X -18RE. Both the MHD and LSK simulation results are compared to these spacecraft observations. Earthward propagating dipolarization fronts are found in both the observations and the MHD simulations, which exhibit very different magnetotail configurations, with contrasting flows, magnetic reconnection configuration, and plasma sheet structure. Electron LSK simulations were performed by using the time-varying magnetic and electric fields from the global MHD simulations. For the February 15, 2008 event, the electrons were launched near X = -20 RE with a thermal energy of 1 keV and for August 15, 2001 event, they were launched at 4 keV near X = -22 RE. These electrons undergo both non-adiabatic acceleration near the magnetotail reconnection region and adiabatic acceleration as they propagate earthward from the launch region. We compute the electron distribution functions parallel and perpendicular to the magnetic field at different locations between X = -18 RE and X = -10 RE in the plasma sheet. We find that for the February 15, 2008 event, reconnection is localized with a narrow region of high-speed flows ( 300 km/s). For this event the distribution functions show mainly f(v_perp) > f(v_par) ("par" and "perp" correspond to parallel and perpendicular to magnetic field). On August 15, 2001, there is a neutral line extending across the tail with relatively low-speed flows ( 100 km/s). For this event the distribution functions show mainly f(v_par) > f(v_perp). The

  9. Spectroscopic signatures of laser-induced non-adiabatic electron dynamics in H 2 +

    NASA Astrophysics Data System (ADS)

    Miller, Michelle; Jaron-Becker, Agnieszka; Becker, Andreas

    2015-05-01

    In this theoretical investigation of molecular high-order harmonic generation, we identify a new mechanism resulting in a spectral minimum and non-odd harmonic generation when H2+is driven at extended internuclear distances (~ 7.0 au) by a mid-infrared laser source (1.4 μm-1.8 μm) of moderate intensity. Manifestation of this minimum is connected to the sub-half-field cycle transient localization of the electron upon alternating nuclear centers. We establish the sensitivity of this feature to driving field parameters, eliminating or increasing the number of minima by reducing the driving wavelength or increasing the laser intensity, respectively. The robustness of the minimum feature to distributions of laser field intensities, internuclear distances and carrier envelope phase is also demonstrated. Supported via the U.S. Department of Energy (Award No. DE-FG02-09ER16103) and the U.S. National Science Foundation (Graduate Research Fellowship, Grant No. PHY-1125844 and No. PHY-1068706).

  10. Structure of the solution of the time-dependent Schrödinger equation, universal existence of the cyclic quantum evolution, and geometric phases

    NASA Astrophysics Data System (ADS)

    Wu, Lian-Ao

    1994-12-01

    It is shown that the cyclic evolution posed by Aharonov and Anandan [Phys. Rev. Lett. 58, 1593 (1987)] universally exists in any quantum system: cyclic evolution occurs for special initial wave functions, whatever the concrete form of the Hamiltonian. The above results are illustrated and some specific geometric phases are given.

  11. Path integral density matrix dynamics: A method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems

    NASA Astrophysics Data System (ADS)

    Habershon, Scott

    2013-09-01

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.

  12. An arbitrary wavelength solver for global gyrokinetic simulations. Application to the study of fine radial structures on microturbulence due to non-adiabatic passing electron dynamics

    NASA Astrophysics Data System (ADS)

    Dominski, J.; McMillan, B. F.; Brunner, S.; Merlo, G.; Tran, T.-M.; Villard, L.

    2017-02-01

    The influence of the fine layers of the non-adiabatic passing electron response on electrostatic turbulent transport, previously studied systematically in flux tube geometry [Dominski et al., Phys. Plasmas 22, 062303 (2015)], is pursued in global geometry in conditions relevant for the TCV tokamak with a deuterium plasma (mi/me = 3672). The spectral organization of the passing electron turbulent flux and its dependence on the radial profile of the safety factor are revealed. A radially dependent toroidal spectral analysis of the turbulent fluxes led to the key result that the particle and heat diffusivities of passing-electrons are proportional to the local density of low-order mode rational surfaces. To permit this study of the short radial scales associated with the passing electron dynamics, a new field solver valid at an arbitrary wavelength is implemented in ORB5, for the gyrokinetic quasi-neutrality equation. A benchmark is conducted against the global version of the gyrokinetic code GENE, showing very good agreement.

  13. Geometrical features of transformed phase masks in the optical/digital device for identification of credit cards

    NASA Astrophysics Data System (ADS)

    Muravsky, Leonid I.; Kulynych, Yaroslav P.; Maksymenko, Olexander P.; Voronyak, Taras I.; Kostyukevych, Sergey A.

    2002-04-01

    The new method for identification of optical marks containing transformed phase masks (TPMs) is considered. A TPM placed in an optical correlator produces several sharp correlation peaks on its output. We choose the distances between peaks as basic geometrical features of a TPM. The increase of quantity of basic features leads to the increase of security level of documents and valuable papers. However, the amount of such features is limited and is depending from many factors. We picked the probability of false identification of the nearest feature as the criterion of separation of features on independent classes. The optical/digital device for identification of credit cards based on a joint transform correlator architecture was used for the study of TPMs. To estimate the law of distribution of basic features inherent to the same class, we carried out experiments with the series of TPMs. We have shown, that the additional features allow to increase the number of basic features, separated on different classes. These experiments also have allowed to estimate the error of features measurements

  14. Inter-spin distance determination using L-band (1-2 GHz) non-adiabatic rapid sweep electron paramagnetic resonance (NARS EPR)

    PubMed Central

    Kittell, Aaron W.; Hustedt, Eric J.; Hyde, James S.

    2014-01-01

    Site-directed spin-labeling electron paramagnetic resonance (SDSL EPR) provides insight into the local structure and motion of a spin probe strategically attached to a molecule. When a second spin is introduced to the system, macromolecular information can be obtained through measurement of inter-spin distances either by continuous wave (CW) or pulsed electron double resonance (ELDOR) techniques. If both methodologies are considered, inter-spin distances of 8 to 80 Å can be experimentally determined. However, there exists a region at the upper limit of the conventional X-band (9.5 GHz) CW technique and the lower limit of the four-pulse double electron-electron resonance (DEER) experiment where neither method is particularly reliable. The work presented here utilizes L-band (1.9 GHz) in combination with non-adiabatic rapid sweep (NARS) EPR to address this opportunity by increasing the upper limit of the CW technique. Because L-band linewidths are three to seven times narrower than those at X-band, dipolar broadenings that are small relative to the X-band inhomogeneous linewidth become observable, but the signal loss due to the frequency dependence of the Boltzmann factor, has made L-band especially challenging. NARS has been shown to increase sensitivity by a factor of five, and overcomes much of this loss, making L-band distance determination more feasible [1]. Two different systems are presented and distances of 18–30 Å have been experimentally determined at physiologically relevant temperatures. Measurements are in excellent agreement with a helical model and values determined by DEER. PMID:22750251

  15. Inter-spin distance determination using L-band (1-2 GHz) non-adiabatic rapid sweep electron paramagnetic resonance (NARS EPR)

    NASA Astrophysics Data System (ADS)

    Kittell, Aaron W.; Hustedt, Eric J.; Hyde, James S.

    2012-08-01

    Site-directed spin-labeling electron paramagnetic resonance (SDSL EPR) provides insight into the local structure and motion of a spin probe strategically attached to a molecule. When a second spin is introduced to the system, macromolecular information can be obtained through measurement of inter-spin distances either by continuous wave (CW) or pulsed electron double resonance (ELDOR) techniques. If both methodologies are considered, inter-spin distances of 8-80 Å can be experimentally determined. However, there exists a region at the upper limit of the conventional X-band (9.5 GHz) CW technique and the lower limit of the four-pulse double electron-electron resonance (DEER) experiment where neither method is particularly reliable. The work presented here utilizes L-band (1.9 GHz) in combination with non-adiabatic rapid sweep (NARS) EPR to address this opportunity by increasing the upper limit of the CW technique. Because L-band linewidths are three to seven times narrower than those at X-band, dipolar broadenings that are small relative to the X-band inhomogeneous linewidth become observable, but the signal loss, due to the frequency dependence of the Boltzmann factor, has made L-band especially challenging. NARS has been shown to increase sensitivity by a factor of five, and overcomes much of this loss, making L-band distance determination more feasible [1]. Two different systems are presented, and distances of 18-30 Å have been experimentally determined at physiologically relevant temperatures. Measurements are in excellent agreement with a helical model and values determined by DEER.

  16. Modelling non-adiabatic effects in H{sub 3}{sup +}: Solution of the rovibrational Schrödinger equation with motion-dependent masses and mass surfaces

    SciTech Connect

    Mátyus, Edit; Szidarovszky, Tamás

    2014-10-21

    Introducing different rotational and vibrational masses in the nuclear-motion Hamiltonian is a simple phenomenological way to model rovibrational non-adiabaticity. It is shown on the example of the molecular ion H{sub 3}{sup +}, for which a global adiabatic potential energy surface accurate to better than 0.1 cm{sup −1} exists [M. Pavanello, L. Adamowicz, A. Alijah, N. F. Zobov, I. I. Mizus, O. L. Polyansky, J. Tennyson, T. Szidarovszky, A. G. Császár, M. Berg et al., Phys. Rev. Lett. 108, 023002 (2012)], that the motion-dependent mass concept yields much more accurate rovibrational energy levels but, unusually, the results are dependent upon the choice of the embedding of the molecule-fixed frame. Correct degeneracies and an improved agreement with experimental data are obtained if an Eckart embedding corresponding to a reference structure of D{sub 3h} point-group symmetry is employed. The vibrational mass of the proton in H{sub 3}{sup +} is optimized by minimizing the root-mean-square (rms) deviation between the computed and recent high-accuracy experimental transitions. The best vibrational mass obtained is larger than the nuclear mass of the proton by approximately one third of an electron mass, m{sub opt,p}{sup (v)}=m{sub nuc,p}+0.31224 m{sub e}. This optimized vibrational mass, along with a nuclear rotational mass, reduces the rms deviation of the experimental and computed rovibrational transitions by an order of magnitude. Finally, it is shown that an extension of the algorithm allowing the use of motion-dependent masses can deal with coordinate-dependent mass surfaces in the rovibrational Hamiltonian, as well.

  17. Exploring water radiolysis in proton cancer therapy: Time-dependent, non-adiabatic simulations of H+ + (H2O)1-6.

    PubMed

    Privett, Austin J; Teixeira, Erico S; Stopera, Christopher; Morales, Jorge A

    2017-01-01

    To elucidate microscopic details of proton cancer therapy (PCT), we apply the simplest-level electron nuclear dynamics (SLEND) method to H+ + (H2O)1-6 at ELab = 100 keV. These systems are computationally tractable prototypes to simulate water radiolysis reactions-i.e. the PCT processes that generate the DNA-damaging species against cancerous cells. To capture incipient bulk-water effects, ten (H2O)1-6 isomers are considered, ranging from quasi-planar/multiplanar (H2O)1-6 to "smallest-drop" prism and cage (H2O)6 structures. SLEND is a time-dependent, variational, non-adiabatic and direct method that adopts a nuclear classical-mechanics description and an electronic single-determinantal wavefunction in the Thouless representation. Short-time SLEND/6-31G* (n = 1-6) and /6-31G** (n = 1-5) simulations render cluster-to-projectile 1-electron-transfer (1-ET) total integral cross sections (ICSs) and 1-ET probabilities. In absolute quantitative terms, SLEND/6-31G* 1-ET ICS compares satisfactorily with alternative experimental and theoretical results only available for n = 1 and exhibits almost the same accuracy of the best alternative theoretical result. SLEND/6-31G** overestimates 1-ET ICS for n = 1, but a comparable overestimation is also observed with another theoretical method. An investigation on H+ + H indicates that electron direct ionization (DI) becomes significant with the large virtual-space quasi-continuum in large basis sets; thus, SLEND/6-31G** 1-ET ICS is overestimated by DI contributions. The solution to this problem is discussed. In relative quantitative terms, both SLEND/6-31* and /6-31G** 1-ET ICSs precisely fit into physically justified scaling formulae as a function of the cluster size; this indicates SLEND's suitability for predicting properties of water clusters with varying size. Long-time SLEND/6-31G* (n = 1-4) simulations predict the formation of the DNA-damaging radicals H, OH, O and H3O. While "smallest-drop" isomers are included, no early

  18. Relativistic geometric quantum phases from the Lorentz symmetry violation effects in the CPT-even gauge sector of Standard Model Extension

    NASA Astrophysics Data System (ADS)

    Bakke, K.; Belich, H.

    2015-11-01

    We discuss the appearance of geometric quantum phases for a Dirac neutral particle in the context of relativistic quantum mechanics based on possible scenarios of the Lorentz symmetry violation tensor background in the CPT-even gauge sector of Standard Model Extension. We assume that the Lorentz symmetry breaking is determined by a tensor background given by (KF)μναβ, then, relativistic analogues of the Anandan quantum phase [J. Anandan, Phys. Lett. A 138, 347 (1989)] are obtained based on the parity-even and parity-odd sectors of the tensor (KF)μναβ.

  19. Geometric, electronic and optical properties of zinc/tin codoped In2O3 modulated by the bixbyite/corundum phase transition

    NASA Astrophysics Data System (ADS)

    Lu, Ying-Bo; Li, Y. H.; Ling, Z. C.; Cong, Wei-Yan; Zhang, Peng; Xin, Y. Q.; Yang, T. L.

    2016-02-01

    As transparent conducting oxides (TCOs), In2O3 in the high pressure phase attracts extensive research interests. Because physical properties are determined by the geometric structures, we investigate the electronic and optical properties of Zn/Sn codoped In2O3 materials (IZTO) being modulated by the bixbyite/corundum phase transition via Density Functional Theory calculations. For IZTO in high pressure phase, i.e. corundum phase, Sn/Zn dopant pair tends to form face-sharing ZnO6 and SnO6 octahedrons. The radius differences between Zn2+/Sn4+ dopants and In3+ host cations make Jahn-Teller effect occur and IZTO transform from bixbyite to corundum phase under a slight higher pressure than that of pure In2O3. Although Zn/Sn cosubstitution of In ions may increase the free carrier effective mass m * near the band edge, when IZTO crystal transforms to corundum phase, the more dense packing structure results in stronger cation s-orbital overlaps than in bixbyite phase, which makes m * recover to a smaller value. In addition, corundum IZTO has a larger indirect band gap and a high dopant solubility. So these investigations may open a new way to search for TCOs materials with low indium content.

  20. Volumetric quantitative characterization of human patellar cartilage with topological and geometrical features on phase-contrast X-ray computed tomography.

    PubMed

    Nagarajan, Mahesh B; Coan, Paola; Huber, Markus B; Diemoz, Paul C; Wismüller, Axel

    2015-11-01

    Phase-contrast X-ray computed tomography (PCI-CT) has attracted significant interest in recent years for its ability to provide significantly improved image contrast in low absorbing materials such as soft biological tissue. In the research context of cartilage imaging, previous studies have demonstrated the ability of PCI-CT to visualize structural details of human patellar cartilage matrix and capture changes to chondrocyte organization induced by osteoarthritis. This study evaluates the use of geometrical and topological features for volumetric characterization of such chondrocyte patterns in the presence (or absence) of osteoarthritic damage. Geometrical features derived from the scaling index method (SIM) and topological features derived from Minkowski Functionals were extracted from 1392 volumes of interest (VOI) annotated on PCI-CT images of ex vivo human patellar cartilage specimens. These features were subsequently used in a machine learning task with support vector regression to classify VOIs as healthy or osteoarthritic; classification performance was evaluated using the area under the receiver operating characteristic curve (AUC). Our results show that the classification performance of SIM-derived geometrical features (AUC: 0.90 ± 0.09) is significantly better than Minkowski Functionals volume (AUC: 0.54 ± 0.02), surface (AUC: 0.72 ± 0.06), mean breadth (AUC: 0.74 ± 0.06) and Euler characteristic (AUC: 0.78 ± 0.04) (p < 10(-4)). These results suggest that such geometrical features can provide a detailed characterization of the chondrocyte organization in the cartilage matrix in an automated manner, while also enabling classification of cartilage as healthy or osteoarthritic with high accuracy. Such features could potentially serve as diagnostic imaging markers for evaluating osteoarthritis progression and its response to different therapeutic intervention strategies.

  1. Geometric Mechanics

    NASA Astrophysics Data System (ADS)

    Talman, Richard

    1999-10-01

    Mechanics for the nonmathematician-a modern approach For physicists, mechanics is quite obviously geometric, yet the classical approach typically emphasizes abstract, mathematical formalism. Setting out to make mechanics both accessible and interesting for nonmathematicians, Richard Talman uses geometric methods to reveal qualitative aspects of the theory. He introduces concepts from differential geometry, differential forms, and tensor analysis, then applies them to areas of classical mechanics as well as other areas of physics, including optics, crystal diffraction, electromagnetism, relativity, and quantum mechanics. For easy reference, Dr. Talman treats separately Lagrangian, Hamiltonian, and Newtonian mechanics-exploring their geometric structure through vector fields, symplectic geometry, and gauge invariance respectively. Practical perturbative methods of approximation are also developed. Geometric Mechanics features illustrative examples and assumes only basic knowledge of Lagrangian mechanics. Of related interest . . . APPLIED DYNAMICS With Applications to Multibody and Mechatronic Systems Francis C. Moon A contemporary look at dynamics at an intermediate level, including nonlinear and chaotic dynamics. 1998 (0-471-13828-2) 504 pp. MATHEMATICAL PHYSICS Applied Mathematics for Scientists and Engineers Bruce Kusse and Erik Westwig A comprehensive treatment of the mathematical methods used to solve practical problems in physics and engineering. 1998 (0-471-15431-8) 680 pp.

  2. Skeletal octahedral nanoframe with Cartesian coordinates via geometrically precise nanoscale phase segregation in a Pt@Ni core-shell nanocrystal.

    PubMed

    Oh, Aram; Baik, Hionsuck; Choi, Dong Shin; Cheon, Jae Yeong; Kim, Byeongyoon; Kim, Heejin; Kwon, Seong Jung; Joo, Sang Hoon; Jung, Yousung; Lee, Kwangyeol

    2015-03-24

    Catalytic properties of nanoparticles can be significantly enhanced by controlling nanoscale alloying and its structure. In this work, by using a facet-controlled Pt@Ni core-shell octahedron nanoparticle, we show that the nanoscale phase segregation can have directionality and be geometrically controlled to produce a Ni octahedron that is penetrated by Pt atoms along three orthogonal Cartesian axes and is coated by Pt atoms along its edges. This peculiar anisotropic diffusion of Pt core atoms along the ⟨100⟩ vertex, and then toward the ⟨110⟩ edges, is explained via the minimum strain energy for Ni-Ni pair interactions. The selective removal of the Ni-rich phase by etching then results in structurally fortified Pt-rich skeletal PtNi alloy framework nanostructures. Electrochemical evaluation of this hollow nanoframe suggests that the oxygen reduction reaction (ORR) activity is greatly improved compared to conventional Pt catalysts.

  3. A Hessian geometric construction that aids analysis of non-monotonic effects in ternary mixture phase separation

    NASA Astrophysics Data System (ADS)

    Thurston, George; Hayden, Douglas; Ross, David; Pande, Ajay; Pande, Jayanti; Foffi, Giuseppe; Stradner, Anna; Schurtenberger, Peter

    2014-03-01

    Ternary, quaternary, and multi-component phase separations are common in biological systems, and their properties have many physiological and pathological consequences. As one example, understanding the molecular origins of the phase boundaries of eye lens protein solutions can help understand loss of transparency of the eye lens in cataract, a leading cause of blindness. The phase boundaries respond in a sensitive and non-monotonic fashion to small changes in molecular interaction strengths. We show how the geometry of relevant intersections, in the space of the components of the Hessian of the intensive Gibbs free energy with respect to relative compositions, can assist in comprehending the origins of such non-monotonic and sensitive changes of the phase boundaries. We apply this construction to analyze recent results about non-monotonic dependence of the phase boundaries of eye lens protein solutions on interprotein interaction strengths. Supported by NIH R15EY018249.

  4. Boron fullerenes B(32+8k) with four-membered rings and B32 solid phases: geometrical structures and electronic properties.

    PubMed

    Sheng, Xian-Lei; Yan, Qing-Bo; Zheng, Qing-Rong; Su, Gang

    2009-11-14

    Based on ab initio calculations, we have studied the geometrical, electronic properties and chemical bonding of boron fullerenes B(32+8k) (0 < or = k < or = 7) with four-membered rings and B(32) solid phases. The relative energies and the energy gaps between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) have been calculated, showing that the stabilities grow with the increase of fullerene size, where the smallest cage B(32) bears the largest HOMO-LUMO gap. The frontier orbitals of B(32+8k) show some similarities with those of the corresponding carbon fullerenes C(24+6k), implying that they may have similar chemical properties. It is found that B(32) cages can condense to form solid phases of simple cubic (sc), face-centered cubic (fcc), body-centered cubic (bcc), and body-centered tetragonal (bct) structures, where the bct phase is observed to be the most stable. Electronic structure calculations reveal that the sc, fcc and bcc phases of B(32) solids are metallic, but the bct phase is a semimetal.

  5. Independent-Cluster Parametrizations of Wave Functions in Model Field Theories III. The Coupled-Cluster Phase Spaces and Their Geometrical Structure

    NASA Astrophysics Data System (ADS)

    Arponen, J. S.; Bishop, R. F.

    1993-11-01

    In this third paper of a series we study the structure of the phase spaces of the independent-cluster methods. These phase spaces are classical symplectic manifolds which provide faithful descriptions of the quantum mechanical pure states of an arbitrary system. They are "superspaces" in the sense that the full physical many-body or field-theoretic system is described by a point of the space, in contrast to "ordinary" spaces for which the state of the physical system is described rather by the whole space itself. We focus attention on the normal and extended coupled-cluster methods (NCCM and ECCM). Both methods provide parametrizations of the Hilbert space which take into account in increasing degrees of completeness the connectivity properties of the associated perturbative diagram structure. This corresponds to an increasing incorporation of locality into the description of the quantum system. As a result the degree of nonlinearity increases in the dynamical equations that govern the temporal evolution and determine the equilibrium state. Because of the nonlinearity, the structure of the manifold becomes geometrically complicated. We analyse the neighbourhood of the ground state of the one-mode anharmonic bosonic field theory and derive the nonlinear expansion beyond the linear response regime. The expansion is given in terms of normal-mode amplitudes, which provide the best local coordinate system close to the ground state. We generalize the treatment to other nonequilibrium states by considering the similarly defined normal coordinates around the corresponding phase space point. It is pointed out that the coupled-cluster method (CCM) maps display such features as (an)holonomy, or geometric phase. For example, a physical state may be represented by a number of different points on the CCM manifold. For this reason the whole phase spaces in the NCCM or ECCM cannot be covered by a single chart. To account for this non-Euclidean nature we introduce a suitable pseudo

  6. Low Dose High Energy X-ray In-Line Phase Sensitive Imaging Prototype: Investigation of Optimal Geometric Conditions and Design Parameters

    PubMed Central

    Ghani, Muhammad. U.; Yan, Aimin; Wong, Molly. D.; Li, Yuhua; Ren, Liqiang; Wu, Xizeng; Liu, Hong

    2016-01-01

    The objective of this study was to investigate the optimization of a high energy in-line phase sensitive x-ray imaging prototype under different geometric and operating conditions for mammography application. A phase retrieval algorithm based on phase attenuation duality (PAD) was applied to the phase contrast images acquired by the prototype. Imaging performance was investigated at four magnification values of 1.67, 2, 2.5 and 3 using an acrylic edge, an American College of Radiology (ACR) mammography phantom and contrast detail (CD) phantom with tube potentials of 100, 120 and 140 kVp. The ACR and CD images were acquired at the same mean glandular dose (MGD) of 1.29 mGy with a computed radiography (CR) detector of 43.75 µm pixel pitch at a fixed source to image distance (SID) of 170 cm. The x-ray tube focal spot size was kept constant as 7 µm while a 2.5 mm thick aluminum (Al) filter was used for beam hardening. The performance of phase contrast and phase retrieved images were compared with computer simulations based on the relative phase contrast factor (RPF) at high x-ray energies. The imaging results showed that the x-ray tube operated at 100 kVp under the magnification of 2.5 exhibits superior imaging performance which is in accordance to the computer simulations. As compared to the phase contrast images, the phase retrieved images of the ACR and CD phantoms demonstrated improved imaging contrast and target discrimination. We compared the CD phantom images acquired in conventional contact mode with and without the anti-scatter grid using the same prototype at 1.295 mGy and 2.59 mGy using 40 kVp, a 25 µm rhodium (Rh) filter. At the same radiation dose, the phase sensitive images provided improved detection capabilities for both the large and small discs, while compared to the double dose image acquired in conventional mode, the observer study also indicated that the phase sensitive images provided improved detection capabilities for the large discs. This

  7. Low dose high energy x-ray in-line phase sensitive imaging prototype: Investigation of optimal geometric conditions and design parameters.

    PubMed

    Ghani, Muhammad U; Yan, Aimin; Wong, Molly D; Li, Yuhua; Ren, Liqiang; Wu, Xizeng; Liu, Hong

    2015-01-01

    The objective of this study was to investigate the optimization of a high energy in-line phase sensitive x-ray imaging prototype under different geometric and operating conditions for mammography application. A phase retrieval algorithm based on phase attenuation duality (PAD) was applied to the phase contrast images acquired by the prototype. Imaging performance was investigated at four magnification values of 1.67, 2, 2.5 and 3 using an acrylic edge, an American College of Radiology (ACR) mammography phantom and contrast detail (CD) phantom with tube potentials of 100, 120 and 140 kVp. The ACR and CD images were acquired at the same mean glandular dose (MGD) of 1.29 mGy with a computed radiography (CR) detector of 43.75 μm pixel pitch at a fixed source to image distance (SID) of 170 cm. The x-ray tube focal spot size was kept constant as 7 μm while a 2.5 mm thick aluminum (Al) filter was used for beam hardening. The performance of phase contrast and phase retrieved images were compared with computer simulations based on the relative phase contrast factor (RPF) at high x-ray energies. The imaging results showed that the x-ray tube operated at 100 kVp under the magnification of 2.5 exhibits superior imaging performance which is in accordance to the computer simulations. As compared to the phase contrast images, the phase retrieved images of the ACR and CD phantoms demonstrated improved imaging contrast and target discrimination. We compared the CD phantom images acquired in conventional contact mode with and without the anti-scatter grid using the same prototype at 1.295 mGy and 2.59 mGy using 40 kVp, a 25 μm rhodium (Rh) filter. At the same radiation dose, the phase sensitive images provided improved detection capabilities for both the large and small discs, while compared to the double dose image acquired in conventional mode, the observer study also indicated that the phase sensitive images provided improved detection capabilities for the large discs. This

  8. Development and modeling of multi-phase polymeric origami inspired architecture by using pre-molded geometrical features

    NASA Astrophysics Data System (ADS)

    Kshad, Mohamed Ali E.; Naguib, Hani E.

    2017-02-01

    Using Origami folded cores in sandwich structures for lightweight applications has attracted attention in different engineering applications, especially in the applications where the stiffness to weight ratio is a critical design parameter. Recently, common sandwich cores such as honey-comb and foamed cores have been replaced with origami core panels due to their way of force redistribution and energy absorption; these unique characteristics give origami cores high stiffness to weight ratio and high bending and twisting resistance. This paper presents the results of experimental investigations of the effect of base material on the mechanical properties and the impact resistance of Miura-Origami sandwich cores; then, the experimental results are compared with FEA simulation results. The materials used in the study for the origami cores were polymer blends composed of polylactic acid (PLA) and thermoplastic polyurethane (TPU). PLA/TPU blend compositions are (100/0, 80/20, 65/35, 50/50, 20/80, and 0/100) as a weight percentage. The geometrical parameters of the unit cell, base material thickness, and the panel thickness were considered to be constants in this study. The study shows the behavior of the origami cores under impact test and the energy absorbed by the origami folded cores. It was found that 20/80 PLA/TPU blend demonstrated the highest specific energy absorption efficiency both in quasi-static compression and impact tests. Fractured Origami structures were observed to fail at folded edges (creases lines), while the facets exhibit rigid body rotations. The FEM simulation showed a consistency in the impact behavior of the origami cores, and the directional deformational of origami core units which explain the ability of the structure to redistribute the applied force and absorb energy. In this work the origami folded core features were molded directly from the blended material.

  9. Why Do Mixed Quantum-Classical Methods Describe Short-Time Dynamics through Conical Intersections So Well? Analysis of Geometric Phase Effects.

    PubMed

    Gherib, Rami; Ryabinkin, Ilya G; Izmaylov, Artur F

    2015-04-14

    Adequate simulation of nonadiabatic dynamics through conical intersection requires accounting for a nontrivial geometric phase (GP) emerging in electronic and nuclear wave functions in the adiabatic representation. Popular mixed quantum-classical (MQC) methods, surface hopping and Ehrenfest, do not carry a nuclear wave function to be able to incorporate the GP into nuclear dynamics. Surprisingly, the MQC methods reproduce ultrafast interstate crossing dynamics generated with the exact quantum propagation so well as if they contained information about the GP. Using two-dimensional linear vibronic coupling models we unravel how the MQC methods can effectively mimic the most significant dynamical GP effects: (1) compensation for repulsive diagonal second-order nonadiabatic couplings and (2) transfer enhancement for a fully cylindrically symmetric component of a nuclear distribution.

  10. Cryogenic neon matrix-isolation FTIR spectroscopy of evaporated ionic liquids: geometrical structure of cation-anion 1:1 pair in the gas phase.

    PubMed

    Akai, Nobuyuki; Parazs, David; Kawai, Akio; Shibuya, Kazuhiko

    2009-04-09

    Low-temperature infrared spectra of thermally evaporated ionic liquids, 1-ethyl- and 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide and bis(trifluoromethanesulfonyl)amide have been measured in a cryogenic Ne matrix. The experimental IR spectrum of bis(trifluoromethanesulfonyl)amide can be reproduced theoretically by not B3LYP/6-31G* but MP2/6-31G* calculation, which suggests that the vibrational analysis for ionic liquids composed of bis(trifluoromethanesulfonyl)imide anion would be more successfully performed using the MP2 calculation. By comparison of the matrix-isolation spectra of the ionic liquids with the MP2 calculation, their geometrical structures in the gas phase are determined to be of C(2-position)-H(+)...N(-) interaction structure, which corresponds to the geometry of the energetically second-lowest ion-pair structure. The present study may provide a valuable clue to understand a vaporization mechanism of ionic liquid.

  11. Geometric phase transition in the cellular network of the pancreatic islets may underlie the onset of type 1diabetes

    NASA Astrophysics Data System (ADS)

    Wang, Xujing

    Living systems are characterized by complexity in structure and emergent dynamic orders. In many aspects the onset of a chronic disease resembles phase transition in a dynamic system: quantitative changes accumulate largely unnoticed until a critical threshold is reached, which causes abrupt qualitative changes of the system. In this study we investigate this idea in a real example, the insulin-producing pancreatic islet β-cells and the onset of type 1 diabetes. Within each islet, the β-cells are electrically coupled to each other, and function as a network with synchronized actions. Using percolation theory we show how normal islet function is intrinsically linked to network connectivity, and the critical point where the islet cellular network loses site percolation, is consistent with laboratory and clinical observations of the threshold β-cell loss that causes islet functional failure. Numerical simulations confirm that the islet cellular network needs to be percolated for β-cells to synchronize. Furthermore, the interplay between site percolation and bond strength predicts the existence of a transient phase of islet functional recovery after disease onset and introduction of treatment, potentially explaining a long time mystery in the clinical study of type 1 diabetes: the honeymoon phenomenon. Based on these results, we hypothesized that the onset of T1D may be the result of a phase transition of the islet β-cell network. We further discuss the potential applications in identifying disease-driving factors, and the critical parameters that are predictive of disease onset.

  12. An adaptive spectral/DG method for a reduced phase-space based level set approach to geometrical optics on curved elements

    NASA Astrophysics Data System (ADS)

    Cockburn, Bernardo; Kao, Chiu-Yen; Reitich, Fernando

    2014-02-01

    We present an adaptive spectral/discontinuous Galerkin (DG) method on curved elements to simulate high-frequency wavefronts within a reduced phase-space formulation of geometrical optics. Following recent work, the approach is based on the use of level sets defined by functions satisfying the Liouville equations in reduced phase-space and, in particular, it relies on the smoothness of these functions to represent them by rapidly convergent spectral expansions in the phase variables. The resulting (hyperbolic) system of equations for the coefficients in these expansions are then amenable to a high-order accurate treatment via DG approximations. In the present work, we significantly expand on the applicability and efficiency of the approach by incorporating mechanisms that allow for its use in scattering simulations and for a reduced overall computational cost. With regards to the former we demonstrate that the incorporation of curved elements is necessary to attain any kind of accuracy in calculations that involve scattering off non-flat interfaces. With regards to efficiency, on the other hand, we also show that the level-set formulation allows for a space p-adaptive scheme that under-resolves the level-set functions away from the wavefront without incurring in a loss of accuracy in the approximation of its location. As we show, these improvements enable simulations that are beyond the capabilities of previous implementations of these numerical procedures.

  13. Cost and accuracy comparison between the diffuse interface method and the geometric volume of fluid method for simulating two-phase flows

    NASA Astrophysics Data System (ADS)

    Mirjalili, Shahab; Ivey, Christopher Blake; Mani, Ali

    2016-11-01

    The diffuse interface(DI) and volume of fluid(VOF) methods are mass conserving front capturing schemes which can handle large interfacial topology changes in realistic two phase flows. The DI method is a conservative phase field method that tracks an interface with finite thickness spread over a few cells and does not require reinitialization. In addition to having the desirable properties of level set methods for naturally capturing curvature and surface tension forces, the model conserves mass continuously and discretely. The VOF method, which tracks the fractional tagged volume in a cell, is discretely conservative by requiring costly geometric reconstructions of the interface and the fluxes. Both methods however, suffer from inaccuracies in calculation of curvature and surface tension forces. We present a quantitative comparison of these methods in terms of their accuracy, convergence rate, memory, and computational cost using canonical 2D two-phase test cases: damped surface wave, oscillating drop, equilibrium static drop, and dense moving drop. We further compared the models in their ability to handle thin films by looking at the impact of a water drop onto a deep water pool. Considering these results, we suggest qualitative guidelines for using the DI and VOF methods. Supported by ONR.

  14. A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene

    NASA Astrophysics Data System (ADS)

    Pederzoli, Marek; Pittner, Jiří

    2017-03-01

    We present surface hopping dynamics on potential energy surfaces resulting from the spin-orbit splitting, i.e., surfaces corresponding to the eigenstates of the total electronic Hamiltonian including the spin-orbit coupling. In this approach, difficulties arise because of random phases of degenerate eigenvectors and possibility of crossings of the resulting mixed states. Our implementation solves these problems and allows propagation of the coefficients both in the representation of the spin free Hamiltonian and directly in the "diagonal representation" of the mixed states. We also provide a detailed discussion of the state crossing and point out several peculiarities that were not mentioned in the previous literature. We also incorporate the effect of the environment via the quantum mechanics/molecular mechanics approach. As a test case, we apply our methodology to deactivation of thiophene and selenophene in the gas phase, ethanol solution, and bulk liquid phase. First, 100 trajectories without spin-orbit coupling have been calculated for thiophene starting both in S1 and S2 states. A subset of 32 initial conditions starting in the S2 state was then used for gas phase simulations with spin-orbit coupling utilizing the 3-step integrator of SHARC, our implementation of the 3-step propagator in Newton-X and two new "one-step" approaches. Subsequently, we carried out simulations in ethanol solution and bulk liquid phase for both thiophene and selenophene. For both molecules, the deactivation of the S2 state proceeds via the ring opening pathway. The total population of triplet states reaches around 15% and 40% after 80 fs for thiophene and selenophene, respectively. However, it only begins growing after the ring opening is initiated; hence, the triplet states do not directly contribute to the deactivation mechanism. For thiophene, the resulting deactivation lifetime of the S2 state was 68 fs in the gas phase, 76 fs in ethanol solution, and 78 fs in the liquid phase

  15. Ultra-thin single-layer transparent geometrical phase gradient metasurface and its application to high-gain circularly-polarized lens antenna

    NASA Astrophysics Data System (ADS)

    Li, Tang-Jing; Liang, Jian-Gang; Li, Hai-Peng; Liu, Ya-Qiao

    2016-09-01

    A new method to design an ultra-thin high-gain circularly-polarized antenna system with high efficiency is proposed based on the geometrical phase gradient metasurface (GPGM). With an accuracy control of the transmission phase and also the high transmission amplitude, the GPGM is capable of manipulating an electromagnetic wave arbitrarily. A focusing transmission lens working at Ku band is well optimized with the F/D of 0.32. A good focusing effect is demonstrated clearly by theoretical calculation and electromagnetic simulation. For further application, an ultra-thin single-layer transmissive lens antenna based on the proposed focusing metasurface operating at 13 GHz is implemented and launched by an original patch antenna from the perspective of high integration, simple structure, and low cost. Numerical and experimental results coincide well, indicating the advantages of the antenna system, such as a high gain of 17.6 dB, the axis ratio better than 2 dB, a high aperture efficiency of 41%, and also a simple fabrication process based on the convenient print circuit board technology. The good performance of the proposed antenna indicates promising applications in portable communication systems. Project supported by the National Natural Science Foundation of China (Grant No. 61372034).

  16. Perspective: Geometrically frustrated assemblies

    NASA Astrophysics Data System (ADS)

    Grason, Gregory M.

    2016-09-01

    This perspective will overview an emerging paradigm for self-organized soft materials, geometrically frustrated assemblies, where interactions between self-assembling elements (e.g., particles, macromolecules, proteins) favor local packing motifs that are incompatible with uniform global order in the assembly. This classification applies to a broad range of material assemblies including self-twisting protein filament bundles, amyloid fibers, chiral smectics and membranes, particle-coated droplets, curved protein shells, and phase-separated lipid vesicles. In assemblies, geometric frustration leads to a host of anomalous structural and thermodynamic properties, including heterogeneous and internally stressed equilibrium structures, self-limiting assembly, and topological defects in the equilibrium assembly structures. The purpose of this perspective is to (1) highlight the unifying principles and consequences of geometric frustration in soft matter assemblies; (2) classify the known distinct modes of frustration and review corresponding experimental examples; and (3) describe outstanding questions not yet addressed about the unique properties and behaviors of this broad class of systems.

  17. Non-adiabatic dynamics of reactions of O(1D) with Xe, CO, NO2, and CO2 from crossed atomic and molecular beam experiments

    NASA Astrophysics Data System (ADS)

    Boering, Kristie

    2015-03-01

    Reactions of the first excited state of atomic oxygen, O(1D), with small molecules such as CO, NO2, and CO2 continue to be of interest in aeronomy and atmospheric chemistry, thus providing additional motivation to understand the dynamics of these reactions and how well they are predicted by theory. In collaboration with Prof. Jim Lin of the Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan, we have studied the dynamics of quenching and non-quenching reactions between O(1D) and various small molecules using a universal crossed atomic and molecular beam apparatus. New experimental results for the dynamics of quenching of O(1D) by Xe and CO will be presented and compared with previous results for NO2 (K.A. Mar, A.L. Van Wyngarden, C.-W. Liang, Y.T. Lee, J.J. Lin, K.A. Boering, J. Chem. Phys., 137, 044302, doi: 10.1063/1.4736567, 2012) and CO2 (M.J. Perri, A.L. Van Wyngarden, K.A. Boering, J.J. Lin, and Y.T. Lee, J. Chem. Phys., 119(16), 8213-8216, 2003; M.J. Perri, A.L. Van Wyngarden, J.J. Lin, Y.T. Lee, and K.A. Boering, J. Phys. Chem. A, 108(39), 7995-8001, doi: 10.1021/jp0485845, 2004). Among the most intriguing of the new results are for quenching of O(1D) by Xe, for which marked oscillations in the differential cross sections were observed for the O(3P) and Xe products. The shape and relative phase of the oscillatory structure depended strongly on collision energy. This behavior is likely due to the quantum nature of the collision dynamics, caused by interferences among multiple curve crossing pathways accessible during electronic quenching, known as Stueckelberg oscillations.

  18. Geometric Hamiltonian quantum mechanics and applications

    NASA Astrophysics Data System (ADS)

    Pastorello, Davide

    2016-08-01

    Adopting a geometric point of view on Quantum Mechanics is an intriguing idea since, we know that geometric methods are very powerful in Classical Mechanics then, we can try to use them to study quantum systems. In this paper, we summarize the construction of a general prescription to set up a well-defined and self-consistent geometric Hamiltonian formulation of finite-dimensional quantum theories, where phase space is given by the Hilbert projective space (as Kähler manifold), in the spirit of celebrated works of Kibble, Ashtekar and others. Within geometric Hamiltonian formulation quantum observables are represented by phase space functions, quantum states are described by Liouville densities (phase space probability densities), and Schrödinger dynamics is induced by a Hamiltonian flow on the projective space. We construct the star-product of this phase space formulation and some applications of geometric picture are discussed.

  19. PREFACE: Geometrically frustrated magnetism Geometrically frustrated magnetism

    NASA Astrophysics Data System (ADS)

    Gardner, Jason S.

    2011-04-01

    Frustrated magnetism is an exciting and diverse field in condensed matter physics that has grown tremendously over the past 20 years. This special issue aims to capture some of that excitement in the field of geometrically frustrated magnets and is inspired by the 2010 Highly Frustrated Magnetism (HFM 2010) meeting in Baltimore, MD, USA. Geometric frustration is a broad phenomenon that results from an intrinsic incompatibility between some fundamental interactions and the underlying lattice geometry based on triangles and tetrahedra. Most studies have centred around the kagomé and pyrochlore based magnets but recent work has looked at other structures including the delafossite, langasites, hyper-kagomé, garnets and Laves phase materials to name a few. Personally, I hope this issue serves as a great reference to scientist both new and old to this field, and that we all continue to have fun in this very frustrated playground. Finally, I want to thank the HFM 2010 organizers and all the sponsors whose contributions were an essential part of the success of the meeting in Baltimore. Geometrically frustrated magnetism contents Spangolite: an s = 1/2 maple leaf lattice antiferromagnet? T Fennell, J O Piatek, R A Stephenson, G J Nilsen and H M Rønnow Two-dimensional magnetism and spin-size effect in the S = 1 triangular antiferromagnet NiGa2S4 Yusuke Nambu and Satoru Nakatsuji Short range ordering in the modified honeycomb lattice compound SrHo2O4 S Ghosh, H D Zhou, L Balicas, S Hill, J S Gardner, Y Qi and C R Wiebe Heavy fermion compounds on the geometrically frustrated Shastry-Sutherland lattice M S Kim and M C Aronson A neutron polarization analysis study of moment correlations in (Dy0.4Y0.6)T2 (T = Mn, Al) J R Stewart, J M Hillier, P Manuel and R Cywinski Elemental analysis and magnetism of hydronium jarosites—model kagome antiferromagnets and topological spin glasses A S Wills and W G Bisson The Herbertsmithite Hamiltonian: μSR measurements on single crystals

  20. Geometric Quantum Noise of Spin

    NASA Astrophysics Data System (ADS)

    Shnirman, Alexander; Gefen, Yuval; Saha, Arijit; Burmistrov, Igor S.; Kiselev, Mikhail N.; Altland, Alexander

    2015-05-01

    The presence of geometric phases is known to affect the dynamics of the systems involved. Here, we consider a quantum degree of freedom, moving in a dissipative environment, whose dynamics is described by a Langevin equation with quantum noise. We show that geometric phases enter the stochastic noise terms. Specifically, we consider small ferromagnetic particles (nanomagnets) or quantum dots close to Stoner instability, and investigate the dynamics of the total magnetization in the presence of tunneling coupling to the metallic leads. We generalize the Ambegaokar-Eckern-Schön effective action and the corresponding semiclassical equations of motion from the U(1) case of the charge degree of freedom to the SU(2) case of the magnetization. The Langevin forces (torques) in these equations are strongly influenced by the geometric phase. As a first but nontrivial application, we predict low temperature quantum diffusion of the magnetization on the Bloch sphere, which is governed by the geometric phase. We propose a protocol for experimental observation of this phenomenon.

  1. Geometric phases in electric dipole searches with trapped spin-1/2 particles in general fields and measurement cells of arbitrary shape with smooth or rough walls

    NASA Astrophysics Data System (ADS)

    Golub, R.; Kaufman, C.; Müller, G.; Steyerl, A.

    2015-12-01

    The important role of geometric phases in searches for a permanent electric dipole moment of the neutron, using Ramsey separated oscillatory field nuclear magnetic resonance, was first noted by Commins [Am. J. Phys. 59, 1077 (1991), 10.1119/1.16616] and investigated in detail by Pendlebury et al. [Phys. Rev. A 70, 032102 (2004), 10.1103/PhysRevA.70.032102]. Their analysis was based on the Bloch equations. In subsequent work using the spin-density matrix, Lamoreaux and Golub [Phys. Rev. A 71, 032104 (2005), 10.1103/PhysRevA.71.032104] showed the relation between the frequency shifts and the correlation functions of the fields seen by trapped particles in general fields (Redfield theory). More recently, we presented a solution of the Schrödinger equation for spin-1 /2 particles in circular cylindrical traps with smooth walls and exposed to arbitrary fields [A. Steyerl et al., Phys. Rev. A 89, 052129 (2014), 10.1103/PhysRevA.89.052129]. Here, we extend this work to show how the Redfield theory follows directly from the Schrödinger equation solution. This serves to highlight the conditions of validity of the Redfield theory, a subject of considerable discussion in the literature [e.g., M. P. Nicholas et al., Prog. Nucl. Magn. Reson. Spectrosc. 57, 111 (2010), 10.1016/j.pnmrs.2010.04.003]. Our results can be applied where the Redfield result no longer holds, such as observation times on the order of or shorter than the correlation time and nonstochastic systems, and thus we can illustrate the transient spin dynamics, i.e., the gradual development of the shift with increasing time subsequent to the start of the free precession. We consider systems with rough, diffuse reflecting walls, cylindrical trap geometry with arbitrary cross section, and field perturbations that do not, in the frame of the moving particles, average to zero in time. We show by direct, detailed, calculation the agreement of the results from the Schrödinger equation with the Redfield theory for the

  2. Geometric Landau-Zener interferometry.

    PubMed

    Gasparinetti, S; Solinas, P; Pekola, J P

    2011-11-11

    We propose a new type of interferometry, based on geometric phases accumulated by a periodically driven two-level system undergoing multiple Landau-Zener transitions. As a specific example, we study its implementation in a superconducting charge pump. We find that interference patterns appear as a function of the pumping frequency and the phase bias, and clearly manifest themselves in the pumped charge. We also show that the effects described should persist in the presence of realistic decoherence.

  3. A Study of How Classroom Dialogue Facilitates the Development of Geometric Spatial Concepts Related to Understanding the Cause of Moon Phases

    ERIC Educational Resources Information Center

    Sherrod, Sonya Ellouise; Wilhelm, Jennifer

    2009-01-01

    Research indicates that student understanding is either confirmed or reformed when given opportunities to share what they know. This study was conducted to answer the research question: Will classroom dialogue facilitate students' understanding of lunar concepts related to geometric spatial visualisation? Ninety-two middle school students engaged…

  4. Conceptual aspects of geometric quantum computation

    NASA Astrophysics Data System (ADS)

    Sjöqvist, Erik; Azimi Mousolou, Vahid; Canali, Carlo M.

    2016-10-01

    Geometric quantum computation is the idea that geometric phases can be used to implement quantum gates, i.e., the basic elements of the Boolean network that forms a quantum computer. Although originally thought to be limited to adiabatic evolution, controlled by slowly changing parameters, this form of quantum computation can as well be realized at high speed by using nonadiabatic schemes. Recent advances in quantum gate technology have allowed for experimental demonstrations of different types of geometric gates in adiabatic and nonadiabatic evolution. Here, we address some conceptual issues that arise in the realizations of geometric gates. We examine the appearance of dynamical phases in quantum evolution and point out that not all dynamical phases need to be compensated for in geometric quantum computation. We delineate the relation between Abelian and non-Abelian geometric gates and find an explicit physical example where the two types of gates coincide. We identify differences and similarities between adiabatic and nonadiabatic realizations of quantum computation based on non-Abelian geometric phases.

  5. Effect of gas phase composition cycling on/off modulation numbers of C2H2/SF6 flows on the formation of geometrically controlled carbon coils.

    PubMed

    Eum, Jun-Ho; Jeon, Young-Chul; Kim, Sung-Hoon

    2012-07-01

    Carbon coils can be synthesized using C2H2/H2 as source gases and SF6 as an incorporated additive gas under a thermal chemical vapor deposition system. In this study, nickel catalyst layer deposition and then hydrogen plasma pretreatment were performed prior to the carbon coils deposition reaction. To obtain geometrically controlled carbon coils, source gases and SF6 were manipulated as the cycling on/off modulation numbers of C2H2/SF6 flows. The cycling numbers were varied according to the different reaction processes. The increased cycling numbers could develop the wave-like nano-sized carbon coils. By further increasing the cycling numbers, however, the nanostructured carbon coils seemed to deteriorate. As a result, the maximum formation of geometrically controlled carbon coils was achieved by adjusting the cycling numbers. The enhanced etching capability of the fluorine-related species in SF6 additive gas was considered for the main objective of controlling the geometry of carbon coils.

  6. Geometric spin Hall effect of light with inhomogeneous polarization

    NASA Astrophysics Data System (ADS)

    Ling, Xiaohui; Zhou, Xinxing; Yi, Xunong

    2017-01-01

    The spin Hall effect of light originates from spin-orbit interaction of light, which manifests two types of geometric phases. In this paper, we report the observation of a geometric spin Hall effect by generating a light beam with inhomogeneous polarization distribution. Unlike the previously reported geometric spin Hall effect observed in a tilted beam-detector system, which is believed to result from an effective spin-redirection Berry geometric phase, the geometric spin Hall effect demonstrated here is attributed to an effective, spatially varying Pancharatnam-Berry geometric phase generated by the inhomogeneous polarization geometry. Our further experiments show that the geometric spin Hall effect can be tuned by tailoring the polarization geometry of light, demonstrating the spin states of photons can be steered with a great flexibility.

  7. Geometrically Induced Interactions and Bifurcations

    NASA Astrophysics Data System (ADS)

    Binder, Bernd

    2010-01-01

    In order to evaluate the proper boundary conditions in spin dynamics eventually leading to the emergence of natural and artificial solitons providing for strong interactions and potentials with monopole charges, the paper outlines a new concept referring to a curvature-invariant formalism, where superintegrability is given by a special isometric condition. Instead of referring to the spin operators and Casimir/Euler invariants as the generator of rotations, a curvature-invariant description is introduced utilizing a double Gudermann mapping function (generator of sine Gordon solitons and Mercator projection) cross-relating two angular variables, where geometric phases and rotations arise between surfaces of different curvature. Applying this stereographic projection to a superintegrable Hamiltonian can directly map linear oscillators to Kepler/Coulomb potentials and/or monopoles with Pöschl-Teller potentials and vice versa. In this sense a large scale Kepler/Coulomb (gravitational, electro-magnetic) wave dynamics with a hyperbolic metric could be mapped as a geodesic vertex flow to a local oscillator singularity (Dirac monopole) with spherical metrics and vice versa. Attracting fixed points and dynamic constraints are given by special isometries with magic precession angles. The nonlinear angular encoding directly provides for a Shannon mutual information entropy measure of the geodesic phase space flow. The emerging monopole patterns show relations to spiral Fresnel holography and Berry/Aharonov-Bohm geometric phases subject to bifurcation instabilities and singularities from phase ambiguities due to a local (entropy) overload. Neutral solitons and virtual patterns emerging and mediating in the overlap region between charged or twisted holographic patterns are visualized and directly assigned to the Berry geometric phase revealing the role of photons, neutrons, and neutrinos binding repulsive charges in Coulomb, strong and weak interaction.

  8. Exploring New Geometric Worlds

    ERIC Educational Resources Information Center

    Nirode, Wayne

    2015-01-01

    When students work with a non-Euclidean distance formula, geometric objects such as circles and segment bisectors can look very different from their Euclidean counterparts. Students and even teachers can experience the thrill of creative discovery when investigating these differences among geometric worlds. In this article, the author describes a…

  9. Local v/a variations as a measure of structural packing frustration in bicontinuous mesophases, and geometric arguments for an alternating Imoverline{{mathsf3}}m (I-WP) phase in block-copolymers with polydispersity

    NASA Astrophysics Data System (ADS)

    Schröder-Turk, G. E.; Fogden, A.; Hyde, S. T.

    2007-09-01

    This article explores global geometric features of bicontinuous space-partitions and their relevance to self-assembly of block-copolymers. Using a robust definition of `local channel radius', based on the concept of a medial surface [Schröder et al., Eur. Phys. J. B 35, 551 (2003)], we relate radius variations of the space-partition to polymolecular chain stretching in bicontinuous diblock- and terblock copolymer assemblies. We associate local surface patches with corresponding cellular volume elements, to define local volume-to-surface ratios. The distribution of these v/a ratios and of the channel radii are used to quantify the degree of packing frustration of molecular chains as a function of the specific bicontinuous geometry, modelled by triply-periodic minimal surfaces and related parallel interfaces. The Gyroid geometry emerges as the most nearly homogeneous bicontinuous form, with the smallest heterogeneity of channel radii, compared to the cubic Primitive and Diamond surfaces. We clarify a geometric feature of the Gyroid geometry: the three-coordinated nodes of the graph are not the widest points of the labyrinths; the widest points are at the midpoints of the edges. We also explore a more complex cubic triply-periodic surface, the I-WP surface, containing two geometrically distinct channel subdomains. One of the two channel systems is nearly as homogeneous in local channel diameters as the Gyroid, the other is more heterogeneous than the Primitive surface. Its hybrid nature suggests the possibility of an “alternating I-WP” phase in polydisperse linear ABC-terpolymer blends, with monodisperse molecular weight distributions (MWD) in the A and B blocks and a more polydisperse C block. Abbreviations used throughout this article: CMC: constant mean curvature, IMDS: inter-material dividing surface, TPMS: triply-periodic minimal surface, MS: medial surface, K: Gaussian curvature, H: mean curvature, SCFT: self-consistent field theory, LG: labyrinth graph

  10. Polar metals by geometric design

    NASA Astrophysics Data System (ADS)

    Kim, T. H.; Puggioni, D.; Yuan, Y.; Xie, L.; Zhou, H.; Campbell, N.; Ryan, P. J.; Choi, Y.; Kim, J.-W.; Patzner, J. R.; Ryu, S.; Podkaminer, J. P.; Irwin, J.; Ma, Y.; Fennie, C. J.; Rzchowski, M. S.; Pan, X. Q.; Gopalan, V.; Rondinelli, J. M.; Eom, C. B.

    2016-05-01

    Gauss’s law dictates that the net electric field inside a conductor in electrostatic equilibrium is zero by effective charge screening; free carriers within a metal eliminate internal dipoles that may arise owing to asymmetric charge distributions. Quantum physics supports this view, demonstrating that delocalized electrons make a static macroscopic polarization, an ill-defined quantity in metals—it is exceedingly unusual to find a polar metal that exhibits long-range ordered dipoles owing to cooperative atomic displacements aligned from dipolar interactions as in insulating phases. Here we describe the quantum mechanical design and experimental realization of room-temperature polar metals in thin-film ANiO3 perovskite nickelates using a strategy based on atomic-scale control of inversion-preserving (centric) displacements. We predict with ab initio calculations that cooperative polar A cation displacements are geometrically stabilized with a non-equilibrium amplitude and tilt pattern of the corner-connected NiO6 octahedra—the structural signatures of perovskites—owing to geometric constraints imposed by the underlying substrate. Heteroepitaxial thin-films grown on LaAlO3 (111) substrates fulfil the design principles. We achieve both a conducting polar monoclinic oxide that is inaccessible in compositionally identical films grown on (001) substrates, and observe a hidden, previously unreported, non-equilibrium structure in thin-film geometries. We expect that the geometric stabilization approach will provide novel avenues for realizing new multifunctional materials with unusual coexisting properties.

  11. Polar Metals by Geometric Design

    SciTech Connect

    Kim, T. H.; Puggioni, D.; Yuan, Y.; Xie, L.; Zhou, H.; Campbell, N.; Ryan, P. J.; Choi, Y.; Kim, J. -W.; Patzner, J. R.; Ryu, S.; Podkaminer, J. P.; Irwin, J.; Ma, Y.; Fennie, C. J.; Rzchowski, M. S.; Pan, X. Q.; Gopalan, V.; Rondinelli, J. M.; Eom, C. B.

    2016-05-05

    Gauss's law dictates that the net electric field inside a conductor in electrostatic equilibrium is zero by effective charge screening; free carriers within a metal eliminate internal dipoles that may arise owing to asymmetric charge distributions(1). Quantum physics supports this view(2), demonstrating that delocalized electrons make a static macroscopic polarization, an ill-defined quantity in metals(3)-it is exceedingly unusual to find a polar metal that exhibits long-range ordered dipoles owing to cooperative atomic displacements aligned from dipolar interactions as in insulating phases(4). Here we describe the quantum mechanical design and experimental realization of room-temperature polar metals in thin-film ANiO(3) perovskite nickelates using a strategy based on atomic-scale control of inversion-preserving (centric) displacements(5). We predict with ab initio calculations that cooperative polar A cation displacements are geometrically stabilized with a non-equilibrium amplitude and tilt pattern of the corner-connected NiO6 octahedra-the structural signatures of perovskites-owing to geometric constraints imposed by the underlying substrate. Heteroepitaxial thin-films grown on LaAlO3 (111) substrates fulfil the design principles. We achieve both a conducting polar monoclinic oxide that is inaccessible in compositionally identical films grown on (001) substrates, and observe a hidden, previously unreported(6-10), non-equilibrium structure in thin-film geometries. We expect that the geometric stabilization approach will provide novel avenues for realizing new multifunctional materials with unusual coexisting properties.

  12. Inflation from geometrical tachyons

    SciTech Connect

    Thomas, Steven; Ward, John

    2005-10-15

    We propose an alternative formulation of tachyon inflation using the geometrical tachyon arising from the time dependent motion of a BPS D3-brane in the background geometry due to k parallel NS5-branes arranged around a ring of radius R. Because of the fact that the mass of this geometrical tachyon field is {radical}(2/k) times smaller than the corresponding open-string tachyon mass, we find that the slow-roll conditions for inflation and the number of e-foldings can be satisfied in a manner that is consistent with an effective 4-dimensional model and with a perturbative string coupling. We also show that the metric perturbations produced at the end of inflation can be sufficiently small and do not lead to the inconsistencies that plague the open-string tachyon models. Finally we argue for the existence of a minimum of the geometrical tachyon potential which could give rise to a traditional reheating mechanism.

  13. Chiral models: Geometrical aspects

    NASA Astrophysics Data System (ADS)

    Perelomov, A. M.

    1987-02-01

    Two-dimensional classical chiral models of field theory are considered, the main attention being paid on geometrical aspects of such theories. A characteristic feature of these models is that the interaction is inserted not by adding the interaction Lagrangian to the free field Lagrangian, but has a purely geometrical origin and is related to the inner curvature of the manifold. These models are in many respects analogous to non-Abelian gauge theories and as became clear recently, they are also important for the superstring theory which nowadays is the most probable candidate for a truly unified theory of all interactions including gravitation.

  14. On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data.

    PubMed

    Malbon, Christopher L; Zhu, Xiaolei; Guo, Hua; Yarkony, David R

    2016-12-21

    For two electronic states coupled by conical intersections, the line integral of the derivative coupling can be used to construct a complex-valued multiplicative phase factor that makes the real-valued adiabatic electronic wave function single-valued, provided that the curl of the derivative coupling is zero. Unfortunately for ab initio determined wave functions, the curl is never rigorously zero. However, when the wave functions are determined from a coupled two diabatic state Hamiltonian H(d) (fit to ab initio data), the resulting derivative couplings are by construction curl free, except at points of conical intersection. In this work we focus on a recently introduced diabatization scheme that produces the H(d) by fitting ab initio determined energies, energy gradients, and derivative couplings to the corresponding H(d) determined quantities in a least squares sense, producing a removable approximation to the ab initio determined derivative coupling. This approach and related numerical issues associated with the nonremovable ab initio derivative couplings are illustrated using a full 33-dimensional representation of phenol photodissociation. The use of this approach to provide a general framework for treating the molecular Aharonov Bohm effect is demonstrated.

  15. On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data

    NASA Astrophysics Data System (ADS)

    Malbon, Christopher L.; Zhu, Xiaolei; Guo, Hua; Yarkony, David R.

    2016-12-01

    For two electronic states coupled by conical intersections, the line integral of the derivative coupling can be used to construct a complex-valued multiplicative phase factor that makes the real-valued adiabatic electronic wave function single-valued, provided that the curl of the derivative coupling is zero. Unfortunately for ab initio determined wave functions, the curl is never rigorously zero. However, when the wave functions are determined from a coupled two diabatic state Hamiltonian Hd (fit to ab initio data), the resulting derivative couplings are by construction curl free, except at points of conical intersection. In this work we focus on a recently introduced diabatization scheme that produces the Hd by fitting ab initio determined energies, energy gradients, and derivative couplings to the corresponding Hd determined quantities in a least squares sense, producing a removable approximation to the ab initio determined derivative coupling. This approach and related numerical issues associated with the nonremovable ab initio derivative couplings are illustrated using a full 33-dimensional representation of phenol photodissociation. The use of this approach to provide a general framework for treating the molecular Aharonov Bohm effect is demonstrated.

  16. Geometric Series via Probability

    ERIC Educational Resources Information Center

    Tesman, Barry

    2012-01-01

    Infinite series is a challenging topic in the undergraduate mathematics curriculum for many students. In fact, there is a vast literature in mathematics education research on convergence issues. One of the most important types of infinite series is the geometric series. Their beauty lies in the fact that they can be evaluated explicitly and that…

  17. A Geometric Scavenger Hunt

    ERIC Educational Resources Information Center

    Smart, Julie; Marshall, Jeff

    2007-01-01

    Children possess a genuine curiosity for exploring the natural world around them. One third grade teacher capitalized on this inherent trait by leading her students on "A Geometric Scavenger Hunt." The four-lesson inquiry investigation described in this article integrates mathematics and science. Among the students' discoveries was the fact that…

  18. Geometric grid generation

    NASA Technical Reports Server (NTRS)

    Ives, David

    1995-01-01

    This paper presents a highly automated hexahedral grid generator based on extensive geometrical and solid modeling operations developed in response to a vision of a designer-driven one day turnaround CFD process which implies a designer-driven one hour grid generation process.

  19. Untangling Geometric Ideas

    ERIC Educational Resources Information Center

    Burgess, Claudia R.

    2014-01-01

    Designed for a broad audience, including educators, camp directors, afterschool coordinators, and preservice teachers, this investigation aims to help individuals experience mathematics in unconventional and exciting ways by engaging them in the physical activity of building geometric shapes using ropes. Through this engagement, the author…

  20. Pragmatic geometric model evaluation

    NASA Astrophysics Data System (ADS)

    Pamer, Robert

    2015-04-01

    Quantification of subsurface model reliability is mathematically and technically demanding as there are many different sources of uncertainty and some of the factors can be assessed merely in a subjective way. For many practical applications in industry or risk assessment (e. g. geothermal drilling) a quantitative estimation of possible geometric variations in depth unit is preferred over relative numbers because of cost calculations for different scenarios. The talk gives an overview of several factors that affect the geometry of structural subsurface models that are based upon typical geological survey organization (GSO) data like geological maps, borehole data and conceptually driven construction of subsurface elements (e. g. fault network). Within the context of the trans-European project "GeoMol" uncertainty analysis has to be very pragmatic also because of different data rights, data policies and modelling software between the project partners. In a case study a two-step evaluation methodology for geometric subsurface model uncertainty is being developed. In a first step several models of the same volume of interest have been calculated by omitting successively more and more input data types (seismic constraints, fault network, outcrop data). The positions of the various horizon surfaces are then compared. The procedure is equivalent to comparing data of various levels of detail and therefore structural complexity. This gives a measure of the structural significance of each data set in space and as a consequence areas of geometric complexity are identified. These areas are usually very data sensitive hence geometric variability in between individual data points in these areas is higher than in areas of low structural complexity. Instead of calculating a multitude of different models by varying some input data or parameters as it is done by Monte-Carlo-simulations, the aim of the second step of the evaluation procedure (which is part of the ongoing work) is to

  1. CAM - Geometric systems integration

    NASA Astrophysics Data System (ADS)

    Dunlap, G. C.

    The integration of geometric and nongeometric information for efficient use of CAM is examined. Requirements for engineering drawings requested by management are noted to involve large volumes of nongeometric data to define the materials and quantity variables which impinge on the required design, so that the actual design may be the last and smaller step in the CAM process. Geometric classification and coding are noted to offer an alpha/numeric identifier for integrating the engineering design, manufacturing, and quality assurance functions. An example is provided of a turbine gear part coding in terms of polycode and monocode displays, showing a possible covering of more than 10 trillion features. Software is stressed as the key to integration of company-wide data.

  2. Geometric measures of entanglement

    SciTech Connect

    Uyanik, K.; Turgut, S.

    2010-03-15

    The geometric measure of entanglement, which expresses the minimum distance to product states, has been generalized to distances to sets that remain invariant under the stochastic reducibility relation. For each such set, an associated entanglement monotone can be defined. The explicit analytical forms of these measures are obtained for bipartite entangled states. Moreover, the three-qubit case is discussed and it is argued that the distance to the W states is a new monotone.

  3. Geometrical deuteron stripping revisited

    SciTech Connect

    Neoh, Y. S.; Yap, S. L.

    2014-03-05

    We investigate the reality of the idea of geometrical deuteron stripping originally envisioned by Serber. By taking into account of realistic deuteron wavefunction, nuclear density, and nucleon stopping mean free path, we are able to estimate inclusive deuteron stripping cross section for deuteron energy up to before pion production. Our semiclassical model contains only one global parameter constant for all nuclei which can be approximated by Woods-Saxon or any other spherically symmetric density distribution.

  4. Geometric quantum gates that are robust against stochastic control errors

    SciTech Connect

    Zhu Shiliang; Zanardi, Paolo

    2005-08-15

    The realistic application of geometric quantum computation is crucially dependent on an unproved robustness conjecture, claiming that geometric quantum gates are more resilient against random noise than dynamic gates. We propose a suitable model that allows a direct and fair comparison between geometrical and dynamical operations. In the presence of stochastic control errors we find that the maximum of gate fidelity corresponds to quantum gates with a vanishing dynamical phase. This is a clear evidence for the robustness of nonadiabatic geometric quantum computation. The predictions here presented can be experimentally tested in almost all of the already existing quantum computer candidates.

  5. Quantum computation using geometric algebra

    NASA Astrophysics Data System (ADS)

    Matzke, Douglas James

    This dissertation reports that arbitrary Boolean logic equations and operators can be represented in geometric algebra as linear equations composed entirely of orthonormal vectors using only addition and multiplication Geometric algebra is a topologically based algebraic system that naturally incorporates the inner and anticommutative outer products into a real valued geometric product, yet does not rely on complex numbers or matrices. A series of custom tools was designed and built to simplify geometric algebra expressions into a standard sum of products form, and automate the anticommutative geometric product and operations. Using this infrastructure, quantum bits (qubits), quantum registers and EPR-bits (ebits) are expressed symmetrically as geometric algebra expressions. Many known quantum computing gates, measurement operators, and especially the Bell/magic operators are also expressed as geometric products. These results demonstrate that geometric algebra can naturally and faithfully represent the central concepts, objects, and operators necessary for quantum computing, and can facilitate the design and construction of quantum computing tools.

  6. Geometric aspects of ordering phenomena

    NASA Astrophysics Data System (ADS)

    Cugliandolo, Leticia F.

    2017-01-01

    A macroscopic system prepared in a disordered phase and quenched across a second-order phase transition into an ordered phase undergoes a coarsening process whereby it orders locally in one of the equilibrium states. The study of the evolution of the morphology of the ordered structures in two dimensions has recently unveiled two interesting and generic features. On the one hand, the dynamics first approach a critical percolating state via the growth of a new lengthscale and satisfying scaling properties with respect to it. The time needed to reach the critical percolating state diverges with the system size, though more weakly than the equilibration time. On the other hand, once the critical percolating structures established, the geometrical and statistical properties at larger scales than the one established by the usual dynamic growing length remain the ones of critical percolation. These observations are common to different microscopic dynamics (single spin flip, local and non-local spin exchange, voter) in pure or weakly disordered systems. We discuss these results and we refer to the relevant publications for details. xml:lang="fr"

  7. Representing geometrical knowledge.

    PubMed

    Anderson, J A

    1997-08-29

    This paper introduces perspex algebra which is being developed as a common representation of geometrical knowledge. A perspex can currently be interpreted in one of four ways. First, the algebraic perspex is a generalization of matrices, it provides the most general representation for all of the interpretations of a perspex. The algebraic perspex can be used to describe arbitrary sets of coordinates. The remaining three interpretations of the perspex are all related to square matrices and operate in a Euclidean model of projective space-time, called perspex space. Perspex space differs from the usual Euclidean model of projective space in that it contains the point at nullity. It is argued that the point at nullity is necessary for a consistent account of perspective in top-down vision. Second, the geometric perspex is a simplex in perspex space. It can be used as a primitive building block for shapes, or as a way of recording landmarks on shapes. Third, the transformational perspex describes linear transformations in perspex space that provide the affine and perspective transformations in space-time. It can be used to match a prototype shape to an image, even in so called 'accidental' views where the depth of an object disappears from view, or an object stays in the same place across time. Fourth, the parametric perspex describes the geometric and transformational perspexes in terms of parameters that are related to everyday English descriptions. The parametric perspex can be used to obtain both continuous and categorical perception of objects. The paper ends with a discussion of issues related to using a perspex to describe logic.

  8. Representing geometrical knowledge.

    PubMed Central

    Anderson, J A

    1997-01-01

    This paper introduces perspex algebra which is being developed as a common representation of geometrical knowledge. A perspex can currently be interpreted in one of four ways. First, the algebraic perspex is a generalization of matrices, it provides the most general representation for all of the interpretations of a perspex. The algebraic perspex can be used to describe arbitrary sets of coordinates. The remaining three interpretations of the perspex are all related to square matrices and operate in a Euclidean model of projective space-time, called perspex space. Perspex space differs from the usual Euclidean model of projective space in that it contains the point at nullity. It is argued that the point at nullity is necessary for a consistent account of perspective in top-down vision. Second, the geometric perspex is a simplex in perspex space. It can be used as a primitive building block for shapes, or as a way of recording landmarks on shapes. Third, the transformational perspex describes linear transformations in perspex space that provide the affine and perspective transformations in space-time. It can be used to match a prototype shape to an image, even in so called 'accidental' views where the depth of an object disappears from view, or an object stays in the same place across time. Fourth, the parametric perspex describes the geometric and transformational perspexes in terms of parameters that are related to everyday English descriptions. The parametric perspex can be used to obtain both continuous and categorical perception of objects. The paper ends with a discussion of issues related to using a perspex to describe logic. PMID:9304680

  9. Demonstration of geometric Landau-Zener interferometry in a superconducting qubit.

    PubMed

    Tan, Xinsheng; Zhang, Dan-Wei; Zhang, Zhentao; Yu, Yang; Han, Siyuan; Zhu, Shi-Liang

    2014-01-17

    Geometric quantum manipulation and Landau-Zener interferometry have been separately explored in many quantum systems. In this Letter, we combine these two approaches to study the dynamics of a superconducting phase qubit. We experimentally demonstrate Landau-Zener interferometry based on the pure geometric phases in this solid-state qubit. We observe the interference caused by a pure geometric phase accumulated in the evolution between two consecutive Landau-Zener transitions, while the dynamical phase is canceled out by a spin-echo pulse. The full controllability of the qubit state as a function of the intrinsically robust geometric phase provides a promising approach for quantum state manipulation.

  10. Multiphase flow in geometrically simple fracture intersections

    USGS Publications Warehouse

    Basagaoglu, H.; Meakin, P.; Green, C.T.; Mathew, M.; ,

    2006-01-01

    A two-dimensional lattice Boltzmann (LB) model with fluid-fluid and solid-fluid interaction potentials was used to study gravity-driven flow in geometrically simple fracture intersections. Simulated scenarios included fluid dripping from a fracture aperture, two-phase flow through intersecting fractures and thin-film flow on smooth and undulating solid surfaces. Qualitative comparisons with recently published experimental findings indicate that for these scenarios the LB model captured the underlying physics reasonably well.

  11. Geometrical pattern learning

    SciTech Connect

    Goldberg, P.W.

    1993-04-01

    In this paper we consider the problem of learning the positions of spheres in metric spaces, given as data randomly drawn points classified according to whether they are internal or external to an unknown sphere. The particular metrics under consideration are geometrical shape metrics, and the results are intended to be applicable to the problem of learning to identify a shape from related shapes classified according to whether they resemble it visually. While it is typically NP-hard to locate a central point for a hypothesis sphere, we find that it is however often possible to obtain a non-spherical hypothesis which can accurately predict whether further random points lie within the unknown sphere. We exhibit algorithms which achieve this, and in the process indicate useful general techniques for computational learning. Finally we exhibit a natural shape metric and show that it defines a class of spheres not predictable in this sense, subject to standard cryptographic assumptions.

  12. Experimental studies of the NaCs 12(0(+)) [7(1)Σ(+)] state: Spin-orbit and non-adiabatic interactions and quantum interference in the 12(0(+)) [7(1)Σ(+)] and 11(0(+)) [5(3)Π0] emission spectra.

    PubMed

    Faust, C; Jones, J; Huennekens, J; Field, R W

    2017-03-14

    We present results from experimental studies of the 11(0(+)) and 12(0(+)) electronic states of the NaCs molecule. An optical-optical double resonance method is used to obtain Doppler-free excitation spectra. Selected data from the 11(0(+)) and 12(0(+)) high-lying electronic states are used to obtain Rydberg-Klein-Rees and Inverse Perturbation Approach potential energy curves. Interactions between these two electronic states are evident in the patterns observed in the bound-bound and bound-free fluorescence spectra. A model, based on two separate interaction mechanisms, is presented to describe how the wavefunctions of the two states mix. The electronic parts of the wavefunctions interact via spin-orbit coupling, while the individual rotation-vibration levels interact via a second mechanism, which is likely to be non-adiabatic coupling. A modified version of the BCONT program was used to simulate resolved fluorescence from both upper states. Parameters of the model that describe the two interaction mechanisms were varied until simulations were able to adequately reproduce experimental spectra.

  13. Measurement of geometric dephasing using a superconducting qubit

    PubMed Central

    Berger, S.; Pechal, M.; Kurpiers, P.; Abdumalikov, A. A.; Eichler, C.; Mlynek, J. A.; Shnirman, A.; Gefen, Yuval; Wallraff, A.; Filipp, S.

    2015-01-01

    A quantum system interacting with its environment is subject to dephasing, which ultimately destroys the information it holds. Here we use a superconducting qubit to experimentally show that this dephasing has both dynamic and geometric origins. It is found that geometric dephasing, which is present even in the adiabatic limit and when no geometric phase is acquired, can either reduce or restore coherence depending on the orientation of the path the qubit traces out in its projective Hilbert space. It accompanies the evolution of any system in Hilbert space subjected to noise. PMID:26515812

  14. Geometric Quantization and Foliation Reduction

    NASA Astrophysics Data System (ADS)

    Skerritt, Paul

    A standard question in the study of geometric quantization is whether symplectic reduction interacts nicely with the quantized theory, and in particular whether "quantization commutes with reduction." Guillemin and Sternberg first proposed this question, and answered it in the affirmative for the case of a free action of a compact Lie group on a compact Kahler manifold. Subsequent work has focused mainly on extending their proof to non-free actions and non-Kahler manifolds. For realistic physical examples, however, it is desirable to have a proof which also applies to non-compact symplectic manifolds. In this thesis we give a proof of the quantization-reduction problem for general symplectic manifolds. This is accomplished by working in a particular wavefunction representation, associated with a polarization that is in some sense compatible with reduction. While the polarized sections described by Guillemin and Sternberg are nonzero on a dense subset of the Kahler manifold, the ones considered here are distributional, having support only on regions of the phase space associated with certain quantized, or "admissible", values of momentum. We first propose a reduction procedure for the prequantum geometric structures that "covers" symplectic reduction, and demonstrate how both symplectic and prequantum reduction can be viewed as examples of foliation reduction. Consistency of prequantum reduction imposes the above-mentioned admissibility conditions on the quantized momenta, which can be seen as analogues of the Bohr-Wilson-Sommerfeld conditions for completely integrable systems. We then describe our reduction-compatible polarization, and demonstrate a one-to-one correspondence between polarized sections on the unreduced and reduced spaces. Finally, we describe a factorization of the reduced prequantum bundle, suggested by the structure of the underlying reduced symplectic manifold. This in turn induces a factorization of the space of polarized sections that agrees

  15. Geometric Effects on Electron Cloud

    SciTech Connect

    Wang, L

    2007-07-06

    The development of an electron cloud in the vacuum chambers of high intensity positron and proton storage rings may limit the machine performances by inducing beam instabilities, beam emittance increase, beam loss, vacuum pressure increases and increased heat load on the vacuum chamber wall. The electron multipacting is a kind of geometric resonance phenomenon and thus is sensitive to the geometric parameters such as the aperture of the beam pipe, beam shape and beam bunch fill pattern, etc. This paper discusses the geometric effects on the electron cloud build-up in a beam chamber and examples are given for different beams and accelerators.

  16. Non-adiabatic corrections to the quasiparticle self-energy

    NASA Astrophysics Data System (ADS)

    Danylenko, Oleksiy V.; Dolgov, Oleg V.; Losyakov, Vladimir V.

    1996-02-01

    High T c superconductors and fullerenes seem to be characterized by very small bandwidths of the order of phonon frequencies. This may imply a breakdown of Migdal's theorem for the electron self-energy. There are two different approaches to the problem. The gauge-invariant self-consistent method proposed by Y. Takada includes many vertex corrections using the Ward identity. The other method by C. Grimaldi, L. Pietronero and S. Strässler (GPS) based on Migdal's idea uses the first correction to the unit vertex. These two approaches have been compared and the main results are the following: 1) Takada's method for the self-energy gives incorrect order in the Migdal parameter λΩ ph /ɛ F , 2) in GPS's method the momentum cut-off offered by the authors cannot be used as a free parameter, and 3) there is a possible instability which can be ascribed to appearing of polaron states.

  17. Activities: Geometric Transformations. Part 2.

    ERIC Educational Resources Information Center

    Eddins, Susan K.; And Others

    1994-01-01

    Presents a lesson that connects basic transformational concepts with transformations on a Cartesian-coordinate system, culminating with the application of matrix operations to perform geometric transformations. Includes reproducible student worksheets and assessment activities. (MKR)

  18. Guitars, Violins, and Geometric Sequences

    ERIC Educational Resources Information Center

    Barger, Rita; Haehl, Martha

    2007-01-01

    This article describes middle school mathematics activities that relate measurement, ratios, and geometric sequences to finger positions or the placement of frets on stringed musical instruments. (Contains 2 figures and 2 tables.)

  19. Geometrical Monte Carlo simulation of atmospheric turbulence

    NASA Astrophysics Data System (ADS)

    Yuksel, Demet; Yuksel, Heba

    2013-09-01

    Atmospheric turbulence has a significant impact on the quality of a laser beam propagating through the atmosphere over long distances. Turbulence causes intensity scintillation and beam wander from propagation through turbulent eddies of varying sizes and refractive index. This can severely impair the operation of target designation and Free-Space Optical (FSO) communications systems. In addition, experimenting on an FSO communication system is rather tedious and difficult. The interferences of plentiful elements affect the result and cause the experimental outcomes to have bigger error variance margins than they are supposed to have. Especially when we go into the stronger turbulence regimes the simulation and analysis of the turbulence induced beams require delicate attention. We propose a new geometrical model to assess the phase shift of a laser beam propagating through turbulence. The atmosphere along the laser beam propagation path will be modeled as a spatial distribution of spherical bubbles with refractive index discontinuity calculated from a Gaussian distribution with the mean value being the index of air. For each statistical representation of the atmosphere, the path of rays will be analyzed using geometrical optics. These Monte Carlo techniques will assess the phase shift as a summation of the phases that arrive at the same point at the receiver. Accordingly, there would be dark and bright spots at the receiver that give an idea regarding the intensity pattern without having to solve the wave equation. The Monte Carlo analysis will be compared with the predictions of wave theory.

  20. Advances in Geometric Acoustic Propagation Modeling Methods

    NASA Astrophysics Data System (ADS)

    Blom, P. S.; Arrowsmith, S.

    2013-12-01

    Geometric acoustics provides an efficient numerical method to model propagation effects. At leading order, one can identify ensonified regions and calculate celerities of the predicted arrivals. Beyond leading order, the solution of the transport equation provides a means to estimate the amplitude of individual acoustic phases. The auxiliary parameters introduced in solving the transport equation have been found to provide a means of identifying ray paths connecting source and receiver, or eigenrays, for non-planar propagation. A detailed explanation of the eigenray method will be presented as well as an application to predicting azimuth deviations for infrasonic data recorded during the Humming Roadrunner experiment of 2012.

  1. Antenna with Dielectric Having Geometric Patterns

    NASA Technical Reports Server (NTRS)

    Dudley, Kenneth L. (Inventor); Elliott, Holly A. (Inventor); Cravey, Robin L. (Inventor); Connell, John W. (Inventor); Ghose, Sayata (Inventor); Watson, Kent A. (Inventor); Smith, Jr., Joseph G. (Inventor)

    2013-01-01

    An antenna includes a ground plane, a dielectric disposed on the ground plane, and an electrically-conductive radiator disposed on the dielectric. The dielectric includes at least one layer of a first dielectric material and a second dielectric material that collectively define a dielectric geometric pattern, which may comprise a fractal geometry. The radiator defines a radiator geometric pattern, and the dielectric geometric pattern is geometrically identical, or substantially geometrically identical, to the radiator geometric pattern.

  2. Current carriers in the near-earth cross-tail current sheet during substorm growth phase

    NASA Technical Reports Server (NTRS)

    Mitchell, D. G.; Williams, D. J.; Huang, C. Y.; Frank, L. A.; Russell, C. T.

    1990-01-01

    Throughout most of the growth phase of a substorm, the cross-tail current at x about -10 Re can be supplied by the curvature drift of a bi-directional field aligned distribution of 1 keV electrons. Just prior to its local disruption after substorm onset, the cross-tail current in the now thin (about 400 km) current sheet is carried by the cross-tail serpentine motion of non-adiabatic ions (Speiser, 1965). The instability of this latter current leads to the local disruption of the near-earth current sheet.

  3. Geometric defects in quantum Hall states

    NASA Astrophysics Data System (ADS)

    Gromov, Andrey

    2016-08-01

    We describe a geometric (or gravitational) analog of the Laughlin quasiholes in fractional quantum Hall states. Analogously to the quasiholes, these defects can be constructed by an insertion of an appropriate vertex operator into the conformal block representation of a trial wave function; however, unlike the quasiholes these defects are extrinsic and do not correspond to true excitations of the quantum fluid. We construct a wave function in the presence of such defects and explain how to assign an electric charge and a spin to each defect and calculate the adiabatic, non-Abelian statistics of the defects. The defects turn out to be equivalent to the genons in that their adiabatic exchange statistics can be described in terms of representations of the mapping class group of an appropriate higher genus Riemann surface. We present a general construction that, in principle, makes it possible to calculate the statistics of Zn genons for any "parent" topological phase. We illustrate the construction on the example of the Laughlin state and perform an explicit calculation of the braiding matrices. In addition to non-Abelian statistics, geometric defects possess a universal Abelian overall phase, determined by the gravitational anomaly.

  4. Geometric scalar theory of gravity

    SciTech Connect

    Novello, M.; Bittencourt, E.; Goulart, E.; Salim, J.M.; Toniato, J.D.; Moschella, U. E-mail: eduhsb@cbpf.br E-mail: egoulart@cbpf.br E-mail: toniato@cbpf.br

    2013-06-01

    We present a geometric scalar theory of gravity. Our proposal will be described using the ''background field method'' introduced by Gupta, Feynman, Deser and others as a field theory formulation of general relativity. We analyze previous criticisms against scalar gravity and show how the present proposal avoids these difficulties. This concerns not only the theoretical complaints but also those related to observations. In particular, we show that the widespread belief of the conjecture that the source of scalar gravity must be the trace of the energy-momentum tensor — which is one of the main difficulties to couple gravity with electromagnetic phenomenon in previous models — does not apply to our geometric scalar theory. From the very beginning this is not a special relativistic scalar gravity. The adjective ''geometric'' pinpoints its similarity with general relativity: this is a metric theory of gravity. Some consequences of this new scalar theory are explored.

  5. Geometrical modelling of textile reinforcements

    NASA Technical Reports Server (NTRS)

    Pastore, Christopher M.; Birger, Alexander B.; Clyburn, Eugene

    1995-01-01

    The mechanical properties of textile composites are dictated by the arrangement of yarns contained with the material. Thus to develop a comprehensive understanding of the performance of these materials, it is necessary to develop a geometrical model of the fabric structure. This task is quite complex, as the fabric is made form highly flexible yarn systems which experience a certain degree of compressability. Furthermore there are tremendous forces acting on the fabric during densification typically resulting in yarn displacement and misorientation. The objective of this work is to develop a methodology for characterizing the geometry of yarns within a fabric structure including experimental techniques for evaluating these models. Furthermore, some applications of these geometric results to mechanical prediction models are demonstrated. Although more costly than its predecessors, the present analysis is based on the detailed architecture developed by one of the authors and his colleagues and accounts for many of the geometric complexities that other analyses ignore.

  6. Structural phase transitions and topological defects in ion Coulomb crystals

    SciTech Connect

    Partner, Heather L.; Nigmatullin, Ramil; Burgermeister, Tobias; Keller, Jonas; Pyka, Karsten; Plenio, Martin B.; Retzker, Alex; Zurek, Wojciech Hubert; del Campo, Adolfo; Mehlstaubler, Tanja E.

    2014-11-19

    We use laser-cooled ion Coulomb crystals in the well-controlled environment of a harmonic radiofrequency ion trap to investigate phase transitions and defect formation. Topological defects in ion Coulomb crystals (kinks) have been recently proposed for studies of nonlinear physics with solitons and as carriers of quantum information. Defects form when a symmetry breaking phase transition is crossed non-adiabatically. For a second order phase transition, the Kibble-Zurek mechanism predicts that the formation of these defects follows a power law scaling in the rate of the transition. We demonstrate a scaling of defect density and describe kink dynamics and stability. We further discuss the implementation of mass defects and electric fields as first steps toward controlled kink preparation and manipulation.

  7. Geometric scaling as traveling waves.

    PubMed

    Munier, S; Peschanski, R

    2003-12-05

    We show the relevance of the nonlinear Fisher and Kolmogorov-Petrovsky-Piscounov (KPP) equation to the problem of high energy evolution of the QCD amplitudes. We explain how the traveling wave solutions of this equation are related to geometric scaling, a phenomenon observed in deep-inelastic scattering experiments. Geometric scaling is for the first time shown to result from an exact solution of nonlinear QCD evolution equations. Using general results on the KPP equation, we compute the velocity of the wave front, which gives the full high energy dependence of the saturation scale.

  8. Supersymmetric chiral models: Geometrical aspects

    NASA Astrophysics Data System (ADS)

    Perelomov, A. M.

    1989-03-01

    We consider classical supersymmetric chiral models of field theory and focus our attention on the geometrical aspects of such theories. A characteristic feature of such models is that the interaction is not introduced by adding the interaction Lagrangian to the free field Lagrangian, but has a purely geometrical origin and is related to the inner curvature of the target manifold. In many aspects these models are analogous to gauge theories and, as became clear recently, they are also important for superstring theory, which nowadays is the most probable candidate for a truly unified theory of all interactions including gravitation.

  9. Effect of geometrical frustration on inverse freezing

    NASA Astrophysics Data System (ADS)

    Schmidt, M.; Morais, C. V.; Zimmer, F. M.

    2016-01-01

    The interplay between geometrical frustration (GF) and inverse freezing (IF) is studied within a cluster approach. The model considers first-neighbor (J1) and second-neighbor (J2) intracluster antiferromagnetic interactions between Ising spins on a checkerboard lattice and long-range disordered couplings (J ) among clusters. We obtain phase diagrams of temperature versus J1/J in two cases: the absence of J2 interaction and the isotropic limit J2=J1 , where GF takes place. An IF reentrant transition from the spin-glass (SG) to paramagnetic (PM) phase is found for a certain range of J1/J in both cases. The J1 interaction leads to a SG state with high entropy at the same time that can introduce a low-entropy PM phase. In addition, it is observed that the cluster size plays an important role. The GF increases the PM phase entropy, but larger clusters can give an entropic advantage for the SG phase that favors IF. Therefore, our results suggest that disordered systems with antiferromagnetic clusters can exhibit an IF transition even in the presence of GF.

  10. Platonic Symmetry and Geometric Thinking

    ERIC Educational Resources Information Center

    Zsombor-Murray, Paul

    2007-01-01

    Cubic symmetry is used to build the other four Platonic solids and some formalism from classical geometry is introduced. Initially, the approach is via geometric construction, e.g., the "golden ratio" is necessary to construct an icosahedron with pentagonal faces. Then conventional elementary vector algebra is used to extract quantitative…

  11. The geometric oblateness of Uranus

    NASA Technical Reports Server (NTRS)

    Franklin, F. A.; Avis, C. C.; Colombo, G.; Shapiro, I. I.

    1980-01-01

    The paper considers photographs of Uranus obtained by the Stratoscope II balloon-borne telescope in 1970. These data have been redigitized and reanalyzed, and the geometric oblateness of Uranus was determined from the isophotes near the limb using an expression in terms of the equatorial and polar radii.

  12. Celestial mechanics with geometric algebra

    NASA Technical Reports Server (NTRS)

    Hestenes, D.

    1983-01-01

    Geometric algebra is introduced as a general tool for Celestial Mechanics. A general method for handling finite rotations and rotational kinematics is presented. The constants of Kepler motion are derived and manipulated in a new way. A new spinor formulation of perturbation theory is developed.

  13. Geometrical relationships specifying the phyllotactic pattern of aquatic plants.

    PubMed

    Kelly, Wanda J; Cooke, Todd J

    2003-08-01

    The complete range of various phyllotaxes exemplified in aquatic plants provide an opportunity to characterize the fundamental geometrical relationships operating in leaf patterning. A new polar-coordinate model was used to characterize the correlation between the shapes of shoot meristems and the arrangements of young leaf primordia arising on those meristems. In aquatic plants, the primary geometrical relationship specifying spiral vs. whorled phyllotaxis is primordial position: primordia arising on the apical dome (as defined by displacement angles θ ≤ 90° during maximal phase) are often positioned in spiral patterns, whereas primordia arising on the subtending axis (as defined by displacement angles of θ ≥ 90° during maximal phase) are arranged in whorled patterns. A secondary geometrical relationship derived from the literature shows an inverse correlation between the primordial size : available space ratio and the magnitude of the Fibonacci numbers in spiral phyllotaxis or the number of leaves per whorl in whorled phyllotaxis. The data available for terrestrial plants suggest that their phyllotactic patterning may also be specified by these same geometrical relationships. Major exceptions to these correlations are attributable to persistent embryonic patterning, leaflike structures arising from stipules, congenital splitting of young primordia, and/or non-uniform elongating of internodes. The geometrical analysis described in this paper provides the morphological context for interpreting the phenotypes of phyllotaxis mutants and for constructing realistic models of the underlying mechanisms responsible for generating phyllotactic patterns.

  14. Geometrical modelling of textile reinforcements

    NASA Technical Reports Server (NTRS)

    Pastore, Christopher M.; Birger, Alexander B.; Clyburn, Eugene

    1995-01-01

    The mechanical properties of textile composites are dictated by the arrangement of yarns contained within the material. Thus, to develop a comprehensive understanding of the performance of these materials, it is necessary to develop a geometrical model of the fabric structure. This task is quite complex, as the fabric is made from highly flexible yarn systems which experience a certain degree of compressibility. Furthermore there are tremendous forces acting on the fabric during densification typically resulting in yarn displacement and misorientation. The objective of this work is to develop a methodology for characterizing the geometry of yarns within a fabric structure including experimental techniques for evaluating these models. Furthermore, some applications of these geometric results to mechanical property predictions models are demonstrated.

  15. The verdict geometric quality library.

    SciTech Connect

    Knupp, Patrick Michael; Ernst, C.D. (Elemental Technologies, Inc., American Fork, UT); Thompson, David C.; Stimpson, C.J.; Pebay, Philippe Pierre

    2006-03-01

    Verdict is a collection of subroutines for evaluating the geometric qualities of triangles, quadrilaterals, tetrahedra, and hexahedra using a variety of metrics. A metric is a real number assigned to one of these shapes depending on its particular vertex coordinates. These metrics are used to evaluate the input to finite element, finite volume, boundary element, and other types of solvers that approximate the solution to partial differential equations defined over regions of space. The geometric qualities of these regions is usually strongly tied to the accuracy these solvers are able to obtain in their approximations. The subroutines are written in C++ and have a simple C interface. Each metric may be evaluated individually or in combination. When multiple metrics are evaluated at once, they share common calculations to lower the cost of the evaluation.

  16. Geometrical interpretation of optical absorption

    SciTech Connect

    Monzon, J. J.; Barriuso, A. G.; Sanchez-Soto, L. L.; Montesinos-Amilibia, J. M.

    2011-08-15

    We reinterpret the transfer matrix for an absorbing system in very simple geometrical terms. In appropriate variables, the system appears as performing a Lorentz transformation in a (1 + 3)-dimensional space. Using homogeneous coordinates, we map that action on the unit sphere, which is at the realm of the Klein model of hyperbolic geometry. The effects of absorption appear then as a loxodromic transformation, that is, a rhumb line crossing all the meridians at the same angle.

  17. A geometric approach to spectral subtraction

    PubMed Central

    Lu, Yang; Loizou, Philipos C.

    2008-01-01

    The traditional power spectral subtraction algorithm is computationally simple to implement but suffers from musical noise distortion. In addition, the subtractive rules are based on incorrect assumptions about the cross terms being zero. A new geometric approach to spectral subtraction is proposed in the present paper that addresses these shortcomings of the spectral subtraction algorithm. A method for estimating the cross terms involving the phase differences between the noisy (and clean) signals and noise is proposed. Analysis of the gain function of the proposed algorithm indicated that it possesses similar properties as the traditional MMSE algorithm. Objective evaluation of the proposed algorithm showed that it performed significantly better than the traditional spectral subtractive algorithm. Informal listening tests revealed that the proposed algorithm had no audible musical noise. PMID:19122867

  18. Manipulating the spin-dependent splitting by geometric Doppler effect.

    PubMed

    Liu, Yachao; Ke, Yougang; Zhou, Junxiao; Luo, Hailu; Wen, Shuangchun

    2015-06-29

    We report the manipulation of spin-dependent splitting by geometric Doppler effect based on dielectric metasurfaces. The extrapolation of rotational Doppler effect from temporal to spatial coordinate gives the phase change when the local optical axes of dielectric metasurfaces are rotating in space. Therefore, the continuous variation of local optical axes in a certain direction will introduce a phase gradient in the same direction at the beam cross section. This is additive to the phase gradient appeared when breaking the rotational symmetry of linearly polarized cylindrical vector beams, which leads to the deflections of different spin components of light, i.e., photonic spin Hall effect. Hence, it is possible to manipulate the spin-dependent splitting by introducing the geometric Doppler effect. Theoretically and experimentally, we show that the magnitude and orientation of the spin-dependent splitting are both tunable when changing the spatial rotation rate of local optical axes and incident polarization.

  19. Rapid geometrical chaotization in slow-fast Hamiltonian systems.

    PubMed

    Artemyev, A V; Neishtadt, A I; Zelenyi, L M

    2014-06-01

    In this Rapid Communication we demonstrate effects of a new mechanism of adiabaticity destruction in Hamiltonian systems with a separatrix in the phase space. In contrast to the slow diffusive-like destruction typical for many systems, this new mechanism is responsible for very fast chaotization in a large phase volume. To investigate this mechanism we consider a Hamiltonian system with two degrees of freedom and with a separatrix in the phase plane of fast variables. The fast chaotization is due to an asymmetry of the separatrix and corresponding geometrical jumps of an adiabatic invariant. This system describes the motion of charged particles in a inhomogeneous electromagnetic field with a specific configuration. We show that geometrical jumps of the adiabatic invariant result in a very fast chaotization of particle motion.

  20. Development of a Geometric Spatial Visualization Tool

    ERIC Educational Resources Information Center

    Ganesh, Bibi; Wilhelm, Jennifer; Sherrod, Sonya

    2009-01-01

    This paper documents the development of the Geometric Spatial Assessment. We detail the development of this instrument which was designed to identify middle school students' strategies and advancement in understanding of four geometric concept domains (geometric spatial visualization, spatial projection, cardinal directions, and periodic patterns)…

  1. Identification of a Griffiths singularity in a geometrically frustrated antiferromagnet

    NASA Astrophysics Data System (ADS)

    Kumar, Jitender; Panja, Soumendra Nath; Dengre, Shanu; Nair, Sunil

    2017-02-01

    We report the observation of a Griffiths phase in the geometrically frustrated antiferromagnet DyBaCo 4O 7 +δ . Its onset is identified using measurements of the thermoremanent magnetization, which appears to be superior to conventional in-field measurement protocols for the characterization of the Griffiths phase. Within this phase, the temporal relaxation of magnetization exhibits a functional form which is expected for Heisenberg systems, reflecting the nature of spin interactions in this class of materials. Interestingly, the effective Co 2 + /Co 3 + ratio tailored by varying the oxygen nonstoichiometry δ is only seen to influence the antiferromagnetic ordering temperature (T N ), leaving the Griffiths temperature (T G ) invariant.

  2. Noncyclic geometric quantum computation in a nuclear-magnetic-resonance system

    SciTech Connect

    Wang, Z. S.; Liu, G. Q.; Ji, Y. H.

    2009-05-15

    A scheme is proposed to include both cyclic and noncyclic geometric quantum computations in nuclear-magnetic-resonance system by the invariant theory. By controlling magnetic field and arbitrary parameters in the invariant operator, the phases accumulated in the entangling quantum gates for single- and two-qubit systems are pure geometric phases. Thus, fault tolerance may occur in some critical magnetic field parameters for either cyclic or noncyclic evolution by differently choosing for gate time.

  3. Emergent geometric frustration of artificial magnetic skyrmion crystals

    SciTech Connect

    Ma, Fusheng; Reichhardt, Charles; Gan, Weiliang; Reichhardt, Cynthia Jane Olson; Lew, Wen Siang

    2016-10-05

    Magnetic skyrmions have been receiving growing attention as potential information storage and magnetic logic devices since an increasing number of materials have been identified that support skyrmion phases. Explorations of artificial frustrated systems have led to new insights into controlling and engineering new emergent frustration phenomena in frustrated and disordered systems. Here, we propose a skyrmion spin ice, giving a unifying framework for the study of geometric frustration of skyrmion crystals (SCs) in a nonfrustrated artificial geometrical lattice as a consequence of the structural confinement of skyrmions in magnetic potential wells. The emergent ice rules from the geometrically frustrated SCs highlight a novel phenomenon in this skyrmion system: emergent geometrical frustration. We demonstrate how SC topology transitions between a nonfrustrated periodic configuration and a frustrated icelike ordering can also be realized reversibly. The proposed artificial frustrated skyrmion systems can be annealed into different ice phases with an applied current-induced spin-transfer torque, including a long-range ordered ice rule obeying ground state, as-relaxed random state, biased state, and monopole state. In conclusion, the spin-torque reconfigurability of the artificial skyrmion ice states, difficult to achieve in other artificial spin ice systems, is compatible with standard spintronic device fabrication technology, which makes the semiconductor industrial integration straightforward.

  4. Emergent geometric frustration of artificial magnetic skyrmion crystals

    NASA Astrophysics Data System (ADS)

    Ma, Fusheng; Reichhardt, C.; Gan, Weiliang; Reichhardt, C. J. Olson; Lew, Wen Siang

    2016-10-01

    Magnetic skyrmions have been receiving growing attention as potential information storage and magnetic logic devices since an increasing number of materials have been identified that support skyrmion phases. Explorations of artificial frustrated systems have led to new insights into controlling and engineering new emergent frustration phenomena in frustrated and disordered systems. Here, we propose a skyrmion spin ice, giving a unifying framework for the study of geometric frustration of skyrmion crystals (SCs) in a nonfrustrated artificial geometrical lattice as a consequence of the structural confinement of skyrmions in magnetic potential wells. The emergent ice rules from the geometrically frustrated SCs highlight a novel phenomenon in this skyrmion system: emergent geometrical frustration. We demonstrate how SC topology transitions between a nonfrustrated periodic configuration and a frustrated icelike ordering can also be realized reversibly. The proposed artificial frustrated skyrmion systems can be annealed into different ice phases with an applied current-induced spin-transfer torque, including a long-range ordered ice rule obeying ground state, as-relaxed random state, biased state, and monopole state. The spin-torque reconfigurability of the artificial skyrmion ice states, difficult to achieve in other artificial spin ice systems, is compatible with standard spintronic device fabrication technology, which makes the semiconductor industrial integration straightforward.

  5. Emergent geometric frustration of artificial magnetic skyrmion crystals

    DOE PAGES

    Ma, Fusheng; Reichhardt, Charles; Gan, Weiliang; ...

    2016-10-05

    Magnetic skyrmions have been receiving growing attention as potential information storage and magnetic logic devices since an increasing number of materials have been identified that support skyrmion phases. Explorations of artificial frustrated systems have led to new insights into controlling and engineering new emergent frustration phenomena in frustrated and disordered systems. Here, we propose a skyrmion spin ice, giving a unifying framework for the study of geometric frustration of skyrmion crystals (SCs) in a nonfrustrated artificial geometrical lattice as a consequence of the structural confinement of skyrmions in magnetic potential wells. The emergent ice rules from the geometrically frustrated SCsmore » highlight a novel phenomenon in this skyrmion system: emergent geometrical frustration. We demonstrate how SC topology transitions between a nonfrustrated periodic configuration and a frustrated icelike ordering can also be realized reversibly. The proposed artificial frustrated skyrmion systems can be annealed into different ice phases with an applied current-induced spin-transfer torque, including a long-range ordered ice rule obeying ground state, as-relaxed random state, biased state, and monopole state. In conclusion, the spin-torque reconfigurability of the artificial skyrmion ice states, difficult to achieve in other artificial spin ice systems, is compatible with standard spintronic device fabrication technology, which makes the semiconductor industrial integration straightforward.« less

  6. Geometric Theory of Hinged Devices

    NASA Astrophysics Data System (ADS)

    Kovalev, M. D.

    1995-02-01

    This article contains results connected with engineering mechanics. Among them are: a theorem "on the nonuniqueness of a statically determinable truss", a classification of hinged mechanisms and their schemes, and an example of a hinged mechanism with variable number of degrees of freedom. The study of general geometric properties is based on the concept, introduced here, of an abstract hinged device in Rd. This concept formalizes a well-known approach in the theory of mechanisms. The formalization gives rise to a number of interesting mathematical questions.

  7. Geometric methods in quantum computation

    NASA Astrophysics Data System (ADS)

    Zhang, Jun

    Recent advances in the physical sciences and engineering have created great hopes for new computational paradigms and substrates. One such new approach is the quantum computer, which holds the promise of enhanced computational power. Analogous to the way a classical computer is built from electrical circuits containing wires and logic gates, a quantum computer is built from quantum circuits containing quantum wires and elementary quantum gates to transport and manipulate quantum information. Therefore, design of quantum gates and quantum circuits is a prerequisite for any real application of quantum computation. In this dissertation we apply geometric control methods from differential geometry and Lie group representation theory to analyze the properties of quantum gates and to design optimal quantum circuits. Using the Cartan decomposition and the Weyl group, we show that the geometric structure of nonlocal two-qubit gates is a 3-Torus. After further reducing the symmetry, the geometric representation of nonlocal gates is seen to be conveniently visualized as a tetrahedron. Each point in this tetrahedron except on the base corresponds to a different equivalent class of nonlocal gates. This geometric representation is one of the cornerstones for the discussion on quantum computation in this dissertation. We investigate the properties of those two-qubit operations that can generate maximal entanglement. It is an astonishing finding that if we randomly choose a two-qubit operation, the probability that we obtain a perfect entangler is exactly one half. We prove that given a two-body interaction Hamiltonian, it is always possible to explicitly construct a quantum circuit for exact simulation of any arbitrary nonlocal two-qubit gate by turning on the two-body interaction for at most three times, together with at most four local gates. We also provide an analytic approach to construct a universal quantum circuit from any entangling gate supplemented with local gates

  8. Geometric reasoning and spatial understanding

    SciTech Connect

    Binford, T.O.

    1982-01-01

    Progress has been made on extensions to ACRONYM which include: representation and reasoning with time, events, and sequences; collaboration with MIT to develop geometric learning: representation of function, and reasoning between structure and function. A new ribbon finder for ACRONYM is under construction. Work in figure/ground separation is underway as a basis for the ribbon finder. Preliminary results are shown in grouping operations to determine regularities in images. A stereo system has been completed which combines edge-based stereo matching with surface interpolation utilizing correspondence of gray levels. Design of a new stereo vision system is underway.

  9. Geometric morphology of granular materials

    NASA Astrophysics Data System (ADS)

    Schlei, Bernd R.; Prasad, Lakshman; Skourikhine, Alexei N.

    2000-10-01

    We present a new method to transform the spectral pixel information of a micrograph into an affine geometric description, which allows us to analyze the morphology of granular materials. We use spectral and pulse-coupled neural network based segmentation techniques to generate blobs, and a newly developed algorithm to extract dilated contours. A constrained Delaunay tessellation of the contour points results in a triangular mesh. This mesh is the basic ingredient of the Chodal Axis Transform, which provides a morphological decomposition of shapes. Such decomposition allows for grain separation and the efficient computation of the statistical features of granular materials.

  10. Graphene with geometrically induced vorticity.

    PubMed

    Pachos, Jiannis K; Stone, Michael; Temme, Kristan

    2008-04-18

    At half filling, the electronic structure of graphene can be modeled by a pair of free two-dimensional Dirac fermions. We explicitly demonstrate that in the presence of a geometrically induced gauge field an everywhere-real Kekulé modulation of the hopping matrix elements can correspond to a nonreal Higgs field with nontrivial vorticity. This provides a natural setting for fractionally charged vortices with localized zero modes. For fullerenelike molecules we employ the index theorem to demonstrate the existence of six low-lying states that do not depend strongly on the Kekulé-induced mass gap.

  11. Evolution: geometrical and dynamical aspects.

    PubMed

    Freguglia, Paolo; Bazzani, Armando

    2003-01-01

    We develop a possible axiomatic approach to the evolution theory that has been previously discussed in Freguglia [2002]. The axioms synthesize the fundamental ideas of evolution theory and allow a geometrical and dynamical interpretation of the generation law. Using the axioms we derive a simple reaction-diffusion model which introduces the species as self-organized stationary distribution of a finite population and simulates the evolution of a phenotypic character under the effect of an external perturbing action. The dynamical properties of the model are briefly presented using numerical simulations.

  12. Science, art and geometrical imagination

    NASA Astrophysics Data System (ADS)

    Luminet, Jean-Pierre

    2011-06-01

    From the geocentric, closed world model of Antiquity to the wraparound universe models of relativistic cosmology, the parallel history of space representations in science and art illustrates the fundamental rôle of geometric imagination in innovative findings. Through the analysis of works of various artists and scientists like Plato, Dürer, Kepler, Escher, Grisey or the author, it is shown how the process of creation in science and in the arts rests on aesthetical principles such as symmetry, regular polyhedra, laws of harmonic proportion, tessellations, group theory, etc., as well as on beauty, conciseness and an emotional approach of the world.

  13. SQCD Vacua and Geometrical Engineering

    SciTech Connect

    Tatar, Radu; Wetenhall, Ben

    2008-11-23

    We consider the geometrical engineering constructions for the N = 1 SQCD vacua. After one T-duality, these geometries with wrapped D5 branes become N = 1 brane configurations with NS-branes and D4-branes. After performing a flop, the geometries contain branes, antibranes and branes wrapped on non-holomorphic cycles. The various tachyon condensations between pairs of wrapped D5 branes and anti-D5 branes together with deformations of the cycles give rise to a variety of supersymmetric and metastable non-supersymmetric vacua.

  14. NPP VIIRS Geometric Performance Status

    NASA Technical Reports Server (NTRS)

    Lin, Guoqing; Wolfe, Robert E.; Nishihama, Masahiro

    2011-01-01

    Visible Infrared Imager Radiometer Suite (VIIRS) instrument on-board the National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP) satellite is scheduled for launch in October, 2011. It is to provide satellite measured radiance/reflectance data for both weather and climate applications. Along with radiometric calibration, geometric characterization and calibration of Sensor Data Records (SDRs) are crucial to the VIIRS Environmental Data Record (EDR) algorithms and products which are used in numerical weather prediction (NWP). The instrument geometric performance includes: 1) sensor (detector) spatial response, parameterized by the dynamic field of view (DFOV) in the scan direction and instantaneous FOV (IFOV) in the track direction, modulation transfer function (MTF) for the 17 moderate resolution bands (M-bands), and horizontal spatial resolution (HSR) for the five imagery bands (I-bands); 2) matrices of band-to-band co-registration (BBR) from the corresponding detectors in all band pairs; and 3) pointing knowledge and stability characteristics that includes scan plane tilt, scan rate and scan start position variations, and thermally induced variations in pointing with respect to orbital position. They have been calibrated and characterized through ground testing under ambient and thermal vacuum conditions, numerical modeling and analysis. This paper summarizes the results, which are in general compliance with specifications, along with anomaly investigations, and describes paths forward for characterizing on-orbit BBR and spatial response, and for improving instrument on-orbit performance in pointing and geolocation.

  15. Geometric effects in tomographic reconstruction

    SciTech Connect

    Barnes, F.L.; Azevedo, S.G.; Martz, H.E. Jr.; Roberson, G.P.; Schneberk, D.J.; Skeate, M.F.

    1990-01-08

    In x-ray and ion-beam computerized tomography, there are a number of reconstruction effects, manifested as artifacts, that can be attributed to the geometry of the experimental setup and of the object being scanned. In this work, we will examine four geometric effects that are common to first-and third-generation (parallel beam, 180 degree) computerized tomography (CT) scanners and suggest solutions for each problem. The geometric effects focused on in this paper are: X-pattern'' artifacts (believed to be caused by several errors), edge-generated ringing artifacts (due to improper choice of the reconstruction filter and cutoff frequency), circular-ring artifacts (caused by employing uncalibrated detectors), and tuning-fork artifacts (generated by an incorrectly specified center-of-rotation). Examples of four effects are presented. The X-pattern and edge-generated ringing artifacts are presented with actual experimental data introducing the artifact. given the source of the artifact, we present simulated data designed to replicate the artifact. Finally, we suggest ways to reduce or completely remove these artifacts. The circular-ring and tuning-fork artifacts are introduced with actual experimental data as well, while digital signal processing solutions are employed to remove the artifacts from the data. 15 refs., 12 figs.

  16. Image coding with geometric wavelets.

    PubMed

    Alani, Dror; Averbuch, Amir; Dekel, Shai

    2007-01-01

    This paper describes a new and efficient method for low bit-rate image coding which is based on recent development in the theory of multivariate nonlinear piecewise polynomial approximation. It combines a binary space partition scheme with geometric wavelet (GW) tree approximation so as to efficiently capture curve singularities and provide a sparse representation of the image. The GW method successfully competes with state-of-the-art wavelet methods such as the EZW, SPIHT, and EBCOT algorithms. We report a gain of about 0.4 dB over the SPIHT and EBCOT algorithms at the bit-rate 0.0625 bits-per-pixels (bpp). It also outperforms other recent methods that are based on "sparse geometric representation." For example, we report a gain of 0.27 dB over the Bandelets algorithm at 0.1 bpp. Although the algorithm is computationally intensive, its time complexity can be significantely reduced by collecting a "global" GW n-term approximation to the image from a collection of GW trees, each constructed separately over tiles of the image.

  17. Excitations in the quantum paramagnetic phase of the quasi-one-dimensional Ising magnet CoNb2O6 in a transverse field: Geometric frustration and quantum renormalization effects

    NASA Astrophysics Data System (ADS)

    Cabrera, Ivelisse; Thompson, J. D.; Coldea, R.; Prabhakaran, D.; Bewley, R. I.; Guidi, T.; Rodriguez-Rivera, J. A.; Stock, C.

    We report extensive single-crystal inelastic neutron scattering measurements of the magnetic excitations in the quasi 1D Ising ferromagnet CoNb2O6 in the quantum paramagnetic phase to characterize the effects of the finite interchain couplings. In this phase, we observe that excitations have a sharp, resolution-limited line shape at low energies and over most of the dispersion bandwidth, as expected for spin-flip quasiparticles. We map the full bandwidth along the strongly dispersive chain direction and resolve clear modulations of the dispersions in the plane normal to the chains, characteristic of frustrated interchain couplings in an antiferromagnetic isosceles triangular lattice. The dispersions can be well parametrized using a linear spin-wave model that includes interchain couplings and further neighbor exchanges. The observed dispersion bandwidth along the chain direction is smaller than that predicted by a linear spin-wave model using exchange values determined at zero field. We attribute this effect to quantum renormalization of the dispersion beyond the spin-wave approximation in fields slightly above the critical field, where quantum fluctuations are still significant. We acknowledge support from EPSRC Grant No. EP/H014934/1, the Oxford Clarendon Fund Scholarship and NSERC of Canada.

  18. Phase-to-intensity conversion of magnonic spin currents and application to the design of a majority gate

    PubMed Central

    Brächer, T.; Heussner, F.; Pirro, P.; Meyer, T.; Fischer, T.; Geilen, M.; Heinz, B.; Lägel, B.; Serga, A. A.; Hillebrands, B.

    2016-01-01

    Magnonic spin currents in the form of spin waves and their quanta, magnons, are a promising candidate for a new generation of wave-based logic devices beyond CMOS, where information is encoded in the phase of travelling spin-wave packets. The direct readout of this phase on a chip is of vital importance to couple magnonic circuits to conventional CMOS electronics. Here, we present the conversion of the spin-wave phase into a spin-wave intensity by local non-adiabatic parallel pumping in a microstructure. This conversion takes place within the spin-wave system itself and the resulting spin-wave intensity can be conveniently transformed into a DC voltage. We also demonstrate how the phase-to-intensity conversion can be used to extract the majority information from an all-magnonic majority gate. This conversion method promises a convenient readout of the magnon phase in future magnon-based devices. PMID:27905539

  19. Phase-to-intensity conversion of magnonic spin currents and application to the design of a majority gate

    NASA Astrophysics Data System (ADS)

    Brächer, T.; Heussner, F.; Pirro, P.; Meyer, T.; Fischer, T.; Geilen, M.; Heinz, B.; Lägel, B.; Serga, A. A.; Hillebrands, B.

    2016-12-01

    Magnonic spin currents in the form of spin waves and their quanta, magnons, are a promising candidate for a new generation of wave-based logic devices beyond CMOS, where information is encoded in the phase of travelling spin-wave packets. The direct readout of this phase on a chip is of vital importance to couple magnonic circuits to conventional CMOS electronics. Here, we present the conversion of the spin-wave phase into a spin-wave intensity by local non-adiabatic parallel pumping in a microstructure. This conversion takes place within the spin-wave system itself and the resulting spin-wave intensity can be conveniently transformed into a DC voltage. We also demonstrate how the phase-to-intensity conversion can be used to extract the majority information from an all-magnonic majority gate. This conversion method promises a convenient readout of the magnon phase in future magnon-based devices.

  20. Geometric asymmetry driven Janus micromotors.

    PubMed

    Zhao, Guanjia; Pumera, Martin

    2014-10-07

    The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a "coconut" micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors.

  1. Wrinkled flames and geometrical stretch

    NASA Astrophysics Data System (ADS)

    Denet, Bruno; Joulin, Guy

    2011-07-01

    Localized wrinkles of thin premixed flames subject to hydrodynamic instability and geometrical stretch of uniform intensity (S) are studied. A stretch-affected nonlinear and nonlocal equation, derived from an inhomogeneous Michelson-Sivashinsky equation, is used as a starting point, and pole decompositions are used as a tool. Analytical and numerical descriptions of isolated (centered or multicrested) wrinkles with steady shapes (in a frame) and various amplitudes are provided; their number increases rapidly with 1/S>0. A large constant S>0 weakens or suppresses all localized wrinkles (the larger the wrinkles, the easier the suppression), whereas S<0 strengthens them; oscillations of S further restrict their existence domain. Self-similar evolutions of unstable many-crested patterns are obtained. A link between stretch, nonlinearity, and instability with the cutoff size of the wrinkles in turbulent flames is suggested. Open problems are evoked.

  2. Geometric solitons of Hamiltonian flows on manifolds

    SciTech Connect

    Song, Chong; Sun, Xiaowei; Wang, Youde

    2013-12-15

    It is well-known that the LIE (Locally Induction Equation) admit soliton-type solutions and same soliton solutions arise from different and apparently irrelevant physical models. By comparing the solitons of LIE and Killing magnetic geodesics, we observe that these solitons are essentially decided by two families of isometries of the domain and the target space, respectively. With this insight, we propose the new concept of geometric solitons of Hamiltonian flows on manifolds, such as geometric Schrödinger flows and KdV flows for maps. Moreover, we give several examples of geometric solitons of the Schrödinger flow and geometric KdV flow, including magnetic curves as geometric Schrödinger solitons and explicit geometric KdV solitons on surfaces of revolution.

  3. Frustrated topological symmetry breaking: Geometrical frustration and anyon condensation

    NASA Astrophysics Data System (ADS)

    Schulz, Marc D.; Burnell, Fiona J.

    2016-10-01

    We study the phase diagram of a topological string-net-type lattice model in the presence of geometrically frustrated interactions. These interactions drive several phase transitions that reduce the topological order, leading to a rich phase diagram including both Abelian (Z2) and non-Abelian (Ising×Ising¯ ) topologically ordered phases, as well as phases with broken translational symmetry. Interestingly, one of these phases simultaneously exhibits (Abelian) topological order and long-ranged order due to translational symmetry breaking, with nontrivial interactions between excitations in the topological order and defects in the long-ranged order. We introduce a variety of effective models, valid along certain lines in the phase diagram, which can be used to characterize both topological and symmetry-breaking order in these phases and in many cases allow us to characterize the phase transitions that separate them. We use exact diagonalization and high-order series expansion to study areas of the phase diagram where these models break down and to approximate the location of the phase boundaries.

  4. Geometric Mechanics Reveals Optimal Complex Terrestrial Undulation Patterns

    NASA Astrophysics Data System (ADS)

    Gong, Chaohui; Astley, Henry; Schiebel, Perrin; Dai, Jin; Travers, Matthew; Goldman, Daniel; Choset, Howie; CMU Team; GT Team

    Geometric mechanics offers useful tools for intuitively analyzing biological and robotic locomotion. However, utility of these tools were previously restricted to systems that have only two internal degrees of freedom and in uniform media. We show kinematics of complex locomotors that make intermittent contacts with substrates can be approximated as a linear combination of two shape bases, and can be represented using two variables. Therefore, the tools of geometric mechanics can be used to analyze motions of locomotors with many degrees of freedom. To demonstrate the proposed technique, we present studies on two different types of snake gaits which utilize combinations of waves in the horizontal and vertical planes: sidewinding (in the sidewinder rattlesnake C. cerastes) and lateral undulation (in the desert specialist snake C. occipitalis). C. cerastes moves by generating posteriorly traveling body waves in the horizontal and vertical directions, with a relative phase offset equal to +/-π/2 while C. occipitalismaintains a π/2 offset of a frequency doubled vertical wave. Geometric analysis reveals these coordination patterns enable optimal movement in the two different styles of undulatory terrestrial locomotion. More broadly, these examples demonstrate the utility of geometric mechanics in analyzing realistic biological and robotic locomotion.

  5. Geometric asymmetry driven Janus micromotors

    NASA Astrophysics Data System (ADS)

    Zhao, Guanjia; Pumera, Martin

    2014-09-01

    The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a ``coconut'' micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors.The production and application of nano-/micromotors is of great importance. In order for the motors to work, asymmetry in their chemical composition or physical geometry must be present if no external asymmetric field is applied. In this paper, we present a ``coconut'' micromotor made of platinum through the partial or complete etching of the silica templates. It was shown that although both the inner and outer surfaces are made of the same material (Pt), motion of the structure can be observed as the convex surface is capable of generating oxygen bubbles. This finding shows that not only the chemical asymmetry of the micromotor, but also its geometric asymmetry can lead to fast propulsion of the motor. Moreover, a considerably higher velocity can be seen for partially etched coconut structures than the velocities of Janus or fully etched, shell-like motors. These findings will have great importance on the design of future micromotors. Electronic supplementary information (ESI) available: Additional SEM images, data analysis, Videos S

  6. Generalized Bergman kernels and geometric quantization

    NASA Astrophysics Data System (ADS)

    Tuynman, G. M.

    1987-03-01

    In geometric quantization it is well known that, if f is an observable and F a polarization on a symplectic manifold (M,ω), then the condition ``Xf leaves F invariant'' (where Xf denotes the Hamiltonian vector field associated to f ) is sufficient to guarantee that one does not have to compute the BKS kernel explicitly in order to know the corresponding quantum operator. It is shown in this paper that this condition on f can be weakened to ``Xf leaves F+F° invariant''and the corresponding quantum operator is then given implicitly by formula (4.8); in particular when F is a (positive) Kähler polarization, all observables can be quantized ``directly'' and moreover, an ``explicit'' formula for the corresponding quantum operator is derived (Theorem 5.8). Applying this to the phase space R2n one obtains a quantization prescription which ressembles the normal ordering of operators in quantum field theory. When we translate this prescription to the usual position representation of quantum mechanics, the result is (a.o) that the operator associated to a classical potential is multiplication by a function which is essentially the convolution of the potential function with a Gaussian function of width ℏ, instead of multiplication by the potential itself.

  7. Geometric Reasoning for Automated Planning

    NASA Technical Reports Server (NTRS)

    Clement, Bradley J.; Knight, Russell L.; Broderick, Daniel

    2012-01-01

    An important aspect of mission planning for NASA s operation of the International Space Station is the allocation and management of space for supplies and equipment. The Stowage, Configuration Analysis, and Operations Planning teams collaborate to perform the bulk of that planning. A Geometric Reasoning Engine is developed in a way that can be shared by the teams to optimize item placement in the context of crew planning. The ISS crew spends (at the time of this writing) a third or more of their time moving supplies and equipment around. Better logistical support and optimized packing could make a significant impact on operational efficiency of the ISS. Currently, computational geometry and motion planning do not focus specifically on the optimized orientation and placement of 3D objects based on multiple distance and containment preferences and constraints. The software performs reasoning about the manipulation of 3D solid models in order to maximize an objective function based on distance. It optimizes for 3D orientation and placement. Spatial placement optimization is a general problem and can be applied to object packing or asset relocation.

  8. Geometrical aspects of quantum spaces

    SciTech Connect

    Ho, Pei -Ming

    1996-05-11

    Various geometrical aspects of quantum spaces are presented showing the possibility of building physics on quantum spaces. In the first chapter the authors give the motivations for studying noncommutative geometry and also review the definition of a Hopf algebra and some general features of the differential geometry on quantum groups and quantum planes. In Chapter 2 and Chapter 3 the noncommutative version of differential calculus, integration and complex structure are established for the quantum sphere S12 and the quantum complex projective space CP{sub q}(N), on which there are quantum group symmetries that are represented nonlinearly, and are respected by all the aforementioned structures. The braiding of Sq2 and CPq(N) is also described. In Chapter 4 the quantum projective geometry over the quantum projective space CPq(N) is developed. Collinearity conditions, coplanarity conditions, intersections and anharmonic ratios is described. In Chapter 5 an algebraic formulation of Reimannian geometry on quantum spaces is presented where Riemannian metric, distance, Laplacian, connection, and curvature have their quantum counterparts. This attempt is also extended to complex manifolds. Examples include the quantum sphere, the complex quantum projective space and the two-sheeted space. The quantum group of general coordinate transformations on some quantum spaces is also given.

  9. Generalized Geometric Quantum Speed Limits

    NASA Astrophysics Data System (ADS)

    Pires, Diego Paiva; Cianciaruso, Marco; Céleri, Lucas C.; Adesso, Gerardo; Soares-Pinto, Diogo O.

    2016-04-01

    The attempt to gain a theoretical understanding of the concept of time in quantum mechanics has triggered significant progress towards the search for faster and more efficient quantum technologies. One of such advances consists in the interpretation of the time-energy uncertainty relations as lower bounds for the minimal evolution time between two distinguishable states of a quantum system, also known as quantum speed limits. We investigate how the nonuniqueness of a bona fide measure of distinguishability defined on the quantum-state space affects the quantum speed limits and can be exploited in order to derive improved bounds. Specifically, we establish an infinite family of quantum speed limits valid for unitary and nonunitary evolutions, based on an elegant information geometric formalism. Our work unifies and generalizes existing results on quantum speed limits and provides instances of novel bounds that are tighter than any established one based on the conventional quantum Fisher information. We illustrate our findings with relevant examples, demonstrating the importance of choosing different information metrics for open system dynamics, as well as clarifying the roles of classical populations versus quantum coherences, in the determination and saturation of the speed limits. Our results can find applications in the optimization and control of quantum technologies such as quantum computation and metrology, and might provide new insights in fundamental investigations of quantum thermodynamics.

  10. Geometric reasoning about assembly tools

    SciTech Connect

    Wilson, R.H.

    1997-01-01

    Planning for assembly requires reasoning about various tools used by humans, robots, or other automation to manipulate, attach, and test parts and subassemblies. This paper presents a general framework to represent and reason about geometric accessibility issues for a wide variety of such assembly tools. Central to the framework is a use volume encoding a minimum space that must be free in an assembly state to apply a given tool, and placement constraints on where that volume must be placed relative to the parts on which the tool acts. Determining whether a tool can be applied in a given assembly state is then reduced to an instance of the FINDPLACE problem. In addition, the author presents more efficient methods to integrate the framework into assembly planning. For tools that are applied either before or after their target parts are mated, one method pre-processes a single tool application for all possible states of assembly of a product in polynomial time, reducing all later state-tool queries to evaluations of a simple expression. For tools applied after their target parts are mated, a complementary method guarantees polynomial-time assembly planning. The author presents a wide variety of tools that can be described adequately using the approach, and surveys tool catalogs to determine coverage of standard tools. Finally, the author describes an implementation of the approach in an assembly planning system and experiments with a library of over one hundred manual and robotic tools and several complex assemblies.

  11. The geometric semantics of algebraic quantum mechanics.

    PubMed

    Cruz Morales, John Alexander; Zilber, Boris

    2015-08-06

    In this paper, we will present an ongoing project that aims to use model theory as a suitable mathematical setting for studying the formalism of quantum mechanics. We argue that this approach provides a geometric semantics for such a formalism by means of establishing a (non-commutative) duality between certain algebraic and geometric objects.

  12. Geometric Growing Patterns: What's the Rule?

    ERIC Educational Resources Information Center

    Hourigan, Mairéad; Leavy, Aisling

    2015-01-01

    While within a geometric repeating pattern, there is an identifiable core which is made up of objects that repeat in a predictable manner, a geometric growing pattern (also called visual or pictorial growing patterns in other curricula) "is a pattern that is made from a sequence of figures [or objects] that change from one term to the next in…

  13. Early Sex Differences in Weighting Geometric Cues

    ERIC Educational Resources Information Center

    Lourenco, Stella F.; Addy, Dede; Huttenlocher, Janellen; Fabian, Lydia

    2011-01-01

    When geometric and non-geometric information are both available for specifying location, men have been shown to rely more heavily on geometry compared to women. To shed insight on the nature and developmental origins of this sex difference, we examined how 18- to 24-month-olds represented the geometry of a surrounding (rectangular) space when…

  14. Geometrical splitting and reduction of Feynman diagrams

    NASA Astrophysics Data System (ADS)

    Davydychev, Andrei I.

    2016-10-01

    A geometrical approach to the calculation of N-point Feynman diagrams is reviewed. It is shown that the geometrical splitting yields useful connections between Feynman integrals with different momenta and masses. It is demonstrated how these results can be used to reduce the number of variables in the occurring functions.

  15. A geometric approach to quantum control in projective hilbert spaces

    NASA Astrophysics Data System (ADS)

    Pastorello, Davide

    2017-02-01

    A quantum theory in a finite-dimensional Hilbert space can be formulated as a proper geometric Hamiltonian theory as explained in [2, 3, 7, 9]. From this point of view a quantum system can be described within a classical-like framework where quantum dynamics is represented by a Hamiltonian flow in the phase space given by a projective Hilbert space. This paper is devoted to investigating how the notion of an accessibility algebra from classical control theory can be applied within the geometric Hamiltonian formulation of quantum mechanics to study controllability of a quantum system. A new characterization of quantum controllability in terms of Killing vector fields w.r.t. the Fubini-Study metric on projective space is also discussed.

  16. Mobility in geometrically confined membranes.

    PubMed

    Domanov, Yegor A; Aimon, Sophie; Toombes, Gilman E S; Renner, Marianne; Quemeneur, François; Triller, Antoine; Turner, Matthew S; Bassereau, Patricia

    2011-08-02

    Lipid and protein lateral mobility is essential for biological function. Our theoretical understanding of this mobility can be traced to the seminal work of Saffman and Delbrück, who predicted a logarithmic dependence of the protein diffusion coefficient (i) on the inverse of the size of the protein and (ii) on the "membrane size" for membranes of finite size [Saffman P, Delbrück M (1975) Proc Natl Acad Sci USA 72:3111-3113]. Although the experimental proof of the first prediction is a matter of debate, the second has not previously been thought to be experimentally accessible. Here, we construct just such a geometrically confined membrane by forming lipid bilayer nanotubes of controlled radii connected to giant liposomes. We followed the diffusion of individual molecules in the tubular membrane using single particle tracking of quantum dots coupled to lipids or voltage-gated potassium channels KvAP, while changing the membrane tube radius from approximately 250 to 10 nm. We found that both lipid and protein diffusion was slower in tubular membranes with smaller radii. The protein diffusion coefficient decreased as much as 5-fold compared to diffusion on the effectively flat membrane of the giant liposomes. Both lipid and protein diffusion data are consistent with the predictions of a hydrodynamic theory that extends the work of Saffman and Delbrück to cylindrical geometries. This study therefore provides strong experimental support for the ubiquitous Saffman-Delbrück theory and elucidates the role of membrane geometry and size in regulating lateral diffusion.

  17. Mobility in geometrically confined membranes

    PubMed Central

    Domanov, Yegor A.; Aimon, Sophie; Toombes, Gilman E. S.; Renner, Marianne; Quemeneur, François; Triller, Antoine; Turner, Matthew S.; Bassereau, Patricia

    2011-01-01

    Lipid and protein lateral mobility is essential for biological function. Our theoretical understanding of this mobility can be traced to the seminal work of Saffman and Delbrück, who predicted a logarithmic dependence of the protein diffusion coefficient (i) on the inverse of the size of the protein and (ii) on the “membrane size” for membranes of finite size [Saffman P, Delbrück M (1975) Proc Natl Acad Sci USA 72:3111—3113]. Although the experimental proof of the first prediction is a matter of debate, the second has not previously been thought to be experimentally accessible. Here, we construct just such a geometrically confined membrane by forming lipid bilayer nanotubes of controlled radii connected to giant liposomes. We followed the diffusion of individual molecules in the tubular membrane using single particle tracking of quantum dots coupled to lipids or voltage-gated potassium channels KvAP, while changing the membrane tube radius from approximately 250 to 10 nm. We found that both lipid and protein diffusion was slower in tubular membranes with smaller radii. The protein diffusion coefficient decreased as much as 5-fold compared to diffusion on the effectively flat membrane of the giant liposomes. Both lipid and protein diffusion data are consistent with the predictions of a hydrodynamic theory that extends the work of Saffman and Delbrück to cylindrical geometries. This study therefore provides strong experimental support for the ubiquitous Saffman–Delbrück theory and elucidates the role of membrane geometry and size in regulating lateral diffusion. PMID:21768336

  18. Weak randomness in geometrically frustrated systems: spin-glasses

    NASA Astrophysics Data System (ADS)

    Schmidt, M.; Zimmer, F. M.; Magalhaes, S. G.

    2015-02-01

    We study the competition between the spin-glass (SG) phase and antiferromagnetic (AF), superantiferromagnetic or ferromagnetic (FE) order in geometrically frustrated systems. We consider a model with two types of frustration: one coming from disordered interactions (J) and another coming from the square-lattice Ising spin system with first-(J1) and second-(J2) neighbor interactions (intrinsic frustration). The disordered interactions are between clusters and they follow the van Hemmen model, which represents a limit of weak frustration. The cluster mean-field approximation is used to treat the short-range intercluster interactions. Results are exhibited in phase diagrams of the temperature T versus J for several values of {{J}2}/{{J}1}. When the intrinsic frustration increases, the Néel and Curie temperatures decrease at the same time so that the SG phase appears at a lower J. Moreover, the FE correlations enhance the SG behavior, while AF correlations reduce the SG region at the same level of intrinsic frustration. These results indicate that a weak disorder in geometrically frustrated systems is able to stabilize the SG phase.

  19. On geometric factors for neutral particle analyzers.

    PubMed

    Stagner, L; Heidbrink, W W

    2014-11-01

    Neutral particle analyzers (NPA) detect neutralized energetic particles that escape from plasmas. Geometric factors relate the counting rate of the detectors to the intensity of the particle source. Accurate geometric factors enable quick simulation of geometric effects without the need to resort to slower Monte Carlo methods. Previously derived expressions [G. R. Thomas and D. M. Willis, "Analytical derivation of the geometric factor of a particle detector having circular or rectangular geometry," J. Phys. E: Sci. Instrum. 5(3), 260 (1972); J. D. Sullivan, "Geometric factor and directional response of single and multi-element particle telescopes," Nucl. Instrum. Methods 95(1), 5-11 (1971)] for the geometric factor implicitly assume that the particle source is very far away from the detector (far-field); this excludes applications close to the detector (near-field). The far-field assumption does not hold in most fusion applications of NPA detectors. We derive, from probability theory, a generalized framework for deriving geometric factors that are valid for both near and far-field applications as well as for non-isotropic sources and nonlinear particle trajectories.

  20. On geometric factors for neutral particle analyzers

    SciTech Connect

    Stagner, L.; Heidbrink, W. W.

    2014-11-15

    Neutral particle analyzers (NPA) detect neutralized energetic particles that escape from plasmas. Geometric factors relate the counting rate of the detectors to the intensity of the particle source. Accurate geometric factors enable quick simulation of geometric effects without the need to resort to slower Monte Carlo methods. Previously derived expressions [G. R. Thomas and D. M. Willis, “Analytical derivation of the geometric factor of a particle detector having circular or rectangular geometry,” J. Phys. E: Sci. Instrum. 5(3), 260 (1972); J. D. Sullivan, “Geometric factor and directional response of single and multi-element particle telescopes,” Nucl. Instrum. Methods 95(1), 5–11 (1971)] for the geometric factor implicitly assume that the particle source is very far away from the detector (far-field); this excludes applications close to the detector (near-field). The far-field assumption does not hold in most fusion applications of NPA detectors. We derive, from probability theory, a generalized framework for deriving geometric factors that are valid for both near and far-field applications as well as for non-isotropic sources and nonlinear particle trajectories.

  1. Geometric Clustering and its Applications

    DTIC Science & Technology

    2013-10-31

    limited theoretical treatment exists. As a by- product , we present the first R-tree based algorithm for Rfn. Our algorithms do not assume that either P...student, James McClain. On a related subject, we made progress on accurate localization of RFID tags in three dimensions [7]. 4 Clustering on Road...Hekimian-Williams, B. Grant, Xiuwen Liu, Zhenghao Zhang, and P. Kumar. Accurate localization of rfid tags using phase difference. In RFID , 2010 IEEE

  2. Piezoelectricity in planar boron nitride via a geometric phase

    NASA Astrophysics Data System (ADS)

    Droth, Matthias; Burkard, Guido; Pereira, Vitor M.

    2016-08-01

    Due to their low surface mass density, two-dimensional materials with a strong piezoelectric response are interesting for nanoelectromechanical systems with high force sensitivity. Unlike graphene, the two sublattices in a monolayer of hexagonal boron nitride (hBN) are occupied by different elements, which breaks inversion symmetry and allows for piezoelectricity. This has been confirmed with density functional theory calculations of the piezoelectric constant of hBN. Here, we formulate an entirely analytical derivation of the electronic contribution to the piezoelectric response in this system based on the concepts of strain-induced pseudomagnetic vector potential and the modern theory of polarization that relates the polar moment to the Berry curvature. Our findings agree with the symmetry restrictions expected for the hBN lattice and reproduce well the magnitude of the piezoelectric effect previously obtained ab initio.

  3. The promise of geometric morphometrics.

    PubMed

    Richtsmeier, Joan T; DeLeon, Valerie Burke; Lele, Subhash R

    2002-01-01

    Nontraditional or geometric morphometric methods have found wide application in the biological sciences, especially in anthropology, a field with a strong history of measurement of biological form. Controversy has arisen over which method is the "best" for quantifying the morphological difference between forms and for making proper statistical statements about the detected differences. This paper explains that many of these arguments are superfluous to the real issues that need to be understood by those wishing to apply morphometric methods to biological data. Validity, the ability of a method to find the correct answer, is rarely discussed and often ignored. We explain why demonstration of validity is a necessary step in the evaluation of methods used in morphometrics. Focusing specifically on landmark data, we discuss the concepts of size and shape, and reiterate that since no unique definition of size exists, shape can only be recognized with reference to a chosen surrogate for size. We explain why only a limited class of information related to the morphology of an object can be known when landmark data are used. This observation has genuine consequences, as certain morphometric methods are based on models that require specific assumptions, some of which exceed what can be known from landmark data. We show that orientation of an object with reference to other objects in a sample can never be known, because this information is not included in landmark data. Consequently, a descriptor of form difference that contains information on orientation is flawed because that information does not arise from evidence within the data, but instead is a product of a chosen orientation scheme. To illustrate these points, we apply superimposition, deformation, and linear distance-based morphometric methods to the analysis of a simulated data set for which the true differences are known. This analysis demonstrates the relative efficacy of various methods to reveal the true

  4. Nonadditive Mixed State Phases in Neutron Optics

    SciTech Connect

    Klepp, J.; Sponar, S.; Filipp, S.; Lettner, M.; Badurek, G.; Hasegawa, Y.

    2009-03-10

    In a neutron polarimetry experiment mixed neutron spin phases are determined. We consider evolutions leading to purely geometric, purely dynamical and combined phases. It is experimentally demonstrated that the sum of the geometric and dynamical phases--both obtained in separate measurements--is not equal to the associated total phase as obtained from a third measurement, unless the system is in a pure state. In this sense, mixed state phases are not additive.

  5. Geometric perturbation theory and plasma physics

    SciTech Connect

    Omohundro, S.M.

    1985-04-04

    Modern differential geometric techniques are used to unify the physical asymptotics underlying mechanics, wave theory and statistical mechanics. The approach gives new insights into the structure of physical theories and is suited to the needs of modern large-scale computer simulation and symbol manipulation systems. A coordinate-free formulation of non-singular perturbation theory is given, from which a new Hamiltonian perturbation structure is derived and related to the unperturbed structure. The theory of perturbations in the presence of symmetry is developed, and the method of averaging is related to reduction by a circle group action. The pseudo-forces and magnetic Poisson bracket terms due to reduction are given a natural asymptotic interpretation. Similar terms due to changing reference frames are related to the method of variation of parameters, which is also given a Hamiltonian formulation. These methods are used to answer a question about nearly periodic systems. The answer leads to a new secular perturbation theory that contains no ad hoc elements. Eikonal wave theory is given a Hamiltonian formulation that generalizes Whitham's Lagrangian approach. The evolution of wave action density on ray phase space is given a Hamiltonian structure using a Lie-Poisson bracket. The relationship between dissipative and Hamiltonian systems is discussed. A new type of attractor is defined which attracts both forward and backward in time and is shown to occur in infinite-dimensional Hamiltonian systems with dissipative behavior. The theory of Smale horseshoes is applied to gyromotion in the neighborhood of a magnetic field reversal and the phenomenon of reinsertion in area-preserving horseshoes is introduced. The central limit theorem is proved by renormalization group techniques. A natural symplectic structure for thermodynamics is shown to arise asymptotically from the maximum entropy formalism.

  6. Geometric view of adaptive optics control

    NASA Astrophysics Data System (ADS)

    Wiberg, Donald M.; Max, Claire E.; Gavel, Donald T.

    2005-05-01

    The objective of an astronomical adaptive optics control system is to minimize the residual wave-front error remaining on the science-object wave fronts after being compensated for atmospheric turbulence and telescope aberrations. Minimizing the mean square wave-front residual maximizes the Strehl ratio and the encircled energy in pointlike images and maximizes the contrast and resolution of extended images. We prove the separation principle of optimal control for application to adaptive optics so as to minimize the mean square wave-front residual. This shows that the residual wave-front error attributable to the control system can be decomposed into three independent terms that can be treated separately in design. The first term depends on the geometry of the wave-front sensor(s), the second term depends on the geometry of the deformable mirror(s), and the third term is a stochastic term that depends on the signal-to-noise ratio. The geometric view comes from understanding that the underlying quantity of interest, the wave-front phase surface, is really an infinite-dimensional vector within a Hilbert space and that this vector space is projected into subspaces we can control and measure by the deformable mirrors and wave-front sensors, respectively. When the control and estimation algorithms are optimal, the residual wave front is in a subspace that is the union of subspaces orthogonal to both of these projections. The method is general in that it applies both to conventional (on-axis, ground-layer conjugate) adaptive optics architectures and to more complicated multi-guide-star- and multiconjugate-layer architectures envisaged for future giant telescopes. We illustrate the approach by using a simple example that has been worked out previously [J. Opt. Soc. Am. A73, 1171 (1983)] for a single-conjugate, static atmosphere case and follow up with a discussion of how it is extendable to general adaptive optics architectures.

  7. Geometric symmetries in superfluid vortex dynamics

    SciTech Connect

    Kozik, Evgeny; Svistunov, Boris

    2010-10-01

    Dynamics of quantized vortex lines in a superfluid feature symmetries associated with the geometric character of the complex-valued field, w(z)=x(z)+iy(z), describing the instant shape of the line. Along with a natural set of Noether's constants of motion, which - apart from their rather specific expressions in terms of w(z) - are nothing but components of the total linear and angular momenta of the fluid, the geometric symmetry brings about crucial consequences for kinetics of distortion waves on the vortex lines, the Kelvin waves. It is the geometric symmetry that renders Kelvin-wave cascade local in the wave-number space. Similar considerations apply to other systems with purely geometric degrees of freedom.

  8. Heat transfer in geometrically similar cylinders

    NASA Technical Reports Server (NTRS)

    Riekert, P; Held, A

    1941-01-01

    The power and heat-stress conditions of geometrically similar engines are discussed. The advantages accruing from smaller cylinder dimensions are higher specific horsepower, lower weight per horsepower, lower piston temperature, and less frontal area, with reduced detonation tendency.

  9. Hidden geometric correlations in real multiplex networks

    NASA Astrophysics Data System (ADS)

    Kleineberg, Kaj-Kolja; Boguñá, Marián; Ángeles Serrano, M.; Papadopoulos, Fragkiskos

    2016-11-01

    Real networks often form interacting parts of larger and more complex systems. Examples can be found in different domains, ranging from the Internet to structural and functional brain networks. Here, we show that these multiplex systems are not random combinations of single network layers. Instead, they are organized in specific ways dictated by hidden geometric correlations between the layers. We find that these correlations are significant in different real multiplexes, and form a key framework for answering many important questions. Specifically, we show that these geometric correlations facilitate the definition and detection of multidimensional communities, which are sets of nodes that are simultaneously similar in multiple layers. They also enable accurate trans-layer link prediction, meaning that connections in one layer can be predicted by observing the hidden geometric space of another layer. And they allow efficient targeted navigation in the multilayer system using only local knowledge, outperforming navigation in the single layers only if the geometric correlations are sufficiently strong.

  10. The perception of geometrical structure from congruence

    NASA Technical Reports Server (NTRS)

    Lappin, Joseph S.; Wason, Thomas D.

    1989-01-01

    The principle function of vision is to measure the environment. As demonstrated by the coordination of motor actions with the positions and trajectories of moving objects in cluttered environments and by rapid recognition of solid objects in varying contexts from changing perspectives, vision provides real-time information about the geometrical structure and location of environmental objects and events. The geometric information provided by 2-D spatial displays is examined. It is proposed that the geometry of this information is best understood not within the traditional framework of perspective trigonometry, but in terms of the structure of qualitative relations defined by congruences among intrinsic geometric relations in images of surfaces. The basic concepts of this geometrical theory are outlined.

  11. Concepts and Figures in Geometric Reasoning.

    ERIC Educational Resources Information Center

    Fischbein, Efraim; Nachlieli, Talli

    1998-01-01

    Opens with the theoretical construct of figural concepts. Argues that geometrical figures are characterized by both conceptual and sensorial properties. Investigates the effects of interaction between conceptual and figural components. Contains 19 references. (DDR)

  12. Geometric quantum gates for an electron-spin qubit in a quantum dot

    NASA Astrophysics Data System (ADS)

    Malinovsky, Vladimir; Rudin, Sergey

    2012-06-01

    A scheme to perform arbitrary unitary operations on a single electron-spin qubit in a quantum dot is proposed. The design is based on the geometrical phase acquired after a cyclic evolution by the qubit state. The scheme is utilizing ultrafast linearly-chirped pulses providing adiabatic excitation of the qubit states and the geometric phase is fully controlled by the relative phase between pulses. The analytic expression of the evolution operator for the electron spin in a quantum dot, which provides a clear geometrical interpretation of the qubit dynamics, is obtained. Using parameters of InGAN/GaN, GaN/AlN quantum dots we provide an estimate for the time scale of the qubit rotations and parameters of the external fields. Robustness of the proposed scheme against external noise is also discussed.

  13. The Geometric Grids of the Hieratic Numeral.

    NASA Astrophysics Data System (ADS)

    Aboulfotouh, Hossam M. K.

    The paper discusses the geometrical designs of the hieratic numeral signs. It shows the regular-grid-patterns of squares upon which, the shapes of the already decoded hieratic numeral-signs, have been designed. Also, it shows the design of some hieratic numeral signs, based on subdividing the circle; and the hieratic signs of modular notation. It might reveal the basic geometrical level of understanding of anonymous ancient Egyptians who designed them some four thousand years ago.

  14. Effects of imbalance and geometric error on precision grinding machines

    SciTech Connect

    Bibler, J.E.

    1997-06-01

    To study balancing in grinding, a simple mechanical system was examined. It was essential to study such a well-defined system, as opposed to a large, complex system such as a machining center. The use of a compact, well-defined system enabled easy quantification of the imbalance force input, its phase angle to any geometric decentering, and good understanding of the machine mode shapes. It is important to understand a simple system such as the one I examined given that imbalance is so intimately coupled to machine dynamics. It is possible to extend the results presented here to industrial machines, although that is not part of this work. In addition to the empirical testing, a simple mechanical system to look at how mode shapes, balance, and geometric error interplay to yield spindle error motion was modelled. The results of this model will be presented along with the results from a more global grinding model. The global model, presented at ASPE in November 1996, allows one to examine the effects of changing global machine parameters like stiffness and damping. This geometrically abstract, one-dimensional model will be presented to demonstrate the usefulness of an abstract approach for first-order understanding but it will not be the main focus of this thesis. 19 refs., 36 figs., 10 tables.

  15. Performance Assessment and Geometric Calibration of RESOURCESAT-2

    NASA Astrophysics Data System (ADS)

    Radhadevi, P. V.; Solanki, S. S.; Akilan, A.; Jyothi, M. V.; Nagasubramanian, V.

    2016-06-01

    Resourcesat-2 (RS-2) has successfully completed five years of operations in its orbit. This satellite has multi-resolution and multi-spectral capabilities in a single platform. A continuous and autonomous co-registration, geo-location and radiometric calibration of image data from different sensors with widely varying view angles and resolution was one of the challenges of RS-2 data processing. On-orbit geometric performance of RS-2 sensors has been widely assessed and calibrated during the initial phase operations. Since then, as an ongoing activity, various geometric performance data are being generated periodically. This is performed with sites of dense ground control points (GCPs). These parameters are correlated to the direct geo-location accuracy of the RS-2 sensors and are monitored and validated to maintain the performance. This paper brings out the geometric accuracy assessment, calibration and validation done for about 500 datasets of RS-2. The objectives of this study are to ensure the best absolute and relative location accuracy of different cameras, location performance with payload steering and co-registration of multiple bands. This is done using a viewing geometry model, given ephemeris and attitude data, precise camera geometry and datum transformation. In the model, the forward and reverse transformations between the coordinate systems associated with the focal plane, payload, body, orbit and ground are rigorously and explicitly defined. System level tests using comparisons to ground check points have validated the operational geo-location accuracy performance and the stability of the calibration parameters.

  16. Geometrically Nonlinear Finite Element Analysis of a Composite Space Reflector

    NASA Technical Reports Server (NTRS)

    Lee, Kee-Joo; Leet, Sung W.; Clark, Greg; Broduer, Steve (Technical Monitor)

    2001-01-01

    Lightweight aerospace structures, such as low areal density composite space reflectors, are highly flexible and may undergo large deflection under applied loading, especially during the launch phase. Accordingly, geometrically nonlinear analysis that takes into account the effect of finite rotation may be needed to determine the deformed shape for a clearance check and the stress and strain state to ensure structural integrity. In this study, deformation of the space reflector is determined under static conditions using a geometrically nonlinear solid shell finite element model. For the solid shell element formulation, the kinematics of deformation is described by six variables that are purely vector components. Because rotational angles are not used, this approach is free of the limitations of small angle increments. This also allows easy connections between substructures and large load increments with respect to the conventional shell formulation using rotational parameters. Geometrically nonlinear analyses were carried out for three cases of static point loads applied at selected points. A chart shows results for a case when the load is applied at the center point of the reflector dish. The computed results capture the nonlinear behavior of the composite reflector as the applied load increases. Also, they are in good agreement with the data obtained by experiments.

  17. Geometric sensitivity of ClearPET™ Neuro

    NASA Astrophysics Data System (ADS)

    Gundlich, Brigitte; Weber, Simone

    2007-02-01

    ClearPET™ Neuro is a small-animal positron emission tomography (PET) scanner dedicated to brain studies on rats and primates. The design of ClearPET™ Neuro leads to a specific geometric sensitivity, characterized by inhomogeneous and, depending on the measurement setup, even incomplete data. With respect to reconstruction techniques, homogeneous and complete data sets are a 'must' for analytical reconstruction methods, whereas iterative methods take the geometrical sensitivity into account during the reconstruction process. Nevertheless, here a homogeneous geometric sensitivity over the field of view is highly desirable. Therefore, this contribution aims at studying the impact of different scanner geometries and measurement setups on the geometric sensitivity. A data set of coincident events is computed for certain settings that contains each possible crystal combination once. The lines of response are rebinned into normalizing sinograms and backprojected into sensitivity images. Both, normalizing sinograms and sensitivity images mirror the geometric sensitivity and therefore, provide information which setting enables most complete and homogeneous data sets. An optimal measurement setup and scanner geometry in terms of homogeneous geometric sensitivity is found by analyzing the sensitivity images.

  18. Probabilistically Perfect Cloning of Two Pure States: Geometric Approach

    NASA Astrophysics Data System (ADS)

    Yerokhin, V.; Shehu, A.; Feldman, E.; Bagan, E.; Bergou, J. A.

    2016-05-01

    We solve the long-standing problem of making n perfect clones from m copies of one of two known pure states with minimum failure probability in the general case where the known states have arbitrary a priori probabilities. The solution emerges from a geometric formulation of the problem. This formulation reveals that cloning converges to state discrimination followed by state preparation as the number of clones goes to infinity. The convergence exhibits a phenomenon analogous to a second-order symmetry-breaking phase transition.

  19. Biomedical image segmentation using geometric deformable models and metaheuristics.

    PubMed

    Mesejo, Pablo; Valsecchi, Andrea; Marrakchi-Kacem, Linda; Cagnoni, Stefano; Damas, Sergio

    2015-07-01

    This paper describes a hybrid level set approach for medical image segmentation. This new geometric deformable model combines region- and edge-based information with the prior shape knowledge introduced using deformable registration. Our proposal consists of two phases: training and test. The former implies the learning of the level set parameters by means of a Genetic Algorithm, while the latter is the proper segmentation, where another metaheuristic, in this case Scatter Search, derives the shape prior. In an experimental comparison, this approach has shown a better performance than a number of state-of-the-art methods when segmenting anatomical structures from different biomedical image modalities.

  20. Ratcheting fluid with geometric anisotropy

    NASA Astrophysics Data System (ADS)

    Thiria, Benjamin; Zhang, Jun

    2015-02-01

    We investigate a mechanism that effectively transports fluids using vibrational motion imposed onto fluid boundary with anisotropy. In our experiment, two asymmetric, sawtooth-like structures are placed facing each other and form a corrugated fluid channel. This channel is then forced to open and close periodically. Under reciprocal motion, fluid fills in the gap during the expansion phase of the channel and is then forced out during contraction. Since the fluid experiences different impedances when flowing in different directions, the stagnation point that separates flows of two directions changes within each driving period. As a result, fluid is transported unidirectionally. This ratcheting effect of fluid is demonstrated through our measurements and its working principle discussed in some detail.

  1. Modeling the Thermoelectric Properties of Ti5O9 Magnéli Phase Ceramics

    NASA Astrophysics Data System (ADS)

    Pandey, Sudeep J.; Joshi, Giri; Wang, Shidong; Curtarolo, Stefano; Gaume, Romain M.

    2016-11-01

    Magnéli phase Ti5O9 ceramics with 200-nm grain-size were fabricated by hot-pressing nanopowders of titanium and anatase TiO2 at 1223 K. The thermoelectric properties of these ceramics were investigated from room temperature to 1076 K. We show that the experimental variation of the electrical conductivity with temperature follows a non-adiabatic small-polaron model with an activation energy of 64 meV. In this paper, we propose a modified Heikes-Chaikin-Beni model, based on a canonical ensemble of closely spaced titanium t 2g levels, to account for the temperature dependency of the Seebeck coefficient. Modeling of the thermal conductivity data reveals that the phonon contribution remains constant throughout the investigated temperature range. The thermoelectric figure-of-merit ZT of this nanoceramic material reaches 0.3 K at 1076 K.

  2. Morphing of geometric composites via residual swelling.

    PubMed

    Pezzulla, Matteo; Shillig, Steven A; Nardinocchi, Paola; Holmes, Douglas P

    2015-08-07

    Understanding and controlling the shape of thin, soft objects has been the focus of significant research efforts among physicists, biologists, and engineers in the last decade. These studies aim to utilize advanced materials in novel, adaptive ways such as fabricating smart actuators or mimicking living tissues. Here, we present the controlled growth-like morphing of 2D sheets into 3D shapes by preparing geometric composite structures that deform by residual swelling. The morphing of these geometric composites is dictated by both swelling and geometry, with diffusion controlling the swelling-induced actuation, and geometric confinement dictating the structure's deformed shape. Building on a simple mechanical analog, we present an analytical model that quantitatively describes how the Gaussian and mean curvatures of a thin disk are affected by the interplay among geometry, mechanics, and swelling. This model is in excellent agreement with our experiments and numerics. We show that the dynamics of residual swelling is dictated by a competition between two characteristic diffusive length scales governed by geometry. Our results provide the first 2D analog of Timoshenko's classical formula for the thermal bending of bimetallic beams - our generalization explains how the Gaussian curvature of a 2D geometric composite is affected by geometry and elasticity. The understanding conferred by these results suggests that the controlled shaping of geometric composites may provide a simple complement to traditional manufacturing techniques.

  3. Geometric modeling of pelvic organs with thickness

    NASA Astrophysics Data System (ADS)

    Bay, T.; Chen, Z.-W.; Raffin, R.; Daniel, M.; Joli, P.; Feng, Z.-Q.; Bellemare, M.-E.

    2012-03-01

    Physiological changes in the spatial configuration of the internal organs in the abdomen can induce different disorders that need surgery. Following the complexity of the surgical procedure, mechanical simulations are necessary but the in vivo factor makes complicate the study of pelvic organs. In order to determine a realistic behavior of these organs, an accurate geometric model associated with a physical modeling is therefore required. Our approach is integrated in the partnership between a geometric and physical module. The Geometric Modeling seeks to build a continuous geometric model: from a dataset of 3D points provided by a Segmentation step, surfaces are created through a B-spline fitting process. An energy function is built to measure the bidirectional distance between surface and data. This energy is minimized with an alternate iterative Hoschek-like method. A thickness is added with an offset formulation, and the geometric model is finally exported in a hexahedral mesh. Afterward, the Physical Modeling tries to calculate the properties of the soft tissues to simulate the organs displacements. The physical parameters attached to the data are determined with a feedback loop between finite-elements deformations and ground-truth acquisition (dynamic MRI).

  4. Geometrical methods in soft condensed-matter physics

    NASA Astrophysics Data System (ADS)

    Kung, William

    We propose a geometrical picture of understanding the thermodynamic and elastic properties of charged and fuzzy colloidal crystals, by analogy to foams, as well as perform a computational exercise to confirm a new universality class for long polymers with non-trivial topologies. By the foam analogy, we relate the problem of thermodynamic stability to the Kelvin's problem of partitioning space into equal-volume cells of minimal surface area. In particular, we consider the face-centered cubic (FCC), body-centered cubic (BCC) and the beta-tungsten (A15) lattices. We write down the free energy of these solid phases directly in terms of geometric and microscopic parameters of the system, and we derive the theoretical phase diagram of an experimental charged colloidal systems [Phys. Rev. Lett. 62, 1524 (1989)]. By considering deformations to the foam cells, we also compute the cubic elastic constants of these three lattices for charged and fuzzy colloids. In the polymer problem, we consider the critical behavior of polymers much longer than their persistence length, with built-in topological constraint in the form of Fuller's relation: Lk = Tw + Wr in a theta-solvent. We map the problem to the three-dimensional symmetric U( N)-Chern Simons theory as N → 0. To two-loop order, we find a new scaling regime for the topologically constrained polymers, with critical exponents that depend on the chemical potential for writhe which gives way to a fluctuation-induced first-order transition.

  5. Young Children's Understanding of Geometric Shapes: The Role of Geometric Models

    ERIC Educational Resources Information Center

    Elia, Iliada; Gagatsis, Athanasios; Kyriakides, Leonidas

    2003-01-01

    In this paper, we explore the role of polygonal shapes as geometrical models in teaching mathematics, so as to elicit and interpret children's geometric conceptions and understanding about shapes. Primary pupils were asked to draw a stairway of figures (triangles, squares and rectangles) each one bigger than the preceding one. Pupils use two…

  6. Geometrical Aberration Suppression for Large Aperture Sub-THz Lenses

    NASA Astrophysics Data System (ADS)

    Rachon, M.; Liebert, K.; Siemion, A.; Bomba, J.; Sobczyk, A.; Knap, W.; Coquillat, D.; Suszek, J.; Sypek, M.

    2017-03-01

    Advanced THz setups require high performance optical elements with large numerical apertures and small focal lengths. This is due to the high absorption of humid air and relatively low efficiency of commercially available detectors. Here, we propose a new type of double-sided sub-THz diffractive optical element with suppressed geometrical aberration for narrowband applications (0.3 THz). One side of the element is designed as thin structure in non-paraxial approach which is the exact method, but only for ideally flat elements. The second side will compensate phase distribution differences between ideal thin structure and real volume one. The computer-aided optimization algorithm is performed to design an additional phase distribution of correcting layer assuming volume designing of the first side of the element. The experimental evaluation of the proposed diffractive component created by 3D printing technique shows almost two times larger performance in comparison with uncorrected basic diffractive lens.

  7. Geometrical Aberration Suppression for Large Aperture Sub-THz Lenses

    NASA Astrophysics Data System (ADS)

    Rachon, M.; Liebert, K.; Siemion, A.; Bomba, J.; Sobczyk, A.; Knap, W.; Coquillat, D.; Suszek, J.; Sypek, M.

    2016-11-01

    Advanced THz setups require high performance optical elements with large numerical apertures and small focal lengths. This is due to the high absorption of humid air and relatively low efficiency of commercially available detectors. Here, we propose a new type of double-sided sub-THz diffractive optical element with suppressed geometrical aberration for narrowband applications (0.3 THz). One side of the element is designed as thin structure in non-paraxial approach which is the exact method, but only for ideally flat elements. The second side will compensate phase distribution differences between ideal thin structure and real volume one. The computer-aided optimization algorithm is performed to design an additional phase distribution of correcting layer assuming volume designing of the first side of the element. The experimental evaluation of the proposed diffractive component created by 3D printing technique shows almost two times larger performance in comparison with uncorrected basic diffractive lens.

  8. A Geometric Description of Raman Fingerprints on Spinor BECs

    NASA Astrophysics Data System (ADS)

    Schultz, Justin T.; Hansen, Azure; Murphree, Joseph D.; Jayaseelan, Maitreyi; Bigelow, Nicholas P.

    2016-05-01

    We employ a geometric description of a coherent, diabatic two-photon Raman interaction as a rotation on the Bloch sphere of a spin-1/2 system. The spin state of the system is described by a point on the sphere and the time evolution is described by a trajectory of the sphere's surface. The axis of rotation is determined by properties of the optical Raman beams: the pulse area, the relative intensities, relative phase, and relative frequencies. The two-photon detuning gives fine control over the sizes and phases of the imprinted features. This interpretation allows us not only to precisely engineer complex, spatially varying spin textures, but also to characterize these textures with a form of atomic polarimetry as we demonstrate on a coreless vortex in a spinor BEC.

  9. Quantification of Osteon Morphology Using Geometric Histomorphometrics.

    PubMed

    Dillon, Scott; Cunningham, Craig; Felts, Paul

    2016-03-01

    Many histological methods in forensic anthropology utilize combinations of traditional histomorphometric parameters which may not accurately describe the morphology of microstructural features. Here, we report the novel application of a geometric morphometric method suitable when considering structures without anatomically homologous landmarks for the quantification of complete secondary osteon size and morphology. The method is tested for its suitability in the measurement of intact secondary osteons using osteons digitized from transverse femoral diaphyseal sections prepared from two human individuals. The results of methodological testing demonstrate the efficacy of the technique when applied to intact secondary osteons. In providing accurate characterization of micromorphology within the robust mathematical framework of geometric morphometrics, this method may surpass traditional histomorphometric variables currently employed in forensic research and practice. A preliminary study of the intersectional histomorphometric variation within the femoral diaphysis is made using this geometric histomorphometric method to demonstrate its potential.

  10. Geometric spin echo under zero field

    PubMed Central

    Sekiguchi, Yuhei; Komura, Yusuke; Mishima, Shota; Tanaka, Touta; Niikura, Naeko; Kosaka, Hideo

    2016-01-01

    Spin echo is a fundamental tool for quantum registers and biomedical imaging. It is believed that a strong magnetic field is needed for the spin echo to provide long memory and high resolution, since a degenerate spin cannot be controlled or addressed under a zero magnetic field. While a degenerate spin is never subject to dynamic control, it is still subject to geometric control. Here we show the spin echo of a degenerate spin subsystem, which is geometrically controlled via a mediating state split by the crystal field, in a nitrogen vacancy centre in diamond. The demonstration reveals that the degenerate spin is protected by inherent symmetry breaking called zero-field splitting. The geometric spin echo under zero field provides an ideal way to maintain the coherence without any dynamics, thus opening the way to pseudo-static quantum random access memory and non-invasive biosensors. PMID:27193936

  11. Geometric spin echo under zero field

    NASA Astrophysics Data System (ADS)

    Sekiguchi, Yuhei; Komura, Yusuke; Mishima, Shota; Tanaka, Touta; Niikura, Naeko; Kosaka, Hideo

    2016-05-01

    Spin echo is a fundamental tool for quantum registers and biomedical imaging. It is believed that a strong magnetic field is needed for the spin echo to provide long memory and high resolution, since a degenerate spin cannot be controlled or addressed under a zero magnetic field. While a degenerate spin is never subject to dynamic control, it is still subject to geometric control. Here we show the spin echo of a degenerate spin subsystem, which is geometrically controlled via a mediating state split by the crystal field, in a nitrogen vacancy centre in diamond. The demonstration reveals that the degenerate spin is protected by inherent symmetry breaking called zero-field splitting. The geometric spin echo under zero field provides an ideal way to maintain the coherence without any dynamics, thus opening the way to pseudo-static quantum random access memory and non-invasive biosensors.

  12. Overview on METEOSAT geometrical image data processing

    NASA Technical Reports Server (NTRS)

    Diekmann, Frank J.

    1994-01-01

    Digital Images acquired from the geostationary METEOSAT satellites are processed and disseminated at ESA's European Space Operations Centre in Darmstadt, Germany. Their scientific value is mainly dependent on their radiometric quality and geometric stability. This paper will give an overview on the image processing activities performed at ESOC, concentrating on the geometrical restoration and quality evaluation. The performance of the rectification process for the various satellites over the past years will be presented and the impacts of external events as for instance the Pinatubo eruption in 1991 will be explained. Special developments both in hard and software, necessary to cope with demanding tasks as new image resampling or to correct for spacecraft anomalies, are presented as well. The rotating lens of MET-5 causing severe geometrical image distortions is an example for the latter.

  13. MM Algorithms for Geometric and Signomial Programming.

    PubMed

    Lange, Kenneth; Zhou, Hua

    2014-02-01

    This paper derives new algorithms for signomial programming, a generalization of geometric programming. The algorithms are based on a generic principle for optimization called the MM algorithm. In this setting, one can apply the geometric-arithmetic mean inequality and a supporting hyperplane inequality to create a surrogate function with parameters separated. Thus, unconstrained signomial programming reduces to a sequence of one-dimensional minimization problems. Simple examples demonstrate that the MM algorithm derived can converge to a boundary point or to one point of a continuum of minimum points. Conditions under which the minimum point is unique or occurs in the interior of parameter space are proved for geometric programming. Convergence to an interior point occurs at a linear rate. Finally, the MM framework easily accommodates equality and inequality constraints of signomial type. For the most important special case, constrained quadratic programming, the MM algorithm involves very simple updates.

  14. Geometric uncertainty relation for mixed quantum states

    SciTech Connect

    Andersson, Ole Heydari, Hoshang

    2014-04-15

    In this paper we use symplectic reduction in an Uhlmann bundle to construct a principal fiber bundle over a general space of unitarily equivalent mixed quantum states. The bundle, which generalizes the Hopf bundle for pure states, gives in a canonical way rise to a Riemannian metric and a symplectic structure on the base space. With these we derive a geometric uncertainty relation for observables acting on quantum systems in mixed states. We also give a geometric proof of the classical Robertson-Schrödinger uncertainty relation, and we compare the two. They turn out not to be equivalent, because of the multiple dimensions of the gauge group for general mixed states. We give examples of observables for which the geometric relation provides a stronger estimate than that of Robertson and Schrödinger, and vice versa.

  15. Geometric Perturbation Theory and Plasma Physics

    NASA Astrophysics Data System (ADS)

    Omohundro, Stephen Malvern

    1985-12-01

    Modern differential geometric techniques are used to unify the physical asymptotics underlying mechanics, wave theory and statistical mechanics. The approach gives new insights into the structure of physical theories and is suited to the needs of modern large-scale computer simulation and symbol manipulation systems. A coordinate-free formulation of non-singular perturbation theory is given, from which a new Hamiltonian perturbation structure is derived and related to the unperturbed structure in five different ways. The theory of perturbations in the presence of symmetry is developed, and the method of averaging is related to reduction by a circle group action. The pseudo-forces and magnetic Poisson bracket terms due to reduction are given a natural asymptotic interpretation. Similar terms due to changing reference frames are related to the method of variation of parameters, which is also given a Hamiltonian formulation. These methods are used to answer a long-standing question posed by Kruskal about nearly periodic systems. The answer leads to a new secular perturbation theory that contains no ad hoc elements, which is then applied to gyromotion. Eikonal wave theory is given a Hamiltonian formulation that generalizes Whitham's Lagrangian approach. The evolution of wave action density on ray phase space is given a Hamiltonian structure using a Lie-Poisson bracket. The relationship between dissipative and Hamiltonian systems is discussed. A theory motivated by free electron lasers gives new restrictions on the change of area of projected parallelepipeds under canonical transformations. A new type of attractor is defined which attracts both forward and backward in time and is shown to occur in infinite-dimensional Hamiltonian systems with dissipative behavior. The theory of Smale horseshoes is applied to gyromotion in the neighborhood of a magnetic field reversal and the phenomenon of reinsertion in area-preserving horseshoes is introduced. The central limit theorem

  16. Novel solutions to low-frequency problems with geometrically designed beam-waveguide systems

    NASA Technical Reports Server (NTRS)

    Imbriale, W. A.; Esquivel, M. S.; Manshadi, F.

    1995-01-01

    The poor low-frequency performance of geometrically designed beam-waveguide (BWG) antennas is shown to be caused by the diffraction phase centers being far from the geometrical optics mirror focus, resulting in substantial spillover and defocusing loss. Two novel solutions are proposed: (1) reposition the mirrors to focus low frequencies and redesign the high frequencies to utilize the new mirror positions, and (2) redesign the input feed system to provide an optimum solution for the low frequency. A novel use of the conjugate phase-matching technique is utilized to design the optimum low-frequency feed system, and the new feed system has been implemented in the JPL research and development BWG as part of a dual S-/X-band (2.3 GHz/8.45 GHz) feed system. The new S-band feed system is shown to perform significantly better than the original geometrically designed system.

  17. Geometric Computation of Human Gyrification Indexes from Magnetic Resonance Images

    DTIC Science & Technology

    2009-04-01

    GEOMETRIC COMPUTATION OF HUMAN GYRIFICATION INDEXES FROM MAGNETIC RESONANCE IMAGES By Shu Su Tonya White Marcus Schmidt Chiu-Yen Kao and Guillermo...00-2009 to 00-00-2009 4. TITLE AND SUBTITLE Geometric Computation of Human Gyrification Indexes from Magnetic Resonance Images 5a. CONTRACT NUMBER... Geometric Computation of Gyrification Indexes Chiu-Yen Kao 1 Geometric Computation of Human Gyrification

  18. Primary School Teacher Candidates' Geometric Habits of Mind

    ERIC Educational Resources Information Center

    Köse, Nilu¨fer Y.; Tanisli, Dilek

    2014-01-01

    Geometric habits of mind are productive ways of thinking that support learning and using geometric concepts. Identifying primary school teacher candidates' geometric habits of mind is important as they affect the development of their future students' geometric thinking. Therefore, this study attempts to determine primary school teachers' geometric…

  19. On the dynamical and geometrical symmetries of Keplerian motion

    NASA Astrophysics Data System (ADS)

    Wulfman, Carl E.

    2009-05-01

    The dynamical symmetries of classical, relativistic and quantum-mechanical Kepler systems are considered to arise from geometric symmetries in PQET phase space. To establish their interconnection, the symmetries are related with the aid of a Lie-algebraic extension of Dirac's correspondence principle, a canonical transformation containing a Cunningham-Bateman inversion, and a classical limit involving a preliminary canonical transformation in ET space. The Lie-algebraic extension establishes the conditions under which the uncertainty principle allows the local dynamical symmetry of a quantum-mechanical system to be the same as the geometrical phase-space symmetry of its classical counterpart. The canonical transformation converts Poincaré-invariant free-particle systems into ISO(3,1) invariant relativistic systems whose classical limit produces Keplerian systems. Locally Cartesian relativistic PQET coordinates are converted into a set of eight conjugate position and momentum coordinates whose classical limit contains Fock projective momentum coordinates and the components of Runge-Lenz vectors. The coordinate systems developed via the transformations are those in which the evolution and degeneracy groups of the classical system are generated by Poisson-bracket operators that produce ordinary rotation, translation and hyperbolic motions in phase space. The way in which these define classical Keplerian symmetries and symmetry coordinates is detailed. It is shown that for each value of the energy of a Keplerian system, the Poisson-bracket operators determine two invariant functions of positions and momenta, which together with its regularized Hamiltonian, define the manifold in six-dimensional phase space upon which motions evolve.

  20. Methods of geometrical integration in accelerator physics

    NASA Astrophysics Data System (ADS)

    Andrianov, S. N.

    2016-12-01

    In the paper we consider a method of geometric integration for a long evolution of the particle beam in cyclic accelerators, based on the matrix representation of the operator of particles evolution. This method allows us to calculate the corresponding beam evolution in terms of two-dimensional matrices including for nonlinear effects. The ideology of the geometric integration introduces in appropriate computational algorithms amendments which are necessary for preserving the qualitative properties of maps presented in the form of the truncated series generated by the operator of evolution. This formalism extends both on polarized and intense beams. Examples of practical applications are described.

  1. Model-based vision using geometric hashing

    NASA Astrophysics Data System (ADS)

    Akerman, Alexander, III; Patton, Ronald

    1991-04-01

    The Geometric Hashing technique developed by the NYU Courant Institute has been applied to various automatic target recognition applications. In particular, I-MATH has extended the hashing algorithm to perform automatic target recognition ofsynthetic aperture radar (SAR) imagery. For this application, the hashing is performed upon the geometric locations of dominant scatterers. In addition to being a robust model-based matching algorithm -- invariant under translation, scale, and 3D rotations of the target -- hashing is of particular utility because it can still perform effective matching when the target is partially obscured. Moreover, hashing is very amenable to a SIMD parallel processing architecture, and thus potentially realtime implementable.

  2. Geometric Integration of Weakly Dissipative Systems

    NASA Astrophysics Data System (ADS)

    Modin, K.; Führer, C.; Soöderlind, G.

    2009-09-01

    Some problems in mechanics, e.g. in bearing simulation, contain subsystems that are conservative as well as weakly dissipative subsystems. Our experience is that geometric integration methods are often superior for such systems, as long as the dissipation is weak. Here we develop adaptive methods for dissipative perturbations of Hamiltonian systems. The methods are "geometric" in the sense that the form of the dissipative perturbation is preserved. The methods are linearly explicit, i.e., they require the solution of a linear subsystem. We sketch an analysis in terms of backward error analysis and numerical comparisons with a conventional RK method of the same order is given.

  3. Local Geometrical Machinery for Complexity and Control

    NASA Astrophysics Data System (ADS)

    Ivancevic, Vladimir G.; Reid, Darryn J.

    2015-11-01

    In this Chapter, we present local geometrical machinery for studying complexity and control, consisting of dynamics on Kähler manifolds, which combine three geometrical structures-Riemannian, symplectic and complex (Hermitian)-in a mutually compatible way. In other words, every Kähler manifold is simultaneously Riemannian, symplectic and complex (Hermitian). It is well known that Riemannian manifolds represent the stage on which Lagrangian dynamics is set, symplectic manifolds represent the stage for Hamiltonian dynamics, and complex (Hermitian) varieties comprise the stage for quantum dynamics. Therefore, Kähler manifolds represent the richest dynamical stage available where Lagrangian, Hamiltonian, and quantum dynamics all dance together.

  4. Dioxygen activation by non-adiabatic oxidative addition to a single metal center [O2 activation by non-adiabatic oxidative addition to a single metal center

    DOE PAGES

    Akturk, Eser S.; Yap, Glenn P. A.; Theopold, Klaus H.

    2015-10-16

    A chromium(I) dinitrogen complex reacts rapidly with O2 to form the mononuclear dioxo complex [TptBu,MeCrV(O)2] (TptBu,Me=hydrotris(3-tert-butyl-5-methylpyrazolyl)borate), whereas the analogous reaction with sulfur stops at the persulfido complex [TptBu,MeCrIII(S2)]. The transformation of the putative peroxo intermediate [TptBu,MeCrIII(O2)] (S=3/2) into [TptBu,MeCrV(O)2] (S=1/2) is spin-forbidden. The minimum-energy crossing point for the two potential energy surfaces has been identified. Finally, although the dinuclear complex [(TptBu,MeCr)2(μ-O)2] exists, mechanistic experiments suggest that O2 activation occurs on a single metal center, by an oxidative addition on the quartet surface followed by crossover to the doublet surface.

  5. Integral representation for geometric optics solutions

    NASA Astrophysics Data System (ADS)

    Hazak, G.; Bernstein, I. B.; Smith, T. M.

    1983-03-01

    An integral representation of the geometric optics solutions for the field of dressed particles in inhomogeneous plasma is derived. The representation is a natural generalization of the Fourier integral used for homogeneous systems. The set of plane waves is replaced by a complete orthogonal set of 'quasi-plane waves' which in practice may be constructed by using the existing ray tracing codes.

  6. Geometric Transformations in Middle School Mathematics Textbooks

    ERIC Educational Resources Information Center

    Zorin, Barbara

    2011-01-01

    This study analyzed treatment of geometric transformations in presently available middle grades (6, 7, 8) student mathematics textbooks. Fourteen textbooks from four widely used textbook series were evaluated: two mainline publisher series, Pearson (Prentice Hall) and Glencoe (Math Connects); one National Science Foundation (NSF) funded curriculum…

  7. Geometric Models for Collaborative Search and Filtering

    ERIC Educational Resources Information Center

    Bitton, Ephrat

    2011-01-01

    This dissertation explores the use of geometric and graphical models for a variety of information search and filtering applications. These models serve to provide an intuitive understanding of the problem domains and as well as computational efficiencies to our solution approaches. We begin by considering a search and rescue scenario where both…

  8. Geometrizing the Quantum - A Toy Model

    SciTech Connect

    Koch, Benjamin

    2009-12-15

    It is shown that the equations of relativistic Bohmian mechanics for multiple bosonic particles have a dual description in terms of a classical theory of conformally 'curved' space-time. This shows that it is possible to formulate quantum mechanics as a purely classical geometrical theory. The results are further generalized to interactions with an external electromagnetic field.

  9. On Arithmetic-Geometric-Mean Polynomials

    ERIC Educational Resources Information Center

    Griffiths, Martin; MacHale, Des

    2017-01-01

    We study here an aspect of an infinite set "P" of multivariate polynomials, the elements of which are associated with the arithmetic-geometric-mean inequality. In particular, we show in this article that there exist infinite subsets of probability "P" for which every element may be expressed as a finite sum of squares of real…

  10. Estimation on Geometric Measure of Quantum Coherence

    NASA Astrophysics Data System (ADS)

    Zhang, Hai-Jun; Chen, Bin; Li, Ming; Fei, Shao-Ming; Long, Gui-Lu

    2017-02-01

    We study the geometric measure of quantum coherence recently proposed in [Phys. Rev. Lett. 115, 020403 (2015)]. Both lower and upper bounds of this measure are provided. These bounds are shown to be tight for a class of important coherent states -- maximally coherent mixed states. The trade-off relation between quantum coherence and mixedness for this measure is also discussed.

  11. More Meaning from the Geometric Mean.

    ERIC Educational Resources Information Center

    Dorner, Bryan C.

    2003-01-01

    Provides classroom suggestions for combining numerical, algebraic, and geometric techniques with the understanding of a simple method for computing square roots. Historical origins of the method illustrate the debt owed to ancient minds living in what are now India, Pakistan, Iraq, and Egypt. (Author/NB)

  12. Geometric Probability and the Areas of Leaves

    ERIC Educational Resources Information Center

    Hoiberg, Karen Bush; Sharp, Janet; Hodgson, Ted; Colbert, Jim

    2005-01-01

    This article describes how a group of fifth-grade mathematics students measured irregularly shaped objects using geometric probability theory. After learning how to apply a ratio procedure to find the areas of familiar shapes, students extended the strategy for use with irregularly shaped objects, in this case, leaves. (Contains 2 tables and 8…

  13. Using geometric algebra to study optical aberrations

    SciTech Connect

    Hanlon, J.; Ziock, H.

    1997-05-01

    This paper uses Geometric Algebra (GA) to study vector aberrations in optical systems with square and round pupils. GA is a new way to produce the classical optical aberration spot diagrams on the Gaussian image plane and surfaces near the Gaussian image plane. Spot diagrams of the third, fifth and seventh order aberrations for square and round pupils are developed to illustrate the theory.

  14. Impossible Geometric Constructions: A Calculus Writing Project

    ERIC Educational Resources Information Center

    Awtrey, Chad

    2013-01-01

    This article discusses a writing project that offers students the opportunity to solve one of the most famous geometric problems of Greek antiquity; namely, the impossibility of trisecting the angle [pi]/3. Along the way, students study the history of Greek geometry problems as well as the life and achievements of Carl Friedrich Gauss. Included is…

  15. A Geometric Approach to Fair Division

    ERIC Educational Resources Information Center

    Barbanel, Julius

    2010-01-01

    We wish to divide a cake among some collection of people (who may have very different notions of the comparative value of pieces of cake) in a way that is both "fair" and "efficient." We explore the meaning of these terms, introduce two geometric tools to aid our analysis, and present a proof (due to Dietrich Weller) that establishes the existence…

  16. Plato alleges that God forever geometrizes

    NASA Astrophysics Data System (ADS)

    Ne'Eman, Yuval

    1996-05-01

    Since 1961, the experimental exploration at the fundamental level of physical reality has surprised physists by revealing to them a highly geometric scenery. Like Einstein's (classical) theory of gravity, the “standard model,” describing the strong, weak, and electromagnetic interaction, testifies in favor of Plato's reported allegation.

  17. Geometric Interpretations of Some Psychophysical Results.

    ERIC Educational Resources Information Center

    Levine, Michael V.

    A theory of psychophysics is discussed that enlarges the classical theory in three general ways: (1) the multidimensional nature of perception is made explicit; (2) the transformations of the theory are interpreted geometrically; and (3) attributes are distinguished from sensations and only partially ordered. It is shown that, with the enlarged…

  18. How Do Young Children Learn Geometric Concepts.

    ERIC Educational Resources Information Center

    Ohe, Pia

    Twenty children (ages 5 and 6) from each of seven cultural groups (Caucasian, Black, Jewish, Puerto Rican, Chinese, Korean-American and native Korean) were given a copying task of 21 geometric shapes to test the cultural invariancy of Piaget's topological-projective-Euclidean concept acquisition sequence. All subjects were either middle or lower…

  19. Modern Geometric Algebra: A (Very Incomplete!) Survey

    ERIC Educational Resources Information Center

    Suzuki, Jeff

    2009-01-01

    Geometric algebra is based on two simple ideas. First, the area of a rectangle is equal to the product of the lengths of its sides. Second, if a figure is broken apart into several pieces, the sum of the areas of the pieces equals the area of the original figure. Remarkably, these two ideas provide an elegant way to introduce, connect, and…

  20. Geometric interpretations for resonances of plasmonic nanoparticles

    PubMed Central

    Liu, Wei; Oulton, Rupert F.; Kivshar, Yuri S.

    2015-01-01

    The field of plasmonics can be roughly categorized into two branches: surface plasmon polaritons (SPPs) propagating in waveguides and localized surface plasmons (LSPs) supported by scattering particles. Investigations along these two directions usually employ different approaches, resulting in more or less a dogma that the two branches progress almost independently of each other, with few interactions. Here in this work we interpret LSPs from a Bohr model based geometric perspective relying on SPPs, thus establishing a connection between these two sub-fields. Besides the clear explanations of conventional scattering features of plasmonic nanoparticles, based on this geometric model we further demonstrate other anomalous scattering features (higher order modes supported at lower frequencies, and blueshift of the resonance with increasing particle sizes) and multiple electric resonances of the same order supported at different frequencies, which have been revealed to originate from backward SPP modes and multiple dispersion bands supported in the corresponding plasmonic waveguides, respectively. Inspired by this geometric model, it is also shown that, through solely geometric tuning, the absorption of each LSP resonance can be maximized to reach the single channel absorption limit, provided that the scattering and absorption rates are tuned to be equal. PMID:26173797

  1. An underlying geometrical manifold for Hamiltonian mechanics

    NASA Astrophysics Data System (ADS)

    Horwitz, L. P.; Yahalom, A.; Levitan, J.; Lewkowicz, M.

    2017-02-01

    We show that there exists an underlying manifold with a conformal metric and compatible connection form, and a metric type Hamiltonian (which we call the geometrical picture), that can be put into correspondence with the usual Hamilton-Lagrange mechanics. The requirement of dynamical equivalence of the two types of Hamiltonians, that the momenta generated by the two pictures be equal for all times, is sufficient to determine an expansion of the conformal factor, defined on the geometrical coordinate representation, in its domain of analyticity with coefficients to all orders determined by functions of the potential of the Hamiltonian-Lagrange picture, defined on the Hamilton-Lagrange coordinate representation, and its derivatives. Conversely, if the conformal function is known, the potential of a Hamilton-Lagrange picture can be determined in a similar way. We show that arbitrary local variations of the orbits in the Hamilton-Lagrange picture can be generated by variations along geodesics in the geometrical picture and establish a correspondence which provides a basis for understanding how the instability in the geometrical picture is manifested in the instability of the the original Hamiltonian motion.

  2. Calculation of Geometric Dilution of Precision

    NASA Astrophysics Data System (ADS)

    Zhu, Jijie

    1992-07-01

    In this short communication, a very simple closed-form formula for the calculation of the Geometric Dilution of Precision (GDOP) in Global Positioning System (GPS) navigation and in Global Navigation Satellite System (GLONASS) navigation is presented, which requires less than 40 multiplications.

  3. Geometric Representations for Discrete Fourier Transforms

    NASA Technical Reports Server (NTRS)

    Cambell, C. W.

    1986-01-01

    Simple geometric representations show symmetry and periodicity of discrete Fourier transforms (DFT's). Help in visualizing requirements for storing and manipulating transform value in computations. Representations useful in any number of dimensions, but particularly in one-, two-, and three-dimensional cases often encountered in practice.

  4. Reflections on representing non-geometric data

    NASA Technical Reports Server (NTRS)

    Emnett, R. F.; Shu, H. H.

    1984-01-01

    The American National Standard Y14.26M-1981 on Digital Representation for Communication of Product Definition Data includes an introduction, three sections corresponding to IGES (Initial Graphics Exchange Specification) Version 1.0, and Section 5, which is a constructive, relational, language based representation for geometric and topological entitles.

  5. A GEOMETRICAL HEIGHT SCALE FOR SUNSPOT PENUMBRAE

    SciTech Connect

    Puschmann, K. G.; Ruiz Cobo, B.; MartInez Pillet, V. E-mail: brc@iac.e

    2010-09-10

    Inversions of spectropolarimetric observations of penumbral filaments deliver the stratification of different physical quantities in an optical depth scale. However, without establishing a geometrical height scale, their three-dimensional geometrical structure cannot be derived. This is crucial in understanding the correct spatial variation of physical properties in the penumbral atmosphere and to provide insights into the mechanism capable of explaining the observed penumbral brightness. The aim of this work is to determine a global geometrical height scale in the penumbra by minimizing the divergence of the magnetic field vector and the deviations from static equilibrium as imposed by a force balance equation that includes pressure gradients, gravity, and the Lorentz force. Optical depth models are derived from the inversion of spectropolarimetric data of an active region observed with the Solar Optical Telescope on board the Hinode satellite. We use a genetic algorithm to determine the boundary condition for the inference of geometrical heights. The retrieved geometrical height scale permits the evaluation of the Wilson depression at each pixel and the correlation of physical quantities at each height. Our results fit into the uncombed penumbral scenario, i.e., a penumbra composed of flux tubes with channeled mass flow and with a weaker and more horizontal magnetic field as compared with the background field. The ascending material is hotter and denser than their surroundings. We do not find evidence of overturning convection or field-free regions in the inner penumbral area analyzed. The penumbral brightness can be explained by the energy transfer of the ascending mass carried by the Evershed flow, if the physical quantities below z = -75 km are extrapolated from the results of the inversion.

  6. Learning with touchscreen devices: game strategies to improve geometric thinking

    NASA Astrophysics Data System (ADS)

    Soldano, Carlotta; Arzarello, Ferdinando

    2016-03-01

    The aim of this paper is to reflect on the importance of the students' game-strategic thinking during the development of mathematical activities. In particular, we hypothesise that this type of thinking helps students in the construction of logical links between concepts during the "argumentation phase" of the proving process. The theoretical background of our study lies in the works of J. Hintikka, a Finnish logician, who developed a new type of logic, based on game theory, called the logic of inquiry. In order to experiment with this new approach to the teaching and learning of mathematics, we have prepared five game-activities based on geometric theorems in which two players play against each other in a multi-touch dynamic geometric environment (DGE). In this paper, we present the design of the first game-activity and the relationship between it and the logic of inquiry. Then, adopting the theoretical framework of the instrumental genesis by Vérillon and Rabardel (EJPE 10: 77-101, 1995), we will present and analyse significant actions and dialogues developed by students while they are solving the game. We focus on the presence of a particular way of playing the game introduced by the students, the "reflected game", and highlight its functions for the development of the task.

  7. Multiple representation approach to geometric model construction from range data

    NASA Astrophysics Data System (ADS)

    Koivunen, Visa; Vezien, Jean-Marc; Bajcsy, Ruzena

    1995-04-01

    A method is presented for constructing geometric design data from noisy 3-D sensor measurements of physical parts. In early processing phase, RLTS regression filters stemming from robust estimation theory are used for separating the desired part of the signal in contaminated sensor data from undesired part. Strategies for producing a complete 3-D data set from partial views are studied. Surface triangulation, NURBS, and superellipsoids are employed in model construction to be able to represent efficiently polygonal shapes, free form surfaces and standard primitive solids. Multiple representations are used because there is no single representation that would be most appropriate in all situations. The size of the required control point mesh for spline description is estimated using a surface characterization process. Surfaces of arbitrary topology are modeled using triangulation and trimmed NURBS. A user given tolerance value is driving refinement of the obtained surface model. The resulting model description is a procedural CAD model which can convey structural information in addition to low level geometric primitives. The model is translated to IGES standard product data exchange format to enable data sharing with other processes in concurrent engineering environment. Preliminary results on view registration and integration using simulated data are shown. Examples of model construction using both real and simulated data are also given.

  8. A geometric approach to H∞ control of nonlinear Markovian jump systems

    NASA Astrophysics Data System (ADS)

    Lin, Zhongwei; Liu, Jizhen; Zhang, Weihai; Niu, Yuguang

    2014-09-01

    This paper first discusses the H∞ control problem for a class of general nonlinear Markovian jump systems from the viewpoint of geometric control theory. Following with the updating of the Markovian jump mode, the appropriate diffeomorphism can be adopted to transform the system into special structures, which establishes the basis for the geometric control of nonlinear Markovian jump systems. Through discussing the strongly minimum-phase property or the strongly γ-dissipativity of the zero-output dynamics, the H∞ control can be designed directly without solving the traditional coupled Hamilton-Jacobi inequalities. A numerical example is presented to illustrate the effectiveness of our results.

  9. Heavy-Fermion Valence-Bond Liquids in Ultracold Atoms: Cooperation of the Kondo Effect and Geometric Frustration.

    PubMed

    Isaev, L; Rey, A M

    2015-10-16

    We analyze a microscopic mechanism behind the coexistence of a heavy Fermi liquid and geometric frustration in Kondo lattices. We consider a geometrically frustrated periodic Anderson model and demonstrate how orbital fluctuations lead to a Kondo-screened phase in the limit of extreme strong frustration when only local singlet states participate in the low-energy physics. We also propose a setup to realize and study this exotic state with SU(3)-symmetric alkaline-earth cold atoms.

  10. The bouncing ball through a geometrical series

    NASA Astrophysics Data System (ADS)

    Flores, Sergio; Alfaro, Luis L.; Chavez, Juan E.; Bastarrachea, Aztlan; Hurtado, Jazmin

    2008-10-01

    The mathematical representation of the physical situation related to a bouncing ball on the floor is an important understanding difficulty for most of the students during the introductory mechanics and mathematics courses. The research group named Physics and mathematics in context from the University of Ciudad Juarez is concerned about the versatility in the change from a mathematical representation to the own physical context of any problem under a traditional instruction. In this case, the main idea is the association of the physical properties of the bouncing ball situation to the nearest mathematical model based on a geometrical series. The proposal of the cognitive development is based on a geometrical series that shows the time the ball takes to stop. In addition, we show the behavior of the ratio of the consecutive heights during the motion.

  11. Geometric Mechanics of Periodic Pleated Origami

    NASA Astrophysics Data System (ADS)

    Wei, Z. Y.; Guo, Z. V.; Dudte, L.; Liang, H. Y.; Mahadevan, L.

    2013-05-01

    Origami structures are mechanical metamaterials with properties that arise almost exclusively from the geometry of the constituent folds and the constraint of piecewise isometric deformations. Here we characterize the geometry and planar and nonplanar effective elastic response of a simple periodically folded Miura-ori structure, which is composed of identical unit cells of mountain and valley folds with four-coordinated ridges, defined completely by two angles and two lengths. We show that the in-plane and out-of-plane Poisson’s ratios are equal in magnitude, but opposite in sign, independent of material properties. Furthermore, we show that effective bending stiffness of the unit cell is singular, allowing us to characterize the two-dimensional deformation of a plate in terms of a one-dimensional theory. Finally, we solve the inverse design problem of determining the geometric parameters for the optimal geometric and mechanical response of these extreme structures.

  12. Geometric mechanics of periodic pleated origami.

    PubMed

    Wei, Z Y; Guo, Z V; Dudte, L; Liang, H Y; Mahadevan, L

    2013-05-24

    Origami structures are mechanical metamaterials with properties that arise almost exclusively from the geometry of the constituent folds and the constraint of piecewise isometric deformations. Here we characterize the geometry and planar and nonplanar effective elastic response of a simple periodically folded Miura-ori structure, which is composed of identical unit cells of mountain and valley folds with four-coordinated ridges, defined completely by two angles and two lengths. We show that the in-plane and out-of-plane Poisson's ratios are equal in magnitude, but opposite in sign, independent of material properties. Furthermore, we show that effective bending stiffness of the unit cell is singular, allowing us to characterize the two-dimensional deformation of a plate in terms of a one-dimensional theory. Finally, we solve the inverse design problem of determining the geometric parameters for the optimal geometric and mechanical response of these extreme structures.

  13. Superatoms: Electronic and Geometric Effects on Reactivity.

    PubMed

    Reber, Arthur C; Khanna, Shiv N

    2017-02-21

    The relative role of electronic and geometric effects on the stability of clusters has been a contentious topic for quite some time, with the focus on electronic structure generally gaining the upper hand. In this Account, we hope to demonstrate that both electronic shell filling and geometric shell filling are necessary concepts for an intuitive understanding of the reactivity of metal clusters. This work will focus on the reactivity of aluminum based clusters, although these concepts may be applied to clusters of different metals and ligand protected clusters. First we highlight the importance of electronic shell closure in the stability of metallic clusters. Quantum confinement in small compact metal clusters results in the bunching of quantum states that are reminiscent of the electronic shells in atoms. Clusters with closed electronic shells and large HOMO-LUMO (highest occupied molecular orbital-lowest unoccupied molecular orbital) gaps have enhanced stability and reduced reactivity with O2 due to the need for the cluster to accommodate the spin of molecular oxygen during activation of the molecule. To intuitively understand the reactivity of clusters with protic species such as water and methanol, geometric effects are needed. Clusters with unsymmetrical structures and defects usually result in uneven charge distribution over the surface of the cluster, forming active sites. To reduce reactivity, these sites must be quenched. These concepts can also be applied to ligand protected clusters. Clusters with ligands that are balanced across the cluster are less reactive, while clusters with unbalanced ligands can result in induced active sites. Adatoms on the surface of a cluster that are bound to a ligand result in an activated adatom that reacts readily with protic species, offering a mechanism by which the defects will be etched off returning the cluster to a closed geometric shell. The goal of this Account is to argue that both geometric and electronic shell

  14. Small-on-large geometric anelasticity

    NASA Astrophysics Data System (ADS)

    Sadik, Souhayl; Yavari, Arash

    2016-11-01

    In this paper, we are concerned with finding exact solutions for the stress fields of nonlinear solids with non-symmetric distributions of defects (or more generally finite eigenstrains) that are small perturbations of symmetric distributions of defects with known exact solutions. In the language of geometric mechanics, this corresponds to finding a deformation that is a result of a perturbation of the metric of the Riemannian material manifold. We present a general framework that can be used for a systematic analysis of this class of anelasticity problems. This geometric formulation can be thought of as a material analogue of the classical small-on-large theory in nonlinear elasticity. We use the present small-on-large anelasticity theory to find exact solutions for the stress fields of some non-symmetric distributions of screw dislocations in incompressible isotropic solids.

  15. Topological minimally entangled states via geometric measure

    NASA Astrophysics Data System (ADS)

    Buerschaper, Oliver; García-Saez, Artur; Orús, Román; Wei, Tzu-Chieh

    2014-11-01

    Here we show how the Minimally Entangled States (MES) of a 2d system with topological order can be identified using the geometric measure of entanglement. We show this by minimizing this measure for the doubled semion, doubled Fibonacci and toric code models on a torus with non-trivial topological partitions. Our calculations are done either quasi-exactly for small system sizes, or using the tensor network approach in Orús et al (arXiv:1406.0585) for large sizes. As a byproduct of our methods, we see that the minimisation of the geometric entanglement can also determine the number of Abelian quasiparticle excitations in a given model. The results in this paper provide a very efficient and accurate way of extracting the full topological information of a 2d quantum lattice model from the multipartite entanglement structure of its ground states.

  16. A geometric description of human intestine.

    PubMed

    Coşkun, Ihsaniye; Yildiz, Hüseyin; Arslan, Kadri; Yildiz, Bahri

    2007-01-01

    Mathematical models of natural phenomena play a central role in the physical sciences. Moreover, modeling of the organs draws from some beautiful areas of mathematics, such as nonlinear dynamics, multiscale transforms and stability analysis. In this study, a geometric recognition of the separate intestine sections (duodenum, jejunum, ileum, cecum and colon) of the human is presented. The human intestine was considered a tubular shape along a special curve and two male Turkish men were used for the modeling study. The length (cm) and diameter (mm) of the intestines were measured with a digital compass and formulated. These models were compared with their original photographs. It has been concluded that the geometric modeling and experimental work were consistent. These kinds of organ modeling techniques will also profit to medical lecturers to show 3-D figures to their students.

  17. a Modular Geometric Model for Underwater Photogrammetry

    NASA Astrophysics Data System (ADS)

    Maas, H.-G.

    2015-04-01

    Underwater applications of photogrammetric measurement techniques usually need to deal with multimedia photogrammetry aspects, which are characterized by the necessity of handling optical rays that are broken at interfaces between optical media with different refrative indices according to Snell's Law. This so-called multimedia geometry has to be incorporated into geometric models in order to achieve correct measurement results. The paper shows a flexible yet strict geometric model for the handling of refraction effects on the optical path, which can be implemented as a module into photogrammetric standard tools such as spatial resection, spatial intersection, bundle adjustment or epipolar line computation. The module is especially well suited for applications, where an object in water is observed by cameras in air through one or more plane parallel glass interfaces, as it allows for some simplifications here.

  18. Geometric modeling for computer aided design

    NASA Technical Reports Server (NTRS)

    Schwing, James L.

    1993-01-01

    Over the past several years, it has been the primary goal of this grant to design and implement software to be used in the conceptual design of aerospace vehicles. The work carried out under this grant was performed jointly with members of the Vehicle Analysis Branch (VAB) of NASA LaRC, Computer Sciences Corp., and Vigyan Corp. This has resulted in the development of several packages and design studies. Primary among these are the interactive geometric modeling tool, the Solid Modeling Aerospace Research Tool (smart), and the integration and execution tools provided by the Environment for Application Software Integration and Execution (EASIE). In addition, it is the purpose of the personnel of this grant to provide consultation in the areas of structural design, algorithm development, and software development and implementation, particularly in the areas of computer aided design, geometric surface representation, and parallel algorithms.

  19. Geometric continuum regularization of quantum field theory

    SciTech Connect

    Halpern, M.B. . Dept. of Physics)

    1989-11-08

    An overview of the continuum regularization program is given. The program is traced from its roots in stochastic quantization, with emphasis on the examples of regularized gauge theory, the regularized general nonlinear sigma model and regularized quantum gravity. In its coordinate-invariant form, the regularization is seen as entirely geometric: only the supermetric on field deformations is regularized, and the prescription provides universal nonperturbative invariant continuum regularization across all quantum field theory. 54 refs.

  20. Chirality: a relational geometric-physical property.

    PubMed

    Gerlach, Hans

    2013-11-01

    The definition of the term chirality by Lord Kelvin in 1893 and 1904 is analyzed by taking crystallography at that time into account. This shows clearly that chirality is a relational geometric-physical property, i.e., two relations between isometric objects are possible: homochiral or heterochiral. In scientific articles the relational term chirality is often mistaken for the two valued measure for the individual (absolute) sense of chirality, an arbitrary attributive term.

  1. Geometric Factors in Target Positioning and Tracking

    DTIC Science & Technology

    2009-07-01

    used in active management of distributed sensor resources and sensor path planning. Keywords: Ranging & Bearing-Only Sensors, Geometry, LOS, GDOP ... GDOP ) A scalar value that characterizes the position solution is the geometrical dilution of precision ( GDOP ) defined as [4, 13]: ))((traceGDOP 11...HRHT (14a) ))((trace 1−= HHT when R = I (14b) For the case with two ranging sensors, the GDOP can be written as: )(sin GDOP 21 2 2 2 2 1

  2. Salt bridges: geometrically specific, designable interactions.

    PubMed

    Donald, Jason E; Kulp, Daniel W; DeGrado, William F

    2011-03-01

    Salt bridges occur frequently in proteins, providing conformational specificity and contributing to molecular recognition and catalysis. We present a comprehensive analysis of these interactions in protein structures by surveying a large database of protein structures. Salt bridges between Asp or Glu and His, Arg, or Lys display extremely well-defined geometric preferences. Several previously observed preferences are confirmed, and others that were previously unrecognized are discovered. Salt bridges are explored for their preferences for different separations in sequence and in space, geometric preferences within proteins and at protein-protein interfaces, co-operativity in networked salt bridges, inclusion within metal-binding sites, preference for acidic electrons, apparent conformational side chain entropy reduction on formation, and degree of burial. Salt bridges occur far more frequently between residues at close than distant sequence separations, but, at close distances, there remain strong preferences for salt bridges at specific separations. Specific types of complex salt bridges, involving three or more members, are also discovered. As we observe a strong relationship between the propensity to form a salt bridge and the placement of salt-bridging residues in protein sequences, we discuss the role that salt bridges might play in kinetically influencing protein folding and thermodynamically stabilizing the native conformation. We also develop a quantitative method to select appropriate crystal structure resolution and B-factor cutoffs. Detailed knowledge of these geometric and sequence dependences should aid de novo design and prediction algorithms.

  3. Time as a geometric property of space

    NASA Astrophysics Data System (ADS)

    Chappell, James; Hartnett, John; Iannella, Nicolangelo; Iqbal, Azhar; Abbott, Derek

    2016-11-01

    The proper description of time remains a key unsolved problem in science. Newton conceived of time as absolute and universal which `flows equably without relation to anything external'. In the nineteenth century, the four-dimensional algebraic structure of the quaternions developed by Hamilton, inspired him to suggest that they could provide a unified representation of space and time. With the publishing of Einstein's theory of special relativity these ideas then lead to the generally accepted Minkowski spacetime formulation in 1908. Minkowski, though, rejected the formalism of quaternions suggested by Hamilton and adopted rather an approach using four-vectors. The Minkowski framework is indeed found to provide a versatile formalism for describing the relationship between space and time in accordance with Einstein's relativistic principles, but nevertheless fails to provide more fundamental insights into the nature of time itself. In order to answer this question we begin by exploring the geometric properties of three-dimensional space that we model using Clifford geometric algebra, which is found to contain sufficient complexity to provide a natural description of spacetime. This description using Clifford algebra is found to provide a natural alternative to the Minkowski formulation as well as providing new insights into the nature of time. Our main result is that time is the scalar component of a Clifford space and can be viewed as an intrinsic geometric property of three-dimensional space without the need for the specific addition of a fourth dimension.

  4. Light polarization: A geometric-algebra approach

    NASA Astrophysics Data System (ADS)

    Baylis, W. E.; Bonenfant, J.; Derbyshire, J.; Huschilt, J.

    1993-06-01

    The geometric algebra of three-dimensional space (the ``Pauli algebra'') is known to provide an efficient geometric description of electromagnetic phenomena. Here, it is applied to the three-dimensional Stokes subspace to describe the polarization of an approximately monochromatic collimated beam of electromagnetic radiation. The coherency density ρ is a real element of the algebra whose components are the four Stokes parameters: a scalar representing the total photon flux density plus a three-dimensional vector whose direction and length in the Poincaré sphere give the type and degree of polarization. The detection of the radiation and the incoherent and coherent modification of the polarization by various optical elements are calculated by algebraic multiplication which has faithful representations in 2×2 matrices. One matrix representation of ρ is the coherency matrix with which Jones and Mueller matrices are related whereas another representation is the spin density matrix. However, the calculations are simplest to perform and interpret in the algebraic form independent of any particular matrix representation. It is shown that any possible change in the Stokes parameters can be treated algebraically by a combination of attenuation, depolarization, polarization, and rotation transformations of ρ. The geometric algebra thus unifies Stokes parameters, the Poincaré sphere, Jones and Mueller matrices, and the coherency and density matrices in a single, simple formalism.

  5. Geometric Morphometrics of Rodent Sperm Head Shape

    PubMed Central

    Varea Sánchez, María; Bastir, Markus; Roldan, Eduardo R. S.

    2013-01-01

    Mammalian spermatozoa, particularly those of rodent species, are extremely complex cells and differ greatly in form and dimensions. Thus, characterization of sperm size and, particularly, sperm shape represents a major challenge. No consensus exists on a method to objectively assess size and shape of spermatozoa. In this study we apply the principles of geometric morphometrics to analyze rodent sperm head morphology and compare them with two traditional morphometry methods, that is, measurements of linear dimensions and dimensions-derived parameters calculated using formulae employed in sperm morphometry assessments. Our results show that geometric morphometrics clearly identifies shape differences among rodent spermatozoa. It is also capable of discriminating between size and shape and to analyze these two variables separately. Thus, it provides an accurate method to assess sperm head shape. Furthermore, it can identify which sperm morphology traits differ between species, such as the protrusion or retraction of the base of the head, the orientation and relative position of the site of flagellum insertion, the degree of curvature of the hook, and other distinct anatomical features and appendices. We envisage that the use of geometric morphometrics may have a major impact on future studies focused on the characterization of sperm head formation, diversity of sperm head shape among species (and underlying evolutionary forces), the effects of reprotoxicants on changes in cell shape, and phenotyping of genetically-modified individuals. PMID:24312234

  6. A Geometric Theory of Nonlinear Morphoelastic Shells

    NASA Astrophysics Data System (ADS)

    Sadik, Souhayl; Angoshtari, Arzhang; Goriely, Alain; Yavari, Arash

    2016-08-01

    Many thin three-dimensional elastic bodies can be reduced to elastic shells: two-dimensional elastic bodies whose reference shape is not necessarily flat. More generally, morphoelastic shells are elastic shells that can remodel and grow in time. These idealized objects are suitable models for many physical, engineering, and biological systems. Here, we formulate a general geometric theory of nonlinear morphoelastic shells that describes both the evolution of the body shape, viewed as an orientable surface, as well as its intrinsic material properties such as its reference curvatures. In this geometric theory, bulk growth is modeled using an evolving referential configuration for the shell, the so-called material manifold. Geometric quantities attached to the surface, such as the first and second fundamental forms, are obtained from the metric of the three-dimensional body and its evolution. The governing dynamical equations for the body are obtained from variational consideration by assuming that both fundamental forms on the material manifold are dynamical variables in a Lagrangian field theory. In the case where growth can be modeled by a Rayleigh potential, we also obtain the governing equations for growth in the form of kinetic equations coupling the evolution of the first and the second fundamental forms with the state of stress of the shell. We apply these ideas to obtain stress-free growth fields of a planar sheet, the time evolution of a morphoelastic circular cylindrical shell subject to time-dependent internal pressure, and the residual stress of a morphoelastic planar circular shell.

  7. Landsat-5 bumper-mode geometric correction

    USGS Publications Warehouse

    Storey, J.C.; Choate, Michael J.

    2004-01-01

    The Landsat-5 Thematic Mapper (TM) scan mirror was switched from its primary operating mode to a backup mode in early 2002 in order to overcome internal synchronization problems arising from long-term wear of the scan mirror mechanism. The backup bumper mode of operation removes the constraints on scan start and stop angles enforced in the primary scan angle monitor operating mode, requiring additional geometric calibration effort to monitor the active scan angles. It also eliminates scan timing telemetry used to correct the TM scan geometry. These differences require changes to the geometric correction algorithms used to process TM data. A mathematical model of the scan mirror's behavior when operating in bumper mode was developed. This model includes a set of key timing parameters that characterize the time-varying behavior of the scan mirror bumpers. To simplify the implementation of the bumper-mode model, the bumper timing parameters were recast in terms of the calibration and telemetry data items used to process normal TM imagery. The resulting geometric performance, evaluated over 18 months of bumper-mode operations, though slightly reduced from that achievable in the primary operating mode, is still within the Landsat specifications when the data are processed with the most up-to-date calibration parameters.

  8. Geometric simulation of structures containing rigid units

    NASA Astrophysics Data System (ADS)

    Wells, Stephen

    2005-03-01

    Much insight into the behaviour of the framework silicates can be obtained from the Rigid Unit model. I review results from geometric analyses [1] of framework structures, quantifying the significance of rigid unit motion in thermal disorder and in defect accomodation, and from a method of simulation [2,3] based on a whole-body `geometric potential' rather than on interatomic potentials. I show the application of the geometric potential to the symmetry-constrained generation of hypothetical zeolite frameworks [4], and to the rapid generation of protein conformations using insights from rigid cluster decomposition [5]. 1. Wells, Dove and Tucker, Journal of Applied Crystallography, 37:536--544 (2004). 2. G.D. Gatta and S.A. Wells, Phys. Chem. Min. 31:1--10 (2004). 3. A. Sartbaeva, S. A. Wells, S. A. T. Redfern, J. Phys.: Condens. Matter 16, 8173 (2004) 4. M. M. J. Treacy, I. Rivin, E. Balkovsky, K. H. Randall and M. D. Foster, Micropor. Mesopor. Mater. 74, 121-132 (2004). 5. M.F. Thorpe, Ming Lei, A.J. Rader, Donald J. Jacobs, and Leslie A. Kuhn, Journal of Molecular Graphics and Modelling 19, 1:60 - 69, (2001).

  9. Evolutionary Optimization of a Geometrically Refined Truss

    NASA Technical Reports Server (NTRS)

    Hull, P. V.; Tinker, M. L.; Dozier, G. V.

    2007-01-01

    Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection, and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This Technical Publication (TP) presents a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: genetic algorithms and differential evolution to successfully optimize a benchmark structural optimization problem. A nontraditional solution to the benchmark problem is presented in this TP, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

  10. Algebraic and geometric spread in finite frames

    NASA Astrophysics Data System (ADS)

    King, Emily J.

    2015-08-01

    When searching for finite unit norm tight frames (FUNTFs) of M vectors in FN which yield robust representations, one is concerned with finding frames consisting of frame vectors which are in some sense as spread apart as possible. Algebraic spread and geometric spread are the two most commonly used measures of spread. A frame with optimal algebraic spread is called full spark and is such that any subcollection of N frame vectors is a basis for FN. A Grassmannian frame is a FUNTF which satisfies the Grassmannian packing problem; that is, the frame vectors are optimally geometrically spread given fixed M and N. A particular example of a Grassmannian frame is an equiangular frame, which is such that the absolute value of all inner products of distinct vectors is equal. The relationship between these two types of optimal spread is complicated. The folk knowledge for many years was that equiangular frames were full spark; however, this is now known not to hold for an infinite class of equiangular frames. The exact relationship between these types of spread will be further explored in this talk, as well as Plücker coordinates and coherence, which are measures of how much a frame misses being optimally algebraically or geometrically spread.

  11. Geometric and rediametric distortion in spaceborne SAR imagery

    NASA Technical Reports Server (NTRS)

    Curlander, J. C.

    1982-01-01

    Distortions inherent on synthetic aperture radio (SAR) imagery and the development to date of unsupervised postprocessing rectification techniques are described. The geometric distortion can be divided into two categories: (1) distortion derived from the radar viewing geometry, this includes such effects as ground range nonlinearities, radar foreshortening and radar layover; (2) distortion introduced during the data processing, these distortions result from approximations made during the correlation such as in estimation of the target phase history, or compensation for the earth rotation. The processor induced distortions depends on the specific correlation algorithm used for image formation. The effects are addressed on the image product resulting from assumptions during the processing and it specifically considers distortions inherent in digital imagery produced by the digital image processor.

  12. Optimization of the geometric parameters of spherical segments made of titanium nickelide shape memory alloys

    NASA Astrophysics Data System (ADS)

    Khusainov, M. A.; Popov, S. A.; Malukhina, O. A.

    2015-08-01

    A technique is developed to determine the force of impact of a spherical segment on an obstacle (dynamometer) during the martensite → austenite phase transition. An impact on an obstacle is shown to occur at certain ratios of the geometric parameters of a segment. A model is constructed for the dependence of the impact force on key parameters D/R and h/R, and a separating function is obtained to divide spherical segments into the segments that flick with an impact on an obstacle and the segments that restore their shape without a clap and, correspondingly, an impact. A procedure is proposed to calculate the geometric parameters of a spherical segment ( D, h, R) at a given impact force P imp and to determine the impact force from the geometric parameters of a segment.

  13. Geometric Approaches to Quadratic Equations from Other Times and Places.

    ERIC Educational Resources Information Center

    Allaire, Patricia R.; Bradley, Robert E.

    2001-01-01

    Focuses on geometric solutions of quadratic problems. Presents a collection of geometric techniques from ancient Babylonia, classical Greece, medieval Arabia, and early modern Europe to enhance the quadratic equation portion of an algebra course. (KHR)

  14. Identifying and Fostering Higher Levels of Geometric Thinking

    ERIC Educational Resources Information Center

    Škrbec, Maja; Cadež, Tatjana Hodnik

    2015-01-01

    Pierre M. Van Hiele created five levels of geometric thinking. We decided to identify the level of geometric thinking in the students in Slovenia, aged 9 to 11 years. The majority of students (60.7%) are at the transition between the zero (visual) level and the first (descriptive) level of geometric thinking. Nearly a third (31.7%) of students is…

  15. Geometric incompatibility in a fault system.

    PubMed Central

    Gabrielov, A; Keilis-Borok, V; Jackson, D D

    1996-01-01

    Interdependence between geometry of a fault system, its kinematics, and seismicity is investigated. Quantitative measure is introduced for inconsistency between a fixed configuration of faults and the slip rates on each fault. This measure, named geometric incompatibility (G), depicts summarily the instability near the fault junctions: their divergence or convergence ("unlocking" or "locking up") and accumulation of stress and deformations. Accordingly, the changes in G are connected with dynamics of seismicity. Apart from geometric incompatibility, we consider deviation K from well-known Saint Venant condition of kinematic compatibility. This deviation depicts summarily unaccounted stress and strain accumulation in the region and/or internal inconsistencies in a reconstruction of block- and fault system (its geometry and movements). The estimates of G and K provide a useful tool for bringing together the data on different types of movement in a fault system. An analog of Stokes formula is found that allows determination of the total values of G and K in a region from the data on its boundary. The phenomenon of geometric incompatibility implies that nucleation of strong earthquakes is to large extent controlled by processes near fault junctions. The junctions that have been locked up may act as transient asperities, and unlocked junctions may act as transient weakest links. Tentative estimates of K and G are made for each end of the Big Bend of the San Andreas fault system in Southern California. Recent strong earthquakes Landers (1992, M = 7.3) and Northridge (1994, M = 6.7) both reduced K but had opposite impact on G: Landers unlocked the area, whereas Northridge locked it up again. Images Fig. 1 Fig. 2 PMID:11607673

  16. Optimization of biotechnological systems through geometric programming

    PubMed Central

    Marin-Sanguino, Alberto; Voit, Eberhard O; Gonzalez-Alcon, Carlos; Torres, Nestor V

    2007-01-01

    Background In the past, tasks of model based yield optimization in metabolic engineering were either approached with stoichiometric models or with structured nonlinear models such as S-systems or linear-logarithmic representations. These models stand out among most others, because they allow the optimization task to be converted into a linear program, for which efficient solution methods are widely available. For pathway models not in one of these formats, an Indirect Optimization Method (IOM) was developed where the original model is sequentially represented as an S-system model, optimized in this format with linear programming methods, reinterpreted in the initial model form, and further optimized as necessary. Results A new method is proposed for this task. We show here that the model format of a Generalized Mass Action (GMA) system may be optimized very efficiently with techniques of geometric programming. We briefly review the basics of GMA systems and of geometric programming, demonstrate how the latter may be applied to the former, and illustrate the combined method with a didactic problem and two examples based on models of real systems. The first is a relatively small yet representative model of the anaerobic fermentation pathway in S. cerevisiae, while the second describes the dynamics of the tryptophan operon in E. coli. Both models have previously been used for benchmarking purposes, thus facilitating comparisons with the proposed new method. In these comparisons, the geometric programming method was found to be equal or better than the earlier methods in terms of successful identification of optima and efficiency. Conclusion GMA systems are of importance, because they contain stoichiometric, mass action and S-systems as special cases, along with many other models. Furthermore, it was previously shown that algebraic equivalence transformations of variables are sufficient to convert virtually any types of dynamical models into the GMA form. Thus

  17. CMOS-integrated geometrically tunable optical filters.

    PubMed

    Lerose, Damiana; Hei, Evie Kho Siaw; Ching, Bong Ching; Sterger, Martin; Yaw, Liau Chu; Schulze, Frank Michael; Schmidt, Frank; Schmidt, Andrei; Bach, Konrad

    2013-03-10

    We present a method for producing monolithically integrated complementary metal-oxide-semiconductor (CMOS) optical filters with different and customer-specific responses. The filters are constituted by a Fabry-Perot resonator formed by two Bragg mirrors separated by a patterned cavity. The filter response can be tuned by changing the geometric parameters of the patterning, and consequently the cavity effective refractive index. In this way, many different filters can be produced at once on a single chip, allowing multichanneling. The filter has been designed, produced, and characterized. The results for a chip with 24 filters are presented.

  18. In the Realm of Geometric Transitions

    SciTech Connect

    Alexander, S

    2004-09-09

    We complete the duality cycle by constructing the geometric transition duals in the type IIB, type I and heterotic theories. We show that in the type IIB theory the background on the closed string side is a Kahler deformed conifold, as expected, even though the mirror type IIA backgrounds are non-Kahler (both before and after the transition). On the other hand, the Type I and heterotic backgrounds are non-Kahler. Therefore, on the heterotic side these backgrounds give rise to new torsional manifolds that have not been studied before. We show the consistency of these backgrounds by verifying the torsional equation.

  19. Minimal representations, geometric quantization, and unitarity.

    PubMed Central

    Brylinski, R; Kostant, B

    1994-01-01

    In the framework of geometric quantization we explicitly construct, in a uniform fashion, a unitary minimal representation pio of every simply-connected real Lie group Go such that the maximal compact subgroup of Go has finite center and Go admits some minimal representation. We obtain algebraic and analytic results about pio. We give several results on the algebraic and symplectic geometry of the minimal nilpotent orbits and then "quantize" these results to obtain the corresponding representations. We assume (Lie Go)C is simple. PMID:11607478

  20. FOLD LENS FLUX ANOMALIES: A GEOMETRIC APPROACH

    SciTech Connect

    Goldberg, David M.; Chessey, Mary K.; Harris, Wendy B.; Richards, Gordon T.

    2010-06-01

    We develop a new approach for studying flux anomalies in quadruply imaged fold lens systems. We show that in the absence of substructure, microlensing, or differential absorption, the expected flux ratios of a fold pair can be tightly constrained using only geometric arguments. We apply this technique to 11 known quadruple lens systems in the radio and infrared and compare our estimates to the Monte Carlo based results of Keeton et al. We show that a robust estimate for a flux ratio from a smoothly varying potential can be found, and at long wavelengths those lenses deviating from this ratio almost certainly contain significant substructure.

  1. Fold Lens Flux Anomalies: A Geometric Approach

    NASA Astrophysics Data System (ADS)

    Goldberg, David M.; Chessey, Mary K.; Harris, Wendy B.; Richards, Gordon T.

    2010-06-01

    We develop a new approach for studying flux anomalies in quadruply imaged fold lens systems. We show that in the absence of substructure, microlensing, or differential absorption, the expected flux ratios of a fold pair can be tightly constrained using only geometric arguments. We apply this technique to 11 known quadruple lens systems in the radio and infrared and compare our estimates to the Monte Carlo based results of Keeton et al. We show that a robust estimate for a flux ratio from a smoothly varying potential can be found, and at long wavelengths those lenses deviating from this ratio almost certainly contain significant substructure.

  2. Aerospace plane guidance using geometric control theory

    NASA Technical Reports Server (NTRS)

    Van Buren, Mark A.; Mease, Kenneth D.

    1990-01-01

    A reduced-order method employing decomposition, based on time-scale separation, of the 4-D state space in a 2-D slow manifold and a family of 2-D fast manifolds is shown to provide an excellent approximation to the full-order minimum-fuel ascent trajectory. Near-optimal guidance is obtained by tracking the reduced-order trajectory. The tracking problem is solved as regulation problems on the family of fast manifolds, using the exact linearization methodology from nonlinear geometric control theory. The validity of the overall guidance approach is indicated by simulation.

  3. Geometric extension through Schwarzschild R = 0

    NASA Astrophysics Data System (ADS)

    Lynden-Bell, D.; Katz, J.

    1990-12-01

    A very simple conservation theorem pertaining to embeddings of Tolman solutions into flat space has been found which, in nonsingular regions of space-time, follows from Einstein's equations and the equations that define the embedding. If the conservation is extended to cover the singular 'surface' r = 0, it furnishes the requisite physical and geometrical supplement to Einstein's equations at the singularity; by thus bridging the singular region, a unique extension is found beyond the singularity. The passage of an extended particle through the singularity is illustrated by a classical toy model that demonstrates both the expected crushing and the emergence into extended space.

  4. Geometrical Wake of a Smooth Flat Collimator

    SciTech Connect

    Stupakov, G.V.; /SLAC

    2011-09-09

    A transverse geometrical wake generated by a beam passing through a smooth flat collimator with a gradually varying gap between the upper and lower walls is considered. Based on generalization of the approach recently developed for a smooth circular taper we reduce the electromagnetic problem of the impedance calculation to the solution of two much simpler static problems - a magnetostatic and an electrostatic ones. The solution shows that in the limit of not very large frequencies, the impedance increases with the ratio h/d where h is the width and d is the distance between the collimating jaws. Numerical results are presented for the NLC Post Linac collimator.

  5. Overview of geometrical room acoustic modeling techniques.

    PubMed

    Savioja, Lauri; Svensson, U Peter

    2015-08-01

    Computerized room acoustics modeling has been practiced for almost 50 years up to date. These modeling techniques play an important role in room acoustic design nowadays, often including auralization, but can also help in the construction of virtual environments for such applications as computer games, cognitive research, and training. This overview describes the main principles, landmarks in the development, and state-of-the-art for techniques that are based on geometrical acoustics principles. A focus is given to their capabilities to model the different aspects of sound propagation: specular vs diffuse reflections, and diffraction.

  6. Geometric formalism for DNA quadruplex folding.

    PubMed

    Webba da Silva, Mateus

    2007-01-01

    Understanding the control of self-assembly and stereochemical properties of DNA higher order architectural folds is of fundamental importance in biology as well as biochemical technological applications. Guanine-rich DNA sequences can form tetrahelical architectures termed quadruplexes. A formalism is presented describing the interdependency of a set of structural descriptors as a geometric basis for folding of unimolecular quadruplex topologies. It represents a standard for interpretation of structural characteristics of quadruplexes, and is comprehensive in explicitly harmonizing the results of published literature with a unified language. The formalism is a fundamental step towards prediction of unimolecular quadruplex folding topologies from primary sequence.

  7. Supersymmetric QCD vacua and geometrical engineering

    SciTech Connect

    Tatar, Radu; Wetenhall, Ben

    2008-02-15

    We consider the geometrical engineering constructions for the N=1 supersymmetric QCD vacua recently proposed by Giveon and Kutasov. After 1 T-duality, the geometries with wrapped D5 branes become N=1 brane configurations with NS branes and D4 branes. The field theories encoded by the geometries contain extra massive adjoint fields for the flavor group. After performing a flop, the geometries contain branes, antibranes and branes wrapped on nonholomorphic cycles. The various tachyon condensations between pairs of wrapped D5 branes and anti-D5 branes together with deformations of the cycles give rise to a variety of supersymmetric and metastable nonsupersymmetric vacua.

  8. Finite octree meshing through topologically driven geometric operators

    NASA Technical Reports Server (NTRS)

    Grice, Kurt R.

    1987-01-01

    The octree technique is developed into the finite octree, and an overview is given. Modeler requirements are given. The octree discretization is discussed along with geometric communication operators. Geometric communication operators returning topological associativity and geometric communication operators returning spatial data are also discussed and illustrated. The advantages are given of the boundary representation and of geometric communication operators. The implementation plays an important role in the integration with a variety of geometric modelers. The capabilities of closed loop processes within a complete finite element system are presented.

  9. Geometric and Radiometric Evaluation of Rasat Images

    NASA Astrophysics Data System (ADS)

    Cam, Ali; Topan, Hüseyin; Oruç, Murat; Özendi, Mustafa; Bayık, Çağlar

    2016-06-01

    RASAT, the second remote sensing satellite of Turkey, was designed and assembled, and also is being operated by TÜBİTAK Uzay (Space) Technologies Research Institute (Ankara). RASAT images in various levels are available free-of-charge via Gezgin portal for Turkish citizens. In this paper, the images in panchromatic (7.5 m GSD) and RGB (15 m GSD) bands in various levels were investigated with respect to its geometric and radiometric characteristics. The first geometric analysis is the estimation of the effective GSD as less than 1 pixel for radiometrically processed level (L1R) of both panchromatic and RGB images. Secondly, 2D georeferencing accuracy is estimated by various non-physical transformation models (similarity, 2D affine, polynomial, affine projection, projective, DLT and GCP based RFM) reaching sub-pixel accuracy using minimum 39 and maximum 52 GCPs. The radiometric characteristics are also investigated for 8 bits, estimating SNR between 21.8-42.2, and noise 0.0-3.5 for panchromatic and MS images for L1R when the sea is masked to obtain the results for land areas. The analysis show that RASAT images satisfies requirements for various applications. The research is carried out in Zonguldak test site which is mountainous and partly covered by dense forest and urban areas.

  10. Geometric Observers for Dynamically Evolving Curves

    PubMed Central

    Niethammer, Marc; Vela, Patricio A.; Tannenbaum, Allen

    2009-01-01

    This paper proposes a deterministic observer design for visual tracking based on nonparametric implicit (level-set) curve descriptions. The observer is continuous discrete with continuous-time system dynamics and discrete-time measurements. Its state-space consists of an estimated curve position augmented by additional states (e.g., velocities) associated with every point on the estimated curve. Multiple simulation models are proposed for state prediction. Measurements are performed through standard static segmentation algorithms and optical-flow computations. Special emphasis is given to the geometric formulation of the overall dynamical system. The discrete-time measurements lead to the problem of geometric curve interpolation and the discrete-time filtering of quantities propagated along with the estimated curve. Interpolation and filtering are intimately linked to the correspondence problem between curves. Correspondences are established by a Laplace-equation approach. The proposed scheme is implemented completely implicitly (by Eulerian numerical solutions of transport equations) and thus naturally allows for topological changes and subpixel accuracy on the computational grid. PMID:18421113

  11. Geometric-optical illusions at isoluminance.

    PubMed

    Hamburger, Kai; Hansen, Thorsten; Gegenfurtner, Karl R

    2007-12-01

    The idea of a largely segregated processing of color and form was initially supported by observations that geometric-optical illusions vanish under isoluminance. However, this finding is inconsistent with some psychophysical studies and also with physiological evidence showing that color and luminance are processed together by largely overlapping sets of neurons in the LGN, in V1, and in extrastriate areas. Here we examined the strength of nine geometric-optical illusions under isoluminance (Delboeuf, Ebbinghaus, Hering, Judd, Müller-Lyer, Poggendorff, Ponzo, Vertical, Zöllner). Subjects interactively manipulated computer-generated line drawings to counteract the illusory effect. In all cases, illusions presented under isoluminance (both for colors drawn from the cardinal L-M or S-(L+M) directions of DKL color space) were as effective as the luminance versions (both for high and low contrast). The magnitudes of the illusion effects were highly correlated across subjects for the different conditions. In two additional experiments we determined that the strong illusions observed under isoluminance were not due to individual deviations from the photometric point of isoluminance or due to chromatic aberrations. Our findings show that our conscious percept is affected similarly for both isoluminance and luminance conditions, suggesting that the joint processing for chromatic and luminance defined contours may extend well beyond early visual areas.

  12. Geometrical effects in X-mode scattering

    SciTech Connect

    Bretz, N.

    1986-10-01

    One technique to extend microwave scattering as a probe of long wavelength density fluctuations in magnetically confined plasmas is to consider the launching and scattering of extraordinary (X-mode) waves nearly perpendicular to the field. When the incident frequency is less than the electron cyclotron frequency, this mode can penetrate beyond the ordinary mode cutoff at the plasma frequency and avoid significant distortions from density gradients typical of tokamak plasmas. In the more familiar case, where the incident and scattered waves are ordinary, the scattering is isotropic perpendicular to the field. However, because the X-mode polarization depends on the frequency ratios and the ray angle to the magnetic field, the coupling between the incident and scattered waves is complicated. This geometrical form factor must be unfolded from the observed scattering in order to interpret the scattering due to density fluctuations alone. The geometrical factor is calculated here for the special case of scattering perpendicular to the magnetic field. For frequencies above the ordinary mode cutoff the scattering is relatively isotropic, while below cutoff there are minima in the forward and backward directions which go to zero at approximately half the ordinary mode cutoff density.

  13. Geometrically nonlinear behavior of piezoelectric laminated plates

    NASA Astrophysics Data System (ADS)

    Rabinovitch, Oded

    2005-08-01

    The geometrically nonlinear behavior of piezo-laminated plates actuated with isotropic or anisotropic piezoelectric layers is analytically investigated. The analytical model is derived using the variational principle of virtual work along with the lamination and plate theories, the von Karman large displacement and moderate rotation kinematic relations, and the anisotropic piezoelectric constitutive laws. A solution strategy that combines the approach of the method of lines, the advantages of the finite element concept, and the variational formulation is developed. This approach yields a set of nonlinear ordinary differential equations with nonlinear boundary conditions, which are solved using the multiple-shooting method. Convergence and verification of the model are examined through comparison with linear and nonlinear results of other approximation methods. The nonlinear response of two active plate structures is investigated numerically. The first plate is actuated in bending using monolithic piezoceramic layers and the second one is actuated in twist using macro-fiber composites. The results quantitatively reveal the complicated in-plane stress state associated with the piezoelectric actuation and the geometrically nonlinear coupling of the in-plane and out-of-plane responses of the plate. The influence of the nonlinear effects ranges from significant stiffening in certain combinations of electrical loads and boundary conditions to amplifications of the induced deflections in others. The paper closes with a summary and conclusions.

  14. Geometric Modelling of Octagonal Lamp Poles

    NASA Astrophysics Data System (ADS)

    Chan, T. O.; Lichti, D. D.

    2014-06-01

    Lamp poles are one of the most abundant highway and community components in modern cities. Their supporting parts are primarily tapered octagonal cones specifically designed for wind resistance. The geometry and the positions of the lamp poles are important information for various applications. For example, they are important to monitoring deformation of aged lamp poles, maintaining an efficient highway GIS system, and also facilitating possible feature-based calibration of mobile LiDAR systems. In this paper, we present a novel geometric model for octagonal lamp poles. The model consists of seven parameters in which a rotation about the z-axis is included, and points are constrained by the trigonometric property of 2D octagons after applying the rotations. For the geometric fitting of the lamp pole point cloud captured by a terrestrial LiDAR, accurate initial parameter values are essential. They can be estimated by first fitting the points to a circular cone model and this is followed by some basic point cloud processing techniques. The model was verified by fitting both simulated and real data. The real data includes several lamp pole point clouds captured by: (1) Faro Focus 3D and (2) Velodyne HDL-32E. The fitting results using the proposed model are promising, and up to 2.9 mm improvement in fitting accuracy was realized for the real lamp pole point clouds compared to using the conventional circular cone model. The overall result suggests that the proposed model is appropriate and rigorous.

  15. Translating cosmological special relativity into geometric algebra

    NASA Astrophysics Data System (ADS)

    Horn, Martin Erik

    2012-11-01

    Geometric algebra and Clifford algebra are important tools to describe and analyze the physics of the world we live in. Although there is enormous empirical evidence that we are living in four dimensional spacetime, mathematical worlds of higher dimensions can be used to present the physical laws of our world in an aesthetical and didactical more appealing way. In physics and mathematics education we are therefore confronted with the question how these high dimensional spaces should be taught. But as an immediate confrontation of students with high dimensional compactified spacetimes would expect too much from them at the beginning of their university studies, it seems reasonable to approach the mathematics and physics of higher dimensions step by step. The first step naturally is the step from four dimensional spacetime of special relativity to a five dimensional spacetime world. As a toy model for this artificial world cosmological special relativity, invented by Moshe Carmeli, can be used. This five dimensional non-compactified approach describes a spacetime which consists not only of one time dimension and three space dimensions. In addition velocity is regarded as a fifth dimension. This model very probably will not represent physics correctly. But it can be used to discuss and analyze the consequences of an additional dimension in a clear and simple way. Unfortunately Carmeli has formulated cosmological special relativity in standard vector notation. Therefore a translation of cosmological special relativity into the mathematical language of Grassmann and Clifford (Geometric algebra) is given and the physics of cosmological special relativity is discussed.

  16. Geometric representation of fundamental particles' inertial mass

    SciTech Connect

    Schachter, L.; Spencer, James

    2015-07-22

    A geometric representation of the (N = 279) masses of quarks, leptons, hadrons and gauge bosons was introduced by employing a Riemann Sphere facilitating the interpretation of the N masses in terms of a single particle, the Masson, which might be in one of the N eigen-states. Geometrically, its mass is the radius of the Riemann Sphere. Dynamically, its derived mass is near the mass of the nucleon regardless of whether it is determined from all N particles of only the hadrons, the mesons or the baryons separately. Ignoring all the other properties of these particles, it is shown that the eigen-values, the polar representation θν of the masses on the Sphere, satisfy the symmetry θν + θN+1-ν = π within less than 1% relative error. In addition, these pair correlations include the pairs θγ + θtop ≃ π and θgluon + θH ≃ π as well as pairing the weak gauge bosons with the three neutrinos.

  17. Geometric similarity between protein-RNA interfaces.

    PubMed

    Zhou, Peng; Zou, Jianwei; Tian, Feifei; Shang, Zhicai

    2009-12-01

    A new method is described to measure the geometric similarity between protein-RNA interfaces quantitatively. The method is based on a procedure that dissects the interface geometry in terms of the spatial relationships between individual amino acid nucleotide pairs. Using this technique, we performed an all-on-all comparison of 586 protein-RNA interfaces deposited in the current Protein Data Bank, as the result, an interface-interface similarity score matrix was obtained. Based upon this matrix, hierarchical clustering was carried out which yielded a complete clustering tree for the 586 protein-RNA interfaces. By investigating the organizing behavior of the clustering tree and the SCOP classification of protein partners in complexes, a geometrically nonredundant, diverse data set (representative data set) consisting of 45 distinct protein-RNA interfaces was extracted for the purpose of studying protein-RNA interactions, RNA regulations, and drug design. We classified protein-RNA interfaces into three types. In type I, the families and interface structural classes of the protein partners, as well as the interface geometries are all similar. In type II, the interface geometries and the interface structural classes are similar, whereas the protein families are different. In type III, only the interface geometries are similar but the protein families and the interface structural classes are distinct. Furthermore, we also show two new RNA recognition themes derived from the representative data set.

  18. Geometrical acoustics and transonic helicopter sound

    NASA Technical Reports Server (NTRS)

    Isom, Morris; Purcell, Timothy W.; Strawn, Roger C.

    1987-01-01

    A new method is presented for predicting the impulsive noise generated by a transonic rotor blade. The method is a combined approach involving computational fluid dynamics and geometrical acoustics. A full-potential finite-difference method is used to obtain the pressure field close to the blade. A Kirchhoff integral formulation is then used to extend these finite-difference results into the far field. This Kirchhoff formula is based on geometrical acoustics approximations. It requires initial data across a plane at the sonic radius in a blade-fixed coordinate system. This data is provided by the finite-difference solution. Acoustic pressure predictions show good agreement with hover experimental data for cases with hover tip Mach numbers of 0.88 through 0.96. The cases above 0.92 tip Mach number are dominated by non-linear transonic effects seen as strong shocks on and off the blade tip. This paper gives the first successful predictions of far-field acoustic pressures for high-speed impulsive noise over a range of Mach numbers after delocalization.

  19. Characterizing geometric accuracy and precision in image guided gated radiotherapy

    NASA Astrophysics Data System (ADS)

    Tenn, Stephen Edward

    Gated radiotherapy combined with intensity modulated or three-dimensional conformal radiotherapy for tumors in the thorax and abdomen can deliver dose distributions which conform closely to tumor shapes allowing increased tumor dose while sparing healthy tissues. These conformal fields require more accurate and precise placement than traditional fields or tumors may receive suboptimal dose thereby reducing tumor control probability. Image guidance based on four-dimensional computed tomography (4DCT) provides a means to improve accuracy and precision in radiotherapy. The ability of 4DCT to accurately reproduce patient geometry and the ability of image guided gating equipment to position tumors and place fields around them must be characterized in order to determine treatment parameters such as tumor margins. Fiducial based methods of characterizing accuracy and precision of equipment for 4DCT planning and image guided gated radiotherapy (IGGRT) are presented with results for specific equipment. Fiducial markers of known geometric orientation are used to characterize 4DCT image reconstruction accuracy. Accuracy is determined under different acquisition protocols, reconstruction phases, and phantom trajectories. Targeting accuracy of fiducial based image guided gating is assessed by measuring in-phantom field positions for different motions, gating levels and target rotations. Synchronization parameters for gating equipment are also determined. Finally, end-to-end testing is performed to assess overall accuracy and precision of the equipment under controlled conditions. 4DCT limits fiducial geometric distance errors to 2 mm for repeatable target trajectories and to 5 mm for a pseudo-random trajectory. Largest offsets were in the longitudinal direction. If correctly calibrated and synchronized, the IGGRT system tested here can target reproducibly moving tumors with accuracy better than 1.2 mm. Gating level can affect accuracy if target motion is asymmetric about the

  20. Geometric integrators for multiple time-scale simulation

    NASA Astrophysics Data System (ADS)

    Jia, Zhidong; Leimkuhler, Ben

    2006-05-01

    In this paper, we review and extend recent research on averaging integrators for multiple time-scale simulation such as are needed for physical N-body problems including molecular dynamics, materials modelling and celestial mechanics. A number of methods have been proposed for direct numerical integration of multiscale problems with special structure, such as the mollified impulse method (Garcia-Archilla, Sanz-Serna and Skeel 1999 SIAM J. Sci. Comput. 20 930-63) and the reversible averaging method (Leimkuhler and Reich 2001 J. Comput. Phys. 171 95-114). Features of problems of interest, such as thermostatted coarse-grained molecular dynamics, require extension of the standard framework. At the same time, in some applications the computation of averages plays a crucial role, but the available methods have deficiencies in this regard. We demonstrate that a new approach based on the introduction of shadow variables, which mirror physical variables, has promised for broadening the usefulness of multiscale methods and enhancing accuracy of or simplifying computation of averages. The shadow variables must be computed from an auxiliary equation. While a geometric integrator in the extended space is possible, in practice we observe enhanced long-term energy behaviour only through use of a variant of the method which controls drift of the shadow variables using dissipation and sacrifices the formal geometric properties such as time-reversibility and volume preservation in the enlarged phase space, stabilizing the corresponding properties in the physical variables. The method is applied to a gravitational three-body problem as well as a partially thermostatted model problem for a dilute gas of diatomic molecules.