Generalized analytical solutions to sequentially coupled multi-species advective-dispersive transport equations in a finite domain subject to an arbitrary time-dependent source boundary condition

NASA Astrophysics Data System (ADS)

Chen, Jui-Sheng; Liu, Chen-Wuing; Liang, Ching-Ping; Lai, Keng-Hsin

2012-08-01

SummaryMulti-species advective-dispersive transport equations sequentially coupled with first-order decay reactions are widely used to describe the transport and fate of the decay chain contaminants such as radionuclide, chlorinated solvents, and nitrogen. Although researchers attempted to present various types of methods for analytically solving this transport equation system, the currently available solutions are mostly limited to an infinite or a semi-infinite domain. A generalized analytical solution for the coupled multi-species transport problem in a finite domain associated with an arbitrary time-dependent source boundary is not available in the published literature. In this study, we first derive generalized analytical solutions for this transport problem in a finite domain involving arbitrary number of species subject to an arbitrary time-dependent source boundary. Subsequently, we adopt these derived generalized analytical solutions to obtain explicit analytical solutions for a special-case transport scenario involving an exponentially decaying Bateman type time-dependent source boundary. We test the derived special-case solutions against the previously published coupled 4-species transport solution and the corresponding numerical solution with coupled 10-species transport to conduct the solution verification. Finally, we compare the new analytical solutions derived for a finite domain against the published analytical solutions derived for a semi-infinite domain to illustrate the effect of the exit boundary condition on coupled multi-species transport with an exponential decaying source boundary. The results show noticeable discrepancies between the breakthrough curves of all the species in the immediate vicinity of the exit boundary obtained from the analytical solutions for a finite domain and a semi-infinite domain for the dispersion-dominated condition.

Light propagation from fluorescent probes in biological tissues by coupled time-dependent parabolic simplified spherical harmonics equations

PubMed Central

Domínguez, Jorge Bouza; Bérubé-Lauzière, Yves

2011-01-01

We introduce a system of coupled time-dependent parabolic simplified spherical harmonic equations to model the propagation of both excitation and fluorescence light in biological tissues. We resort to a finite element approach to obtain the time-dependent profile of the excitation and the fluorescence light fields in the medium. We present results for cases involving two geometries in three-dimensions: a homogeneous cylinder with an embedded fluorescent inclusion and a realistically-shaped rodent with an embedded inclusion alike an organ filled with a fluorescent probe. For the cylindrical geometry, we show the differences in the time-dependent fluorescence response for a point-like, a spherical, and a spherically Gaussian distributed fluorescent inclusion. From our results, we conclude that the model is able to describe the time-dependent excitation and fluorescent light transfer in small geometries with high absorption coefficients and in nondiffusive domains, as may be found in small animal diffuse optical tomography (DOT) and fluorescence DOT imaging. PMID:21483606

Combined effect of Piezo-viscous dependency and non- Newtonian couple stresses in Annular Plates Squeeze-Film characteristics

NASA Astrophysics Data System (ADS)

Hanumagowda, B. N.; Savitramma, G.; Salma, A.; Noorjahan

2018-04-01

In this article, the theoretical analysis of the combined study of non-Newtonian couple stresses with piezo-viscous dependency for annular plates squeeze film bearings have been carried out, with help of stokes micro continuum theory along with the exponential variation of viscosity with pressure. An approximate analytical solution is found using a small perturbation method. The solution for pressure and load capacity with distinct values of viscosity-pressure parameter are calculated and compared with iso-viscous couple stress and Newtonian lubricants and the results reveals that the effect of couple stresses and pressure-dependent viscosity variation enhances the load-carrying capacity and lengthens the squeeze film time.

Ultra-narrow EIA spectra of 85Rb atom in a degenerate Zeeman multiplet system

NASA Astrophysics Data System (ADS)

Rehman, Hafeez Ur; Qureshi, Muhammad Mohsin; Noh, Heung-Ryoul; Kim, Jin-Tae

2015-05-01

Ultra-narrow EIA spectral features of thermal 85Rb atom with respect to coupling Rabi frequencies in a degenerate Zeeman multiplet system have been unraveled in the cases of same (σ+ -σ+ , π ∥ π) and orthogonal (σ+ -σ- , π ⊥ π)polarization configurations. The EIA signals with subnatural linewidth of ~ 100 kHz even in the cases of same circular and linear polarizations of coupling and probe laser have been obtained for the first time theoretically and experimentally. In weak coupling power limit of orthogonal polarization configurations, time-dependent transfer of coherence plays major role in the splitting of the EIA spectra while in strong coupling power, Mollow triplet-like mechanism due to strong power bring into broad split feature. The experimental ultra-narrow EIA features using one laser combined with an AOM match well with simulated spectra obtained by using generalized time-dependent optical Bloch equations.

Modeling high-order synchronization epochs and transitions in the cardiovascular system

NASA Astrophysics Data System (ADS)

García-Álvarez, David; Bahraminasab, Alireza; Stefanovska, Aneta; McClintock, Peter V. E.

2007-12-01

We study a system consisting of two coupled phase oscillators in the presence of noise. This system is used as a model for the cardiorespiratory interaction in wakefulness and anaesthesia. We show that longrange correlated noise produces transitions between epochs with different n:m synchronisation ratios, as observed in the cardiovascular system. Also, we see that, the smaller the noise (specially the one acting on the slower oscillator), the bigger the synchronisation time, exactly as happens in anaesthesia compared with wakefulness. The dependence of the synchronisation time on the couplings, in the presence of noise, is studied; such dependence is softened by low-frequency noise. We show that the coupling from the slow oscillator to the fast one (respiration to heart) plays a more important role in synchronisation. Finally, we see that the isolines with same synchronisation time seem to be a linear combination of the two couplings.

Exact solutions for coupled Einstein, Dirac, Maxwell, and zero-mass scalar fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patra, A.C.; Ray, D.

1987-12-01

Coupled equations for Einstein, Maxwell, Dirac, and zero-mass scalar fields studied by Krori, Bhattacharya, and Nandi are integrated for plane-symmetric time-independent case. It is shown that solutions do not exist for the plane-symmetric time-dependent case.

Control of amplitude chimeras by time delay in oscillator networks

NASA Astrophysics Data System (ADS)

Gjurchinovski, Aleksandar; Schöll, Eckehard; Zakharova, Anna

2017-04-01

We investigate the influence of time-delayed coupling in a ring network of nonlocally coupled Stuart-Landau oscillators upon chimera states, i.e., space-time patterns with coexisting partially coherent and partially incoherent domains. We focus on amplitude chimeras, which exhibit incoherent behavior with respect to the amplitude rather than the phase and are transient patterns, and we show that their lifetime can be significantly enhanced by coupling delay. To characterize their transition to phase-lag synchronization (coherent traveling waves) and other coherent structures, we generalize the Kuramoto order parameter. Contrasting the results for instantaneous coupling with those for constant coupling delay, for time-varying delay, and for distributed-delay coupling, we demonstrate that the lifetime of amplitude chimera states and related partially incoherent states can be controlled, i.e., deliberately reduced or increased, depending upon the type of coupling delay.

Exact synchronization bound for coupled time-delay systems.

PubMed

Senthilkumar, D V; Pesquera, Luis; Banerjee, Santo; Ortín, Silvia; Kurths, J

2013-04-01

We obtain an exact bound for synchronization in coupled time-delay systems using the generalized Halanay inequality for the general case of time-dependent delay, coupling, and coefficients. Furthermore, we show that the same analysis is applicable to both uni- and bidirectionally coupled time-delay systems with an appropriate evolution equation for their synchronization manifold, which can also be defined for different types of synchronization. The exact synchronization bound assures an exponential stabilization of the synchronization manifold which is crucial for applications. The analytical synchronization bound is independent of the nature of the modulation and can be applied to any time-delay system satisfying a Lipschitz condition. The analytical results are corroborated numerically using the Ikeda system.

Photoionization of Ne8+

NASA Astrophysics Data System (ADS)

Pindzola, M. S.; Abdel-Naby, Sh. A.; Robicheaux, F.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Ne8+ are calculated using a non-perturbative fully relativistic time-dependent close-coupling method. A Bessel function expansion is used to include both dipole and quadrupole effects in the radiation field interaction and the repulsive interaction between electrons includes both the Coulomb and Gaunt interactions. The fully correlated ground state of Ne8+ is obtained by solving a time-independent inhomogeneous set of close-coupled equations. Propagation of the time-dependent close-coupled equations yields single and double photoionization cross sections for Ne8+ at energies easily accessible at advanced free electron laser facilities. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Time-dependent quantum wave packet calculation for nonadiabatic F(2P3/2,2P1/2)+H2 reaction

NASA Astrophysics Data System (ADS)

Zhang, Yan; Xie, Ting-Xian; Han, Ke-Li; Zhang, John Z. H.

2003-12-01

In this paper we present a time-dependent quantum wave packet calculation for the reaction of F(2P3/2,2P1/2)+H2 on the Alexander-Stark-Werner potential energy surface. The reaction probabilities and the integral cross sections for the reaction of F(2P3/2,2P1/2)+H2 (v=j=0) are computed using time-dependent quantum methods with the centrifugal sudden approximate. The results are compared with recent time-independent quantum calculations. The two-surface reaction probability for the initial ground spin-orbit state of J=0.5 is similar to the time-independent result obtained by Alexander et al. [J. Chem. Phys. 113, 11084 (2000)]. Our calculation also shows that electronic coupling has a relatively minor effect on the reactivity from the 2P3/2 state but a non-negligible one from the 2P1/2 state. By comparison with exact time-independent calculations, it is found that the Coriolis coupling plays a relatively minor role. In addition, most of the reactivity of the excited state of fluorine atom results from the spin-orbit coupling.

Inference of Time-Evolving Coupled Dynamical Systems in the Presence of Noise

NASA Astrophysics Data System (ADS)

Stankovski, Tomislav; Duggento, Andrea; McClintock, Peter V. E.; Stefanovska, Aneta

2012-07-01

A new method is introduced for analysis of interactions between time-dependent coupled oscillators, based on the signals they generate. It distinguishes unsynchronized dynamics from noise-induced phase slips and enables the evolution of the coupling functions and other parameters to be followed. It is based on phase dynamics, with Bayesian inference of the time-evolving parameters achieved by shaping the prior densities to incorporate knowledge of previous samples. The method is tested numerically and applied to reveal and quantify the time-varying nature of cardiorespiratory interactions.

Solidification of a binary mixture

NASA Technical Reports Server (NTRS)

Antar, B. N.

1982-01-01

The time dependent concentration and temperature profiles of a finite layer of a binary mixture are investigated during solidification. The coupled time dependent Stefan problem is solved numerically using an implicit finite differencing algorithm with the method of lines. Specifically, the temporal operator is approximated via an implicit finite difference operator resulting in a coupled set of ordinary differential equations for the spatial distribution of the temperature and concentration for each time. Since the resulting differential equations set form a boundary value problem with matching conditions at an unknown spatial point, the method of invariant imbedding is used for its solution.

Insensitivity of synchronization to network structure in chaotic pendulum systems with time-delay coupling.

PubMed

Yao, Chenggui; Zhan, Meng; Shuai, Jianwei; Ma, Jun; Kurths, Jürgen

2017-12-01

It has been generally believed that both time delay and network structure could play a crucial role in determining collective dynamical behaviors in complex systems. In this work, we study the influence of coupling strength, time delay, and network topology on synchronization behavior in delay-coupled networks of chaotic pendulums. Interestingly, we find that the threshold value of the coupling strength for complete synchronization in such networks strongly depends on the time delay in the coupling, but appears to be insensitive to the network structure. This lack of sensitivity was numerically tested in several typical regular networks, such as different locally and globally coupled ones as well as in several complex networks, such as small-world and scale-free networks. Furthermore, we find that the emergence of a synchronous periodic state induced by time delay is of key importance for the complete synchronization.

Gauge theories with time dependent couplings and their cosmological duals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Awad, Adel; Center for Theoretical Physics, British University of Egypt, Sherouk City 11837, P.O. Box 43; Das, Sumit R.

2009-02-15

We consider the N=4 super Yang-Mills theory in flat 3+1-dimensional space-time with a time dependent coupling constant which vanishes at t=0, like g{sub YM}{sup 2}=t{sup p}. In an analogous quantum mechanics toy model we find that the response is singular. The energy diverges at t=0, for a generic state. In addition, if p>1 the phase of the wave function has a wildly oscillating behavior, which does not allow it to be continued past t=0. A similar effect would make the gauge theory singular as well, though nontrivial effects of renormalization could tame this singularity and allow a smooth continuation beyondmore » t=0. The gravity dual in some cases is known to be a time dependent cosmology which exhibits a spacelike singularity at t=0. Our results, if applicable in the gauge theory for the case of the vanishing coupling, imply that the singularity is a genuine sickness and does not admit a meaningful continuation. When the coupling remains nonzero and becomes small at t=0, the curvature in the bulk becomes of order string scale. The gauge theory now admits a time evolution beyond this point. In this case, a finite amount of energy is produced which possibly thermalizes and leads to a black hole in the bulk.« less

Holographic constraints on Bjorken hydrodynamics at finite coupling

NASA Astrophysics Data System (ADS)

DiNunno, Brandon S.; Grozdanov, Sašo; Pedraza, Juan F.; Young, Steve

2017-10-01

In large- N c conformal field theories with classical holographic duals, inverse coupling constant corrections are obtained by considering higher-derivative terms in the corresponding gravity theory. In this work, we use type IIB supergravity and bottom-up Gauss-Bonnet gravity to study the dynamics of boost-invariant Bjorken hydrodynamics at finite coupling. We analyze the time-dependent decay properties of non-local observables (scalar two-point functions and Wilson loops) probing the different models of Bjorken flow and show that they can be expressed generically in terms of a few field theory parameters. In addition, our computations provide an analytically quantifiable probe of the coupling-dependent validity of hydrodynamics at early times in a simple model of heavy-ion collisions, which is an observable closely analogous to the hydrodynamization time of a quark-gluon plasma. We find that to third order in the hydrodynamic expansion, the convergence of hydrodynamics is improved and that generically, as expected from field theory considerations and recent holographic results, the applicability of hydrodynamics is delayed as the field theory coupling decreases.

Thermal coupling effect on the vortex dynamics of superconducting thin films: time-dependent Ginzburg–Landau simulations

NASA Astrophysics Data System (ADS)

Jing, Ze; Yong, Huadong; Zhou, Youhe

2018-05-01

In this paper, vortex dynamics of superconducting thin films are numerically investigated by the generalized time-dependent Ginzburg–Landau (TDGL) theory. Interactions between vortex motion and the motion induced energy dissipation is considered by solving the coupled TDGL equation and the heat diffusion equation. It is found that thermal coupling has significant effects on the vortex dynamics of superconducting thin films. Branching in the vortex penetration path originates from the coupling between vortex motion and the motion induced energy dissipation. In addition, the environment temperature, the magnetic field ramp rate and the geometry of the superconducting film also greatly influence the vortex dynamic behaviors. Our results provide new insights into the dynamics of superconducting vortices, and give a mesoscopic understanding on the channeling and branching of vortex penetration paths during flux avalanches.

Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

NASA Astrophysics Data System (ADS)

Ono, Junichi; Takada, Shoji; Saito, Shinji

2015-06-01

An analytical method based on a three-time correlation function and the corresponding two-dimensional (2D) lifetime spectrum is developed to elucidate the time-dependent couplings between the multi-timescale (i.e., hierarchical) conformational dynamics in heterogeneous systems such as proteins. In analogy with 2D NMR, IR, electronic, and fluorescence spectroscopies, the waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra can provide a quantitative description of the dynamical correlations between the conformational motions with different lifetimes. The present method is applied to intrinsic conformational changes of substrate-free adenylate kinase (AKE) using long-time coarse-grained molecular dynamics simulations. It is found that the hierarchical conformational dynamics arise from the intra-domain structural transitions among conformational substates of AKE by analyzing the one-time correlation functions and one-dimensional lifetime spectra for the donor-acceptor distances corresponding to single-molecule Förster resonance energy transfer experiments with the use of the principal component analysis. In addition, the complicated waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra for the donor-acceptor distances is attributed to the fact that the time evolution of the couplings between the conformational dynamics depends upon both the spatial and temporal characters of the system. The present method is expected to shed light on the biological relationship among the structure, dynamics, and function.

Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ono, Junichi; Takada, Shoji; Department of Biophysics, Graduate School of Science, Kyoto University, Kyoto 606-8502

2015-06-07

An analytical method based on a three-time correlation function and the corresponding two-dimensional (2D) lifetime spectrum is developed to elucidate the time-dependent couplings between the multi-timescale (i.e., hierarchical) conformational dynamics in heterogeneous systems such as proteins. In analogy with 2D NMR, IR, electronic, and fluorescence spectroscopies, the waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra can provide a quantitative description of the dynamical correlations between the conformational motions with different lifetimes. The present method is applied to intrinsic conformational changes of substrate-free adenylate kinase (AKE) using long-time coarse-grained molecular dynamics simulations. It is found that the hierarchicalmore » conformational dynamics arise from the intra-domain structural transitions among conformational substates of AKE by analyzing the one-time correlation functions and one-dimensional lifetime spectra for the donor-acceptor distances corresponding to single-molecule Förster resonance energy transfer experiments with the use of the principal component analysis. In addition, the complicated waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra for the donor-acceptor distances is attributed to the fact that the time evolution of the couplings between the conformational dynamics depends upon both the spatial and temporal characters of the system. The present method is expected to shed light on the biological relationship among the structure, dynamics, and function.« less

Nonergodic property of the space-time coupled CTRW: Dependence on the long-tailed property and correlation

NASA Astrophysics Data System (ADS)

Liu, Jian; Li, Baohe; Chen, Xiaosong

2018-02-01

The space-time coupled continuous time random walk model is a stochastic framework of anomalous diffusion with many applications in physics, geology and biology. In this manuscript the time averaged mean squared displacement and nonergodic property of a space-time coupled continuous time random walk model is studied, which is a prototype of the coupled continuous time random walk presented and researched intensively with various methods. The results in the present manuscript show that the time averaged mean squared displacements increase linearly with lag time which means ergodicity breaking occurs, besides, we find that the diffusion coefficient is intrinsically random which shows both aging and enhancement, the analysis indicates that the either aging or enhancement phenomena are determined by the competition between the correlation exponent γ and the waiting time's long-tailed index α.

Emergence of Landauer transport from quantum dynamics: A model Hamiltonian approach

NASA Astrophysics Data System (ADS)

Pal, Partha Pratim; Ramakrishna, S.; Seideman, Tamar

2018-04-01

The Landauer expression for computing current-voltage characteristics in nanoscale devices is efficient but not suited to transient phenomena and a time-dependent current because it is applicable only when the charge carriers transition into a steady flux after an external perturbation. In this article, we construct a very general expression for time-dependent current in an electrode-molecule-electrode arrangement. Utilizing a model Hamiltonian (consisting of the subsystem energy levels and their electronic coupling terms), we propagate the Schrödinger wave function equation to numerically compute the time-dependent population in the individual subsystems. The current in each electrode (defined in terms of the rate of change of the corresponding population) has two components, one due to the charges originating from the same electrode and the other due to the charges initially residing at the other electrode. We derive an analytical expression for the first component and illustrate that it agrees reasonably with its numerical counterpart at early times. Exploiting the unitary evolution of a wavefunction, we construct a more general Landauer style formula and illustrate the emergence of Landauer transport from our simulations without the assumption of time-independent charge flow. Our generalized Landauer formula is valid at all times for models beyond the wide-band limit, non-uniform electrode density of states and for time and energy-dependent electronic coupling between the subsystems. Subsequently, we investigate the ingredients in our model that regulate the onset time scale of this steady state. We compare the performance of our general current expression with the Landauer current for time-dependent electronic coupling. Finally, we comment on the applicability of the Landauer formula to compute hot-electron current arising upon plasmon decoherence.

Emergence of Landauer transport from quantum dynamics: A model Hamiltonian approach.

PubMed

Pal, Partha Pratim; Ramakrishna, S; Seideman, Tamar

2018-04-14

The Landauer expression for computing current-voltage characteristics in nanoscale devices is efficient but not suited to transient phenomena and a time-dependent current because it is applicable only when the charge carriers transition into a steady flux after an external perturbation. In this article, we construct a very general expression for time-dependent current in an electrode-molecule-electrode arrangement. Utilizing a model Hamiltonian (consisting of the subsystem energy levels and their electronic coupling terms), we propagate the Schrödinger wave function equation to numerically compute the time-dependent population in the individual subsystems. The current in each electrode (defined in terms of the rate of change of the corresponding population) has two components, one due to the charges originating from the same electrode and the other due to the charges initially residing at the other electrode. We derive an analytical expression for the first component and illustrate that it agrees reasonably with its numerical counterpart at early times. Exploiting the unitary evolution of a wavefunction, we construct a more general Landauer style formula and illustrate the emergence of Landauer transport from our simulations without the assumption of time-independent charge flow. Our generalized Landauer formula is valid at all times for models beyond the wide-band limit, non-uniform electrode density of states and for time and energy-dependent electronic coupling between the subsystems. Subsequently, we investigate the ingredients in our model that regulate the onset time scale of this steady state. We compare the performance of our general current expression with the Landauer current for time-dependent electronic coupling. Finally, we comment on the applicability of the Landauer formula to compute hot-electron current arising upon plasmon decoherence.

Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nascimento, Daniel R.; DePrince, A. Eugene, E-mail: deprince@chem.fsu.edu

2015-12-07

We present a combined cavity quantum electrodynamics/ab initio electronic structure approach for simulating plasmon-molecule interactions in the time domain. The simple Jaynes-Cummings-type model Hamiltonian typically utilized in such simulations is replaced with one in which the molecular component of the coupled system is treated in a fully ab initio way, resulting in a computationally efficient description of general plasmon-molecule interactions. Mutual polarization effects are easily incorporated within a standard ground-state Hartree-Fock computation, and time-dependent simulations carry the same formal computational scaling as real-time time-dependent Hartree-Fock theory. As a proof of principle, we apply this generalized method to the emergence ofmore » a Fano-like resonance in coupled molecule-plasmon systems; this feature is quite sensitive to the nanoparticle-molecule separation and the orientation of the molecule relative to the polarization of the external electric field.« less

Time-dependent interaction between a two-level atom and a su(1,1) Lie algebra quantum system

NASA Astrophysics Data System (ADS)

Abdalla, M. Sebaweh; Khalil, E. M.; Obada, A.-S. F.

2017-06-01

The problem of the interaction between a two-level atom and a two-mode field in the parametric amplifier-type is considered. A similar problem appears in an ion trapped in a two-dimensional trap. The problem is transformed into an interaction governed by su(1,1) Lie algebraic operators with phase and coupling parameter depending on time. Under an integrability condition, that relates phase and coupling, a solution to the wavefunction is obtained using the Schrödinger equation. The effects of the functional dependence of the coupling and the initial state of the two-level atom on atomic inversion, the degree of entanglement, the fidelity and the Glauber second-order correlation function are investigated. It is shown that the acceleration term plays an important role in controlling the function behavior of the considered quantities.

Time-varying coupling functions: Dynamical inference and cause of synchronization transitions

NASA Astrophysics Data System (ADS)

Stankovski, Tomislav

2017-02-01

Interactions in nature can be described by their coupling strength, direction of coupling, and coupling function. The coupling strength and directionality are relatively well understood and studied, at least for two interacting systems; however, there can be a complexity in the interactions uniquely dependent on the coupling functions. Such a special case is studied here: synchronization transition occurs only due to the time variability of the coupling functions, while the net coupling strength is constant throughout the observation time. To motivate the investigation, an example is used to present an analysis of cross-frequency coupling functions between delta and alpha brain waves extracted from the electroencephalography recording of a healthy human subject in a free-running resting state. The results indicate that time-varying coupling functions are a reality for biological interactions. A model of phase oscillators is used to demonstrate and detect the synchronization transition caused by the varying coupling functions during an invariant coupling strength. The ability to detect this phenomenon is discussed with the method of dynamical Bayesian inference, which was able to infer the time-varying coupling functions. The form of the coupling function acts as an additional dimension for the interactions, and it should be taken into account when detecting biological or other interactions from data.

Timing in quantum measurements of position and momentum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Busshardt, Michael; Freyberger, Matthias

2010-10-15

The prototype for a simultaneous measurement of two conjugate variables was originally introduced by Arthurs and Kelly in 1965. It relies on coupling the quantum particle to be probed to two additional systems, which serve as measurement pointers. In this contribution we investigate an extended scheme to measure position and momentum of a massive particle. By considering an explictly time-dependent coupling we can quantify the timing of the measurement. We investigate how the noise resulting from such a measurement process depends on the interaction strength and the size of the pointers. In particular, we focus on the question of whichmore » measurement timing minimizes the corresponding uncertainty product.« less

Diabatization for Time-Dependent Density Functional Theory: Exciton Transfers and Related Conical Intersections.

PubMed

Tamura, Hiroyuki

2016-11-23

Intermolecular exciton transfers and related conical intersections are analyzed by diabatization for time-dependent density functional theory. The diabatic states are expressed as a linear combination of the adiabatic states so as to emulate the well-defined reference states. The singlet exciton coupling calculated by the diabatization scheme includes contributions from the Coulomb (Förster) and electron exchange (Dexter) couplings. For triplet exciton transfers, the Dexter coupling, charge transfer integral, and diabatic potentials of stacked molecules are calculated for analyzing direct and superexchange pathways. We discuss some topologies of molecular aggregates that induce conical intersections on the vanishing points of the exciton coupling, namely boundary of H- and J-aggregates and T-shape aggregates, as well as canceled exciton coupling to the bright state of H-aggregate, i.e., selective exciton transfer to the dark state. The diabatization scheme automatically accounts for the Berry phase by fixing the signs of reference states while scanning the coordinates.

Optimal state transfer of a single dissipative two-level system

NASA Astrophysics Data System (ADS)

Jirari, Hamza; Wu, Ning

2016-04-01

Optimal state transfer of a single two-level system (TLS) coupled to an Ohmic boson bath via off-diagonal TLS-bath coupling is studied by using optimal control theory. In the weak system-bath coupling regime where the time-dependent Bloch-Redfield formalism is applicable, we obtain the Bloch equation to probe the evolution of the dissipative TLS in the presence of a time-dependent external control field. By using the automatic differentiation technique to compute the gradient for the cost functional, we calculate the optimal transfer integral profile that can achieve an ideal transfer within a dimer system in the Fenna-Matthews-Olson (FMO) model. The robustness of the control profile against temperature variation is also analyzed.

Time Delay in the Kuramoto Model of Coupled Oscillators

NASA Astrophysics Data System (ADS)

Yeung, M. K. Stephen; Strogatz, Steven H.

1999-01-01

We generalize the Kuramoto model of coupled oscillators to allow time-delayed interactions. New phenomena include bistability between synchronized and incoherent states, and unsteady solutions with time-dependent order parameters. We derive exact formulas for the stability boundaries of the incoherent and synchronized states, as a function of the delay, in the special case where the oscillators are identical. The experimental implications of the model are discussed for populations of chirping crickets, where the finite speed of sound causes communication delays, and for physical systems such as coupled phase-locked loops or lasers.

Concordance between partners in desired waiting time to birth for newlyweds in India

PubMed Central

Singh, Abhishek; Becker, Stan

2014-01-01

Examining waiting time to birth among newlywed couples is likely to provide insights into the desire for spacing births among newlywed husbands and wives. Data from the Indian National Family Health Survey of 2005-06 is used to examine the desired waiting time (DWT) to birth among newlywed couples. The dependent variable is spousal concordance on desired times. Overall 65 % of couples have concordant DWTs. Among discordant couples, wives were more likely to want to wait longer than their husbands. Couples from richer wealth quintiles were more likely than couples from poorest quintile to have a concordant DWTs. Muslims were less likely than Hindus to have concordant desires. There is a need for spacing methods among newlyweds. This may have implications for the Indian Family Planning Programme which to date has largely focused on sterilization. Programmes need to include newlywed husbands to promote use of spacing methods. PMID:21933466

Thermalization and confinement in strongly coupled gauge theories

NASA Astrophysics Data System (ADS)

Ishii, Takaaki; Kiritsis, Elias; Rosen, Christopher

2016-11-01

Quantum field theories of strongly interacting matter sometimes have a useful holographic description in terms of the variables of a gravitational theory in higher dimensions. This duality maps time dependent physics in the gauge theory to time dependent solutions of the Einstein equations in the gravity theory. In order to better understand the process by which "real world" theories such as QCD behave out of thermodynamic equilibrium, we study time dependent perturbations to states in a model of a confining, strongly coupled gauge theory via holography. Operationally, this involves solving a set of non-linear Einstein equations supplemented with specific time dependent boundary conditions. The resulting solutions allow one to comment on the timescale by which the perturbed states thermalize, as well as to quantify the properties of the final state as a function of the perturbation parameters. We comment on the influence of the dual gauge theory's confinement scale on these results, as well as the appearance of a previously anticipated universal scaling regime in the "abrupt quench" limit.

Noise-constrained switching times for heteroclinic computing

NASA Astrophysics Data System (ADS)

Neves, Fabio Schittler; Voit, Maximilian; Timme, Marc

2017-03-01

Heteroclinic computing offers a novel paradigm for universal computation by collective system dynamics. In such a paradigm, input signals are encoded as complex periodic orbits approaching specific sequences of saddle states. Without inputs, the relevant states together with the heteroclinic connections between them form a network of states—the heteroclinic network. Systems of pulse-coupled oscillators or spiking neurons naturally exhibit such heteroclinic networks of saddles, thereby providing a substrate for general analog computations. Several challenges need to be resolved before it becomes possible to effectively realize heteroclinic computing in hardware. The time scales on which computations are performed crucially depend on the switching times between saddles, which in turn are jointly controlled by the system's intrinsic dynamics and the level of external and measurement noise. The nonlinear dynamics of pulse-coupled systems often strongly deviate from that of time-continuously coupled (e.g., phase-coupled) systems. The factors impacting switching times in pulse-coupled systems are still not well understood. Here we systematically investigate switching times in dependence of the levels of noise and intrinsic dissipation in the system. We specifically reveal how local responses to pulses coact with external noise. Our findings confirm that, like in time-continuous phase-coupled systems, piecewise-continuous pulse-coupled systems exhibit switching times that transiently increase exponentially with the number of switches up to some order of magnitude set by the noise level. Complementarily, we show that switching times may constitute a good predictor for the computation reliability, indicating how often an input signal must be reiterated. By characterizing switching times between two saddles in conjunction with the reliability of a computation, our results provide a first step beyond the coding of input signal identities toward a complementary coding for the intensity of those signals. The results offer insights on how future heteroclinic computing systems may operate under natural, and thus noisy, conditions.

New Quantum Diffusion Monte Carlo Method for strong field time dependent problems

NASA Astrophysics Data System (ADS)

Kalinski, Matt

2017-04-01

We have recently formulated the Quantum Diffusion Quantum Monte Carlo (QDMC) method for the solution of the time-dependent Schrödinger equation when it is equivalent to the reaction-diffusion system coupled by the highly nonlinear potentials of the type of Shay. Here we formulate a new Time Dependent QDMC method free of the nonlinearities described by the constant stochastic process of the coupled diffusion with transmutation. As before two kinds of diffusing particles (color walkers) are considered but which can further also transmute one into the other. Each of the species undergoes the hypothetical Einstein random walk progression with transmutation. The progressed particles transmute into the particles of the other kind before contributing to or annihilating the other particles density. This fully emulates the Time Dependent Schrödinger equation for any number of quantum particles. The negative sign of the real and the imaginary parts of the wave function is handled by the ``spinor'' densities carrying the sign as the degree of freedom. We apply the method for the exact time-dependent observation of our discovered two-electron Langmuir configurations in the magnetic and circularly polarized fields.

Spinor Field Nonlinearity and Space-Time Geometry

NASA Astrophysics Data System (ADS)

Saha, Bijan

2018-03-01

Within the scope of Bianchi type VI,VI0,V, III, I, LRSBI and FRW cosmological models we have studied the role of nonlinear spinor field on the evolution of the Universe and the spinor field itself. It was found that due to the presence of non-trivial non-diagonal components of the energy-momentum tensor of the spinor field in the anisotropic space-time, there occur some severe restrictions both on the metric functions and on the components of the spinor field. In this report we have considered a polynomial nonlinearity which is a function of invariants constructed from the bilinear spinor forms. It is found that in case of a Bianchi type-VI space-time, depending of the sign of self-coupling constants, the model allows either late time acceleration or oscillatory mode of evolution. In case of a Bianchi VI 0 type space-time due to the specific behavior of the spinor field we have two different scenarios. In one case the invariants constructed from bilinear spinor forms become trivial, thus giving rise to a massless and linear spinor field Lagrangian. This case is equivalent to the vacuum solution of the Bianchi VI 0 type space-time. The second case allows non-vanishing massive and nonlinear terms and depending on the sign of coupling constants gives rise to accelerating mode of expansion or the one that after obtaining some maximum value contracts and ends in big crunch, consequently generating space-time singularity. In case of a Bianchi type-V model there occur two possibilities. In one case we found that the metric functions are similar to each other. In this case the Universe expands with acceleration if the self-coupling constant is taken to be a positive one, whereas a negative coupling constant gives rise to a cyclic or periodic solution. In the second case the spinor mass and the spinor field nonlinearity vanish and the Universe expands linearly in time. In case of a Bianchi type-III model the space-time remains locally rotationally symmetric all the time, though the isotropy of space-time can be attained for a large proportionality constant. As far as evolution is concerned, depending on the sign of coupling constant the model allows both accelerated and oscillatory mode of expansion. A negative coupling constant leads to an oscillatory mode of expansion, whereas a positive coupling constant generates expanding Universe with late time acceleration. Both deceleration parameter and EoS parameter in this case vary with time and are in agreement with modern concept of space-time evolution. In case of a Bianchi type-I space-time the non-diagonal components lead to three different possibilities. In case of a full BI space-time we find that the spinor field nonlinearity and the massive term vanish, hence the spinor field Lagrangian becomes massless and linear. In two other cases the space-time evolves into either LRSBI or FRW Universe. If we consider a locally rotationally symmetric BI( LRSBI) model, neither the mass term nor the spinor field nonlinearity vanishes. In this case depending on the sign of coupling constant we have either late time accelerated mode of expansion or oscillatory mode of evolution. In this case for an expanding Universe we have asymptotical isotropization. Finally, in case of a FRW model neither the mass term nor the spinor field nonlinearity vanishes. Like in LRSBI case we have either late time acceleration or cyclic mode of evolution. These findings allow us to conclude that the spinor field is very sensitive to the gravitational one.

Photoionization of Li2

NASA Astrophysics Data System (ADS)

Li, Y.; Pindzola, M. S.; Ballance, C. P.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Li2 are calculated using a time-dependent close-coupling method. The correlation between the outer two electrons of Li2 is obtained by relaxation of the close-coupled equations in imaginary time. Propagation of the close-coupled equations in real time yields single and double photoionization cross sections for Li2. The two active electron cross sections are compared with one active electron distorted-wave and close-coupling results for both Li and Li2. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Mechanical behavior of bioactive composite cements consisting of resin and glass-ceramic powder in a simulated body fluid: effect of silane coupling agent.

PubMed

Miyata, N; Matsuura, W; Kokubo, T; Nakamura, T

2004-09-01

Time-dependent strength behavior was investigated for bisphenol-a-glycidyl methacrylate/triethylene glycol dimethacrylate (Bis-GMA/TEGDMA) resin cements combined with glass-ceramic A-W filler treated with various kinds of silane coupling agents. The fracture strength of the composite resin cements was measured by three-point bending as a function of stressing rate in a simulated body fluid (SBF), and thereby the stress-corrosion susceptibility constant was evaluated. The fracture strength was found to depend on the kind of coupling agent used. For the present Bis-GMA/TEGDMA resin, the silane coupling agents without hydrophilic amine groups can be used to obtain good adhesion between resin and A-W filler owing to their nature of co-polymerizing with the resin. On the other hand, all the composite resin cements showed nearly the same degree of stress-corrosion susceptibility whether the A-W fillers were treated or untreated with silane coupling agents. This means that the stress-corrosion susceptibility of the present composite cements is predominantly affected by that of the matrix resin. Thus, the microcrack formation and growth at the resin matrix near particle - resin interface were thought to determine overall time-dependent strength behavior of the composite cements.

Observations of Time-Dependent Behavior in the Two-Layer Rayleigh-Benard System

NASA Technical Reports Server (NTRS)

Andereck, C. David; Colovas, Peter W.; Degen, Michael M.

1996-01-01

In this paper we present results from experiments with a system consisting of two immiscible fluid layers in rectangular and annular geometries, driven by a vertical temperature gradient. Time-dependent variations in the type of coupling observed between the two layers are described and characterized.

Time-dependent real space RG on the spin-1/2 XXZ chain

NASA Astrophysics Data System (ADS)

Mason, Peter; Zagoskin, Alexandre; Betouras, Joseph

In order to measure the spread of information in a system of interacting fermions with nearest-neighbour couplings and strong bond disorder, one could utilise a dynamical real space renormalisation group (RG) approach on the spin-1/2 XXZ chain. Under such a procedure, a many-body localised state is established as an infinite randomness fixed point and the entropy scales with time as log(log(t)). One interesting further question that results from such a study is the case when the Hamiltonian explicitly depends on time. Here we answer this question by considering a dynamical renormalisation group treatment on the strongly disordered random spin-1/2 XXZ chain where the couplings are time-dependent and chosen to reflect a (slow) evolution of the governing Hamiltonian. Under the condition that the renormalisation process occurs at fixed time, a set of coupled second order, nonlinear PDE's can be written down in terms of the random distributions of the bonds and fields. Solution of these flow equations at the relevant critical fixed points leads us to establish the dynamics of the flow as we sweep through the quantum critical point of the Hamiltonian. We will present these critical flows as well as discussing the issues of duality, entropy and many-body localisation.

Time dependence of breakdown in a global fiber-bundle model with continuous damage.

PubMed

Moral, L; Moreno, Y; Gómez, J B; Pacheco, A F

2001-06-01

A time-dependent global fiber-bundle model of fracture with continuous damage is formulated in terms of a set of coupled nonlinear differential equations. A first integral of this set is analytically obtained. The time evolution of the system is studied by applying a discrete probabilistic method. Several results are discussed emphasizing their differences with the standard time-dependent model. The results obtained show that with this simple model a variety of experimental observations can be qualitatively reproduced.

Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shalashilin, Dmitrii V.; Burghardt, Irene

2008-08-28

In this article, two coherent-state based methods of quantum propagation, namely, coupled coherent states (CCS) and Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH), are put on the same formal footing, using a derivation from a variational principle in Lagrangian form. By this approach, oscillations of the classical-like Gaussian parameters and oscillations of the quantum amplitudes are formally treated in an identical fashion. We also suggest a new approach denoted here as coupled coherent states trajectories (CCST), which completes the family of Gaussian-based methods. Using the same formalism for all related techniques allows their systematization and a straightforward comparison of their mathematical structuremore » and cost.« less

Robust Adaptive Synchronization of Ring Configured Uncertain Chaotic FitzHugh–Nagumo Neurons under Direction-Dependent Coupling

PubMed Central

Iqbal, Muhammad; Rehan, Muhammad; Hong, Keum-Shik

2018-01-01

This paper exploits the dynamical modeling, behavior analysis, and synchronization of a network of four different FitzHugh–Nagumo (FHN) neurons with unknown parameters linked in a ring configuration under direction-dependent coupling. The main purpose is to investigate a robust adaptive control law for the synchronization of uncertain and perturbed neurons, communicating in a medium of bidirectional coupling. The neurons are assumed to be different and interconnected in a ring structure. The strength of the gap junctions is taken to be different for each link in the network, owing to the inter-neuronal coupling medium properties. Robust adaptive control mechanism based on Lyapunov stability analysis is employed and theoretical criteria are derived to realize the synchronization of the network of four FHN neurons in a ring form with unknown parameters under direction-dependent coupling and disturbances. The proposed scheme for synchronization of dissimilar neurons, under external electrical stimuli, coupled in a ring communication topology, having all parameters unknown, and subject to directional coupling medium and perturbations, is addressed for the first time as per our knowledge. To demonstrate the efficacy of the proposed strategy, simulation results are provided. PMID:29535622

Time evolution of the Lamb shift.

PubMed

Wang, Da-Wei; Li, Zheng-Hong; Wang, Li-Gang; Zhu, Shi-Yao; Zubairy, M Suhail

2010-09-01

The time evolution of the Lamb shift that accompanies the real photon emission is studied for the first time (to our knowledge). The investigation of the explicit time dependence of the Lamb shift becomes possible because the self-energy of the free electron, which is divergent, is subtracted from the Hamiltonian after a unitary transformation. The Lamb shift can then be separated into two parts: one is the time-independent shift due to the virtual photon exchange, and the other is the time-dependent shift due to the real photon emission. The time evolution depends on the nature of the coupling spectrum of the reservoir.

Electron phonon couplings in 2D perovskite probed by ultrafast photoinduced absorption spectroscopy

NASA Astrophysics Data System (ADS)

Huynh, Uyen; Ni, Limeng; Rao, Akshay

We use the time-resolved photoinduced absorption (PIA) spectroscopy with 20fs time resolution to investigate the electron phonon coupling in the self-assembled hybrid organic layered perovskite, the hexyl ammonium lead iodide compound (C6H13NH3)2 (PbI4) . The coupling results in the broadening and asymmetry of its temperature-dependence photoluminescence spectra. The exact time scale of this coupling, however, wasn't reported experimentally. Here we show that using an ultrashort excitation pulse allows us to resolve from PIA kinetics the oscillation of coherent longitudinal optical phonons that relaxes and self-traps electrons to lower energy states within 200 fs. The 200fs relaxation time is equivalent to a coupling strength of 40meV. Two coupled phonon modes are also identified as about 100 cm-1 and 300 cm-1 from the FFT spectrum of the PIA kinetics. The lower energy mode is consistent with previous reports and Raman spectrum but the higher energy one hasn't been observed before.

Effect of temperature- and frequency-dependent dynamic properties of rail pads on high-speed vehicle-track coupled vibrations

NASA Astrophysics Data System (ADS)

Wei, Kai; Wang, Feng; Wang, Ping; Liu, Zi-xuan; Zhang, Pan

2017-03-01

The soft under baseplate pad of WJ-8 rail fastener frequently used in China's high-speed railways was taken as the study subject, and a laboratory test was performed to measure its temperature and frequency-dependent dynamic performance at 0.3 Hz and at -60°C to 20°C with intervals of 2.5°C. Its higher frequency-dependent results at different temperatures were then further predicted based on the time-temperature superposition (TTS) and Williams-Landel-Ferry (WLF) formula. The fractional derivative Kelvin-Voigt (FDKV) model was used to represent the temperature- and frequency-dependent dynamic properties of the tested rail pad. By means of the FDKV model for rail pads and vehicle-track coupled dynamic theory, high-speed vehicle-track coupled vibrations due to temperature- and frequency-dependent dynamic properties of rail pads was investigated. Finally, further combining with the measured frequency-dependent dynamic performance of vehicle's rubber primary suspension, the high-speed vehicle-track coupled vibration responses were discussed. It is found that the storage stiffness and loss factor of the tested rail pad are sensitive to low temperatures or high frequencies. The proposed FDKV model for the frequency-dependent storage stiffness and loss factors of the tested rail pad can basically meet the fitting precision, especially at ordinary temperatures. The numerical simulation results indicate that the vertical vibration levels of high-speed vehicle-track coupled systems calculated with the FDKV model for rail pads in time domain are higher than those calculated with the ordinary Kelvin-Voigt (KV) model for rail pads. Additionally, the temperature- and frequency-dependent dynamic properties of the tested rail pads would alter the vertical vibration acceleration levels (VALs) of the car body and bogie in 1/3 octave frequencies above 31.5 Hz, especially enlarge the vertical VALs of the wheel set and rail in 1/3 octave frequencies of 31.5-100 Hz and above 315 Hz, which are the dominant frequencies of ground vibration acceleration and rolling noise (or bridge noise) caused by high-speed railways respectively. Since the fractional derivative value of the adopted rubber primary suspension, unlike the tested rail pad, is very close to 1, its frequency-dependent dynamic performance has little effect on high-speed vehicle-track coupled vibration responses.

Three-dimensional fully-coupled electrical and thermal transport model of dynamic switching in oxide memristors

DOE PAGES

Gao, Xujiao; Mamaluy, Denis; Mickel, Patrick R.; ...

2015-09-08

In this paper, we present a fully-coupled electrical and thermal transport model for oxide memristors that solves simultaneously the time-dependent continuity equations for all relevant carriers, together with the time-dependent heat equation including Joule heating sources. The model captures all the important processes that drive memristive switching and is applicable to simulate switching behavior in a wide range of oxide memristors. The model is applied to simulate the ON switching in a 3D filamentary TaOx memristor. Simulation results show that, for uniform vacancy density in the OFF state, vacancies fill in the conduction filament till saturation, and then fill outmore » a gap formed in the Ta electrode during ON switching; furthermore, ON-switching time strongly depends on applied voltage and the ON-to-OFF current ratio is sensitive to the filament vacancy density in the OFF state.« less

Negative tunnel magnetoresistance and differential conductance in transport through double quantum dots

NASA Astrophysics Data System (ADS)

Trocha, Piotr; Weymann, Ireneusz; Barnaś, Józef

2009-10-01

Spin-dependent transport through two coupled single-level quantum dots weakly connected to ferromagnetic leads with collinear magnetizations is considered theoretically. Transport characteristics, including the current, linear and nonlinear conductances, and tunnel magnetoresistance are calculated using the real-time diagrammatic technique in the parallel, serial, and intermediate geometries. The effects due to virtual tunneling processes between the two dots via the leads, associated with off-diagonal coupling matrix elements, are also considered. Negative differential conductance and negative tunnel magnetoresistance have been found in the case of serial and intermediate geometries, while no such behavior has been observed for double quantum dots coupled in parallel. It is also shown that transport characteristics strongly depend on the magnitude of the off-diagonal coupling matrix elements.

Time-dependent wave-packet quantum dynamics study of the Ne + D2(+) (v0 = 0-2, j0 = 0) → NeD(+) + D reaction: including the coriolis coupling.

PubMed

Yao, Cui-Xia; Zhang, Pei-Yu

2014-07-10

The dynamics of the Ne + D2(+) (v0 = 0-2, j0 = 0) → NeD(+) + D reaction has been investigated in detail by using an accurate time-dependent wave-packet method on the ground 1(2)A' potential energy surface. Comparisons between the Coriolis coupling results and the centrifugal-sudden ones reveal that Coriolis coupling effect can influence reaction dynamics of the NeD2(+) system. Integral cross sections have been evaluated for the Ne + D2(+) reaction and its isotopic variant Ne + H2(+), and a considerable intermolecular isotopic effect has been found. Also obvious is the great enhancement of the reactivity due to the reagent vibrational excitation. Besides, a comparison with previous theoretical results is also presented and discussed.

Time dependent chemistry in dense molecular clouds. I - Grain surface reactions, gas/grain interactions and infrared spectroscopy

NASA Technical Reports Server (NTRS)

Dhendecourt, L. B.; Allamandola, L. J.; Greenberg, J. M.

1985-01-01

For the fist time, a time-dependent model is described which includes the role of grains in the production of molecules in dense clouds including ion-molecule gas phase chemistry. The approach provides information regarding the coupling between the two phases. Although the coupling between the two chemistries is extremely strong, the two domains maintain their own identities. While H2O, CH4, and NH3 are made efficiently, with a high production rate on grains and released back to the gas phase, the gas phase is essentially responsible for the formation of CO, a very stable molecule which may or may not react on grains with atomic oxygen and may or may not form CO2.

Ultrafast light-induced symmetry changes in single BaTiO 3 nanowires

DOE PAGES

Kuo, Yi -Hong; Nah, Sanghee; He, Kai; ...

2017-01-23

The coupling of light to nanoscale ferroelectric materials enables novel means of controlling their coupled degrees of freedom and engineering new functionality. Here we present femtosecond time-resolution nonlinear-optical measurements of light-induced dynamics within single ferroelectric barium titanate nanowires. By analyzing the time-dependent and polarization-dependent second harmonic intensity generated by the nanowire, we identify its crystallographic orientation and then make use of this information in order to probe its dynamic structural response and change in symmetry. Here, we show that photo-excitation leads to ultrafast, non-uniform modulations in the second order nonlinear susceptibility tensor, indicative of changes in the local symmetry ofmore » the nanostructure occurring on sub-picosecond time-scales.« less

Comparison of parameterized nitric acid rainout rates using a coupled stochastic-photochemical tropospheric model

NASA Technical Reports Server (NTRS)

Stewart, Richard W.; Thompson, Anne M.; Owens, Melody A.; Herwehe, Jerold A.

1989-01-01

A major tropospheric loss of soluble species such as nitric acid results from scavenging by water droplets. Several theoretical formulations have been advanced which relate an effective time-independent loss rate for soluble species to statistical properties of precipitation such as the wet fraction and length of a precipitation cycle. In this paper, various 'effective' loss rates that have been proposed are compared with the results of detailed time-dependent model calculations carried out over a seasonal time scale. The model is a stochastic precipitation model coupled to a tropospheric photochemical model. The results of numerous time-dependent seasonal model runs are used to derive numerical values for the nitric acid residence time for several assumed sets of preciptation statistics. These values are then compared with the results obtained by utilizing theoretical 'effective' loss rates in time-independent models.

Femtosecond buildup of phonon-plasmon coupling in photoexcited InP observed by ultrabroadband THz probing

NASA Astrophysics Data System (ADS)

Huber, Rupert; Kübler, Carl; Tübel, Stefan; Leitenstorfer, Alfred

2006-02-01

We study the ultrafast transition of a pure longitudinal optical phonon resonance to a coupled phonon-plasmon system. Following 10-fs photoexcitation of intrinsic indium phosphide, ultrabroadband THz opto-electronics monitors the buildup of coherent beats of the emerging hybrid modes directly in the time domain with sub-cycle resolution. Mutual repulsion and redistribution of the oscillator strength of the interacting phonons and plasmons are seen to emerge on a delayed femtosecond time scale. Both branches of the mixed modes are monitored for various excitation densities N. We observe a pronounced anticrossing of the coupled resonances as a function of N. The characteristic formation time for phonon-plasmon coupling exhibits density dependence. The time is approximately set by one oscillation cycle of the upper branch of the mixed modes.

Quasinormal modes of scale dependent black holes in (1 +2 )-dimensional Einstein-power-Maxwell theory

NASA Astrophysics Data System (ADS)

Rincón, Ángel; Panotopoulos, Grigoris

2018-01-01

We study for the first time the stability against scalar perturbations, and we compute the spectrum of quasinormal modes of three-dimensional charged black holes in Einstein-power-Maxwell nonlinear electrodynamics assuming running couplings. Adopting the sixth order Wentzel-Kramers-Brillouin (WKB) approximation we investigate how the running of the couplings change the spectrum of the classical theory. Our results show that all modes corresponding to nonvanishing angular momentum are unstable both in the classical theory and with the running of the couplings, while the fundamental mode can be stable or unstable depending on the running parameter and the electric charge.

Closed-form Static Analysis with Inertia Relief and Displacement-Dependent Loads Using a MSC/NASTRAN DMAP Alter

NASA Technical Reports Server (NTRS)

Barnett, Alan R.; Widrick, Timothy W.; Ludwiczak, Damian R.

1995-01-01

Solving for the displacements of free-free coupled systems acted upon by static loads is commonly performed throughout the aerospace industry. Many times, these problems are solved using static analysis with inertia relief. This solution technique allows for a free-free static analysis by balancing the applied loads with inertia loads generated by the applied loads. For some engineering applications, the displacements of the free-free coupled system induce additional static loads. Hence, the applied loads are equal to the original loads plus displacement-dependent loads. Solving for the final displacements of such systems is commonly performed using iterative solution techniques. Unfortunately, these techniques can be time-consuming and labor-intensive. Since the coupled system equations for free-free systems with displacement-dependent loads can be written in closed-form, it is advantageous to solve for the displacements in this manner. Implementing closed-form equations in static analysis with inertia relief is analogous to implementing transfer functions in dynamic analysis. Using a MSC/NASTRAN DMAP Alter, displacement-dependent loads have been included in static analysis with inertia relief. Such an Alter has been used successfully to solve efficiently a common aerospace problem typically solved using an iterative technique.

Crustal deformation along the San Andreas, California

NASA Technical Reports Server (NTRS)

Li, Victor C.

1992-01-01

The goal is to achieve a better understanding of the regional and local deformation and crustal straining processes in western North America, particularly the effects of the San Andreas and nearby faults on the spatial and temporal crustal deformation behavior. Construction of theoretical models based on the mechanics of coupled elastic plate, viscoelastic foundation and large scale crack mechanics provide a rational basis for the interpretation of seismic and aseismic anomalies and expedite efforts in forecasting the stability of plate boundary deformation. Special focus is placed on the three dimensional time dependent surface deformation due to localized slippage in a elastic layer coupled to a visco-elastic substrate. The numerical analysis is based on a 3-D boundary element technique. Extension to visco-elastic coupling demands the derivation of 3-D time dependent Green's function. This method was applied to analyze the viscoelastic surface displacements due to a dislocated embedded patch. Surface uplift as a function of time and position are obtained. Comparisons between surface uplift for long and short dislocated patches are made.

Modeling ultrafast solvated electronic dynamics using time-dependent density functional theory and polarizable continuum model.

PubMed

Liang, Wenkel; Chapman, Craig T; Ding, Feizhi; Li, Xiaosong

2012-03-01

A first-principles solvated electronic dynamics method is introduced. Solvent electronic degrees of freedom are coupled to the time-dependent electronic density of a solute molecule by means of the implicit reaction field method, and the entire electronic system is propagated in time. This real-time time-dependent approach, incorporating the polarizable continuum solvation model, is shown to be very effective in describing the dynamical solvation effect in the charge transfer process and yields a consistent absorption spectrum in comparison to the conventional linear response results in solution. © 2012 American Chemical Society

Multiscale Electrodynamics/Time-Dependent Density Functional Theory Modeling of Coupled Plasmon/Molecule Excitations

NASA Astrophysics Data System (ADS)

Lopata, Kenneth; Smith, Holden

The coupled dynamics of molecular chromophores and plasmons at surface of metal nanostructures are important for a range of processes such as molecular sensing, light harvesting, and near-field photochemistry. Modeling these dynamics from first principles, however, is challenging, as the large system sizes precludes a purely quantum mechanical treatment. In this talk I will present an approach based on propagating the plasmonic currents and fields using electrodynamics (finite-difference time-domain) with each chromophore described using an isolated quantum sub-region embedded in the overall classical background. This approach can be readily parallelized over these quantum regions, which enables large multiscale simulations of tens or hundreds of dyes, each of which is described individually by real-time time-dependent density functional theory. Application to gold nanoparticles coated with malachite green and rhodamine 6G monolayers shows good agreement with experimentally measured coupling spectra, including the polariton peaks, as well as the plasmon and molecular depletions. This research was supported by the Louisiana Board of Regents Research Competitiveness Subprogram under Contract Number LEQSF(2014-17)-RD-A-0.

Equilibrium finite-frequency noise of an interacting mesoscopic capacitor studied in time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-03-01

We calculate the frequency-dependent equilibrium noise of a mesoscopic capacitor in time-dependent density functional theory (TDDFT). The capacitor is modeled as a single-level quantum dot with on-site Coulomb interaction and tunnel coupling to a nearby reservoir. The noise spectra are derived from linear-response conductances via the fluctuation-dissipation theorem. Thereby, we analyze the performance of a recently derived exchange-correlation potential with time-nonlocal density dependence in the finite-frequency linear-response regime. We compare our TDDFT noise spectra with real-time perturbation theory and find excellent agreement for noise frequencies below the reservoir temperature.

Interface roughness mediated phonon relaxation rates in Si quantum dots.

NASA Astrophysics Data System (ADS)

Ferdous, Rifat; Hsueh, Yuling; Klimeck, Gerhard; Rahman, Rajib

2015-03-01

Si QDs are promising candidates for solid-state quantum computing due to long spin coherence times. However, the valley degeneracy in Si adds an additional degree of freedom to the electronic structure. Although the valley and orbital indices can be uniquely identified in an ideal Si QD, interface roughness mixes valley and orbital states in realistic dots. Such valley-orbit coupling can strongly influence T1 times in Si QDs. Recent experimental measurements of various relaxation rates differ from previous predictions of phonon relaxation in ideal Si QDs. To understand how roughness affects different relaxation rates, for example spin relaxation due to spin-valley coupling, which is a byproduct of spin-orbit and valley-orbit coupling, we need to understand the effect of valley-orbit coupling on valley relaxation first. Using a full-band atomistic tight-binding description for both the system's electron and electron-phonon hamiltonian, we analyze the effect of atomic-scale interface disorder on phonon induced valley relaxation and spin relaxation in a Si QD. We find that, the valley splitting dependence of valley relaxation rate governs the magnetic field dependence of spin relaxation rate. Our results help understand experimentally measured relaxation times.

Emotion-Work Performance among Dual-Earner Couples: Testing Four Theoretical Perspectives

ERIC Educational Resources Information Center

Minnotte, Krista Lynn; Stevens, Daphne Pedersen; Minnotte, Michael C.; Kiger, Gary

2007-01-01

This study compares four theories of domestic labor in their ability to predict relative emotion-work performance among dual-earner couples. Specifically, the authors investigate the effects of gender ideology, time availability, relative resources, and crossover factors on the dependent variable of relative emotion-work performance using…

Dynamic acousto-optic control of a strongly coupled photonic molecule

PubMed Central

Kapfinger, Stephan; Reichert, Thorsten; Lichtmannecker, Stefan; Müller, Kai; Finley, Jonathan J.; Wixforth, Achim; Kaniber, Michael; Krenner, Hubert J.

2015-01-01

Strongly confined photonic modes can couple to quantum emitters and mechanical excitations. To harness the full potential in quantum photonic circuits, interactions between different constituents have to be precisely and dynamically controlled. Here, a prototypical coupled element, a photonic molecule defined in a photonic crystal membrane, is controlled by a radio frequency surface acoustic wave. The sound wave is tailored to deliberately switch on and off the bond of the photonic molecule on sub-nanosecond timescales. In time-resolved experiments, the acousto-optically controllable coupling is directly observed as clear anticrossings between the two nanophotonic modes. The coupling strength is determined directly from the experimental data. Both the time dependence of the tuning and the inter-cavity coupling strength are found to be in excellent agreement with numerical calculations. The demonstrated mechanical technique can be directly applied for dynamic quantum gate operations in state-of-the-art-coupled nanophotonic, quantum cavity electrodynamic and optomechanical systems. PMID:26436203

Micro-Macro Coupling in Plasma Self-Organization Processes during Island Coalescence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wan Weigang; Lapenta, Giovanni; Centrum voor Plasma-Astrofysica, Departement Wiskunde, Katholieke Universiteit Leuven, Celestijnenlaan 200B, 3001 Leuven

The collisionless island coalescence process is studied with particle-in-cell simulations, as an internal-driven magnetic self-organization scenario. The macroscopic relaxation time, corresponding to the total time required for the coalescence to complete, is found to depend crucially on the scale of the system. For small-scale systems, where the macroscopic scales and the dissipation scales are more tightly coupled, the relaxation time is independent of the strength of the internal driving force: the small-scale processes of magnetic reconnection adjust to the amount of the initial magnetic flux to be reconnected, indicating that at the microscopic scales reconnection is enslaved by the macroscopicmore » drive. However, for large-scale systems, where the micro-macro scale separation is larger, the relaxation time becomes dependent on the driving force.« less

FAST TRACK COMMUNICATION: Gyration mode splitting in magnetostatically coupled magnetic vortices in an array

NASA Astrophysics Data System (ADS)

Barman, Anjan; Barman, Saswati; Kimura, T.; Fukuma, Y.; Otani, Y.

2010-10-01

We present the experimental observation of gyration mode splitting by the time-resolved magneto-optical Kerr effect in an array consisting of magnetostatically coupled Ni81Fe19 discs of 1 µm diameter, 50 nm thickness and inter-disc separations varying between 150 and 270 nm. A splitting of the vortex core gyration mode is observed when the inter-disc separation is 200 nm or less and the splitting is controllable by a bias magnetic field. The observed mode splitting is interpreted by micromagnetic simulations as the normal modes of the vortex cores analogous to the coupled classical oscillators. The splitting depends upon the strength of the inter-disc magnetostatic coupling mediated by magnetic side charges, which depends strongly on the magnetic ground states of the samples.

Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yu, E-mail: zhy@yangtze.hku.hk; Chen, GuanHua, E-mail: ghc@everest.hku.hk; Yam, ChiYung

2015-04-28

A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can bemore » suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.« less

Nuclear magnetic resonance spin-spin coupling constants from coupled perturbed density functional theory

NASA Astrophysics Data System (ADS)

Sychrovský, Vladimír; Gräfenstein, Jürgen; Cremer, Dieter

2000-09-01

For the first time, a complete implementation of coupled perturbed density functional theory (CPDFT) for the calculation of NMR spin-spin coupling constants (SSCCs) with pure and hybrid DFT is presented. By applying this method to several hydrides, hydrocarbons, and molecules with multiple bonds, the performance of DFT for the calculation of SSCCs is analyzed in dependence of the XC functional used. The importance of electron correlation effects is demonstrated and it is shown that the hybrid functional B3LYP leads to the best accuracy of calculated SSCCs. Also, CPDFT is compared with sum-over-states (SOS) DFT where it turns out that the former method is superior to the latter because it explicitly considers the dependence of the Kohn-Sham operator on the perturbed orbitals in DFT when calculating SSCCs. The four different coupling mechanisms contributing to the SSCC are discussed in connection with the electronic structure of the molecule.

Computational fluid dynamics and frequency-dependent finite-difference time-domain method coupling for the interaction between microwaves and plasma in rocket plumes

NASA Astrophysics Data System (ADS)

Kinefuchi, K.; Funaki, I.; Shimada, T.; Abe, T.

2012-10-01

Under certain conditions during rocket flights, ionized exhaust plumes from solid rocket motors may interfere with radio frequency transmissions. To understand the relevant physical processes involved in this phenomenon and establish a prediction process for in-flight attenuation levels, we attempted to measure microwave attenuation caused by rocket exhaust plumes in a sea-level static firing test for a full-scale solid propellant rocket motor. The microwave attenuation level was calculated by a coupling simulation of the inviscid-frozen-flow computational fluid dynamics of an exhaust plume and detailed analysis of microwave transmissions by applying a frequency-dependent finite-difference time-domain method with the Drude dispersion model. The calculated microwave attenuation level agreed well with the experimental results, except in the case of interference downstream the Mach disk in the exhaust plume. It was concluded that the coupling estimation method based on the physics of the frozen plasma flow with Drude dispersion would be suitable for actual flight conditions, although the mixing and afterburning in the plume should be considered depending on the flow condition.

Spin-state transfer in laterally coupled quantum-dot chains with disorders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang Song; Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei 230026; Bayat, Abolfazl

2010-08-15

Quantum dot arrays are a promising medium for transferring quantum information between two distant points without resorting to mobile qubits. Here we study the two most common disorders, namely hyperfine interaction and exchange coupling fluctuations, in quantum dot arrays and their effects on quantum communication through these chains. Our results show that the hyperfine interaction is more destructive than the exchange coupling fluctuations. The average optimal time for communication is not affected by any disorder in the system and our simulations show that antiferromagnetic chains are much more resistive than the ferromagnetic ones against both kind of disorders. Even whenmore » time modulation of a coupling and optimal control is employed to improve the transmission, the antiferromagnetic chain performs much better. We have assumed the quasistatic approximation for hyperfine interaction and time-dependent fluctuations in the exchange couplings. Particularly for studying exchange coupling fluctuations we have considered the static disorder, white noise, and 1/f noise.« less

Conservative tightly-coupled simulations of stochastic multiscale systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taverniers, Søren; Pigarov, Alexander Y.; Tartakovsky, Daniel M., E-mail: dmt@ucsd.edu

2016-05-15

Multiphysics problems often involve components whose macroscopic dynamics is driven by microscopic random fluctuations. The fidelity of simulations of such systems depends on their ability to propagate these random fluctuations throughout a computational domain, including subdomains represented by deterministic solvers. When the constituent processes take place in nonoverlapping subdomains, system behavior can be modeled via a domain-decomposition approach that couples separate components at the interfaces between these subdomains. Its coupling algorithm has to maintain a stable and efficient numerical time integration even at high noise strength. We propose a conservative domain-decomposition algorithm in which tight coupling is achieved by employingmore » either Picard's or Newton's iterative method. Coupled diffusion equations, one of which has a Gaussian white-noise source term, provide a computational testbed for analysis of these two coupling strategies. Fully-converged (“implicit”) coupling with Newton's method typically outperforms its Picard counterpart, especially at high noise levels. This is because the number of Newton iterations scales linearly with the amplitude of the Gaussian noise, while the number of Picard iterations can scale superlinearly. At large time intervals between two subsequent inter-solver communications, the solution error for single-iteration (“explicit”) Picard's coupling can be several orders of magnitude higher than that for implicit coupling. Increasing the explicit coupling's communication frequency reduces this difference, but the resulting increase in computational cost can make it less efficient than implicit coupling at similar levels of solution error, depending on the communication frequency of the latter and the noise strength. This trend carries over into higher dimensions, although at high noise strength explicit coupling may be the only computationally viable option.« less

Using lagged dependence to identify (de)coupled surface and subsurface soil moisture values

NASA Astrophysics Data System (ADS)

Carranza, Coleen D. U.; van der Ploeg, Martine J.; Torfs, Paul J. J. F.

2018-04-01

Recent advances in radar remote sensing popularized the mapping of surface soil moisture at different spatial scales. Surface soil moisture measurements are used in combination with hydrological models to determine subsurface soil moisture values. However, variability of soil moisture across the soil column is important for estimating depth-integrated values, as decoupling between surface and subsurface can occur. In this study, we employ new methods to investigate the occurrence of (de)coupling between surface and subsurface soil moisture. Using time series datasets, lagged dependence was incorporated in assessing (de)coupling with the idea that surface soil moisture conditions will be reflected at the subsurface after a certain delay. The main approach involves the application of a distributed-lag nonlinear model (DLNM) to simultaneously represent both the functional relation and the lag structure in the time series. The results of an exploratory analysis using residuals from a fitted loess function serve as a posteriori information to determine (de)coupled values. Both methods allow for a range of (de)coupled soil moisture values to be quantified. Results provide new insights into the decoupled range as its occurrence among the sites investigated is not limited to dry conditions.

Emergence of Slow Collective Oscillations in Neural Networks with Spike-Timing Dependent Plasticity

NASA Astrophysics Data System (ADS)

Mikkelsen, Kaare; Imparato, Alberto; Torcini, Alessandro

2013-05-01

The collective dynamics of excitatory pulse coupled neurons with spike-timing dependent plasticity is studied. The introduction of spike-timing dependent plasticity induces persistent irregular oscillations between strongly and weakly synchronized states, reminiscent of brain activity during slow-wave sleep. We explain the oscillations by a mechanism, the Sisyphus Effect, caused by a continuous feedback between the synaptic adjustments and the coherence in the neural firing. Due to this effect, the synaptic weights have oscillating equilibrium values, and this prevents the system from relaxing into a stationary macroscopic state.

Effect of the fissile bead's and thermocouple wires' sizes on the response time of a fission couple.

PubMed

Liang, Wenfeng; Lu, Yi; Li, Meng; Fan, Xiaoqiang; Lu, Wei

2014-05-01

The fission couple is proposed as a fast response miniature neutron detector in the measurement of time dependent energy depositions within the fissile material based on theoretical analysis, but the response time of a fission couple is relatively slow in practice. The time lag originated from heat transfer process was demonstrated to be the dominating factor by theoretical simulations and experimental verification in this paper. The response of a fission couple as a function of the bead size and the thermocouple wires' sizes are simulated using ANSYS workbench. The decrease of wires' diameter results in the decrease of response time, and the increase of bead's diameter leads to a slight increase of response time. During a pulse heating transient in the fuel of Chinese Fast Burst Reactor II with a FWHM of 181 μs, the time lag originated from heat transfer process is about tens of microseconds for the peaks of the change rate of temperature, and is of the order of milliseconds to achieve 85% of the temperature rise for a typical fission couple with a Φ 1 mm fissile bead and two Φ 0.05 mm thermocouple wires. The results obtained provide foundation for the optimization of fission couples.

Effect of the fissile bead's and thermocouple wires’ sizes on the response time of a fission couple

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liang, Wenfeng, E-mail: liang-wen-feng@163.com; Lu, Yi; Li, Meng

The fission couple is proposed as a fast response miniature neutron detector in the measurement of time dependent energy depositions within the fissile material based on theoretical analysis, but the response time of a fission couple is relatively slow in practice. The time lag originated from heat transfer process was demonstrated to be the dominating factor by theoretical simulations and experimental verification in this paper. The response of a fission couple as a function of the bead size and the thermocouple wires’ sizes are simulated using ANSYS workbench. The decrease of wires’ diameter results in the decrease of response time,more » and the increase of bead's diameter leads to a slight increase of response time. During a pulse heating transient in the fuel of Chinese Fast Burst Reactor II with a FWHM of 181μs, the time lag originated from heat transfer process is about tens of microseconds for the peaks of the change rate of temperature, and is of the order of milliseconds to achieve 85% of the temperature rise for a typical fission couple with a Φ 1 mm fissile bead and two Φ 0.05 mm thermocouple wires. The results obtained provide foundation for the optimization of fission couples.« less

Application of Hermitian time-dependent coupled-cluster response Ansätze of second order to excitation energies and frequency-dependent dipole polarizabilities

NASA Astrophysics Data System (ADS)

Wälz, Gero; Kats, Daniel; Usvyat, Denis; Korona, Tatiana; Schütz, Martin

2012-11-01

Linear-response methods, based on the time-dependent variational coupled-cluster or the unitary coupled-cluster model, and truncated at the second order according to the Møller-Plesset partitioning, i.e., the TD-VCC[2] and TD-UCC[2] linear-response methods, are presented and compared. For both of these methods a Hermitian eigenvalue problem has to be solved to obtain excitation energies and state eigenvectors. The excitation energies thus are guaranteed always to be real valued, and the eigenvectors are mutually orthogonal, in contrast to response theories based on “traditional” coupled-cluster models. It turned out that the TD-UCC[2] working equations for excitation energies and polarizabilities are equivalent to those of the second-order algebraic diagrammatic construction scheme ADC(2). Numerical tests are carried out by calculating TD-VCC[2] and TD-UCC[2] excitation energies and frequency-dependent dipole polarizabilities for several test systems and by comparing them to the corresponding values obtained from other second- and higher-order methods. It turns out that the TD-VCC[2] polarizabilities in the frequency regions away from the poles are of a similar accuracy as for other second-order methods, as expected from the perturbative analysis of the TD-VCC[2] polarizability expression. On the other hand, the TD-VCC[2] excitation energies are systematically too low relative to other second-order methods (including TD-UCC[2]). On the basis of these results and an analysis presented in this work, we conjecture that the perturbative expansion of the Jacobian converges more slowly for the TD-VCC formalism than for TD-UCC or for response theories based on traditional coupled-cluster models.

Using the Chebychev expansion in quantum transport calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popescu, Bogdan; Rahman, Hasan; Kleinekathöfer, Ulrich, E-mail: u.kleinekathoefer@jacobs-university.de

2015-04-21

Irradiation by laser pulses and a fluctuating surrounding liquid environment can, for example, lead to time-dependent effects in the transport through molecular junctions. From the theoretical point of view, time-dependent theories of quantum transport are still challenging. In one of these existing transport theories, the energy-dependent coupling between molecule and leads is decomposed into Lorentzian functions. This trick has successfully been combined with quantum master approaches, hierarchical formalisms, and non-equilibrium Green’s functions. The drawback of this approach is, however, its serious limitation to certain forms of the molecule-lead coupling and to higher temperatures. Tian and Chen [J. Chem. Phys. 137,more » 204114 (2012)] recently employed a Chebychev expansion to circumvent some of these latter problems. Here, we report on a similar approach also based on the Chebychev expansion but leading to a different set of coupled differential equations using the fact that a derivative of a zeroth-order Bessel function can again be given in terms of Bessel functions. Test calculations show the excellent numerical accuracy and stability of the presented formalism. The time span for which this Chebychev expansion scheme is valid without any restrictions on the form of the spectral density or temperature can be determined a priori.« less

Changes in solar wind-magnetosphere coupling with solar cycle, season, and time relative to stream interfaces

NASA Astrophysics Data System (ADS)

McPherron, Robert L.; Baker, Daniel N.; Pulkkinen, T. I.; Hsu, T.-S.; Kissinger, J.; Chu, X.

2013-07-01

Geomagnetic activity depends on a variety of factors including solar zenith angle, solar UV, strength of the interplanetary magnetic field, speed and density of the solar wind, orientation of the Earth’s dipole, distance of the Earth from Sun, occurrence of CMEs and CIRs, and possibly other parameters. We have investigated some of these using state-dependant linear prediction filters. For a given state a prediction filter transforms a coupling function such as rectified solar wind electric field (VBs) to an output like the auroral electrojet index (AL). The area of this filter calculated from the sum of the filter coefficients measures the strength of the coupling. When the input and output are steady for a time longer than the duration of the filter the ratio of output to input is equal to this area. We find coupling strength defined in this way for Es=VBs to AL (and AU) is weakest at solar maximum and strongest at solar minimum. AL coupling displays a semiannual variation being weakest at the solstices and strongest at the equinoxes. AU coupling has only an annual variation being strongest at summer solstice. AL and AU coupling also vary with time relative to a stream interface. Es coupling is weaker after the interface, but ULF coupling is stronger. Total prediction efficiency remains about constant at the interface. The change in coupling strength with the solar cycle can be explained as an effect of more frequent saturation of the polar cap potential causing a smaller ratio of AL to Es. Stronger AL coupling at the equinoxes possibly indicates some process that makes magnetic reconnection less efficient when the dipole axis is tilted along the Earth-Sun line. Strong AU coupling at summer solstice is likely due to high conductivity in northern summer. Coupling changes at a stream interface are correlated with the presence of strong wave activity in ground and satellite measurements and may be an artifact of the method by which solar wind data are propagated.

Exploration properties of biased evanescent random walkers on a one-dimensional lattice

NASA Astrophysics Data System (ADS)

Esguerra, Jose Perico; Reyes, Jelian

2017-08-01

We investigate the combined effects of bias and evanescence on the characteristics of random walks on a one-dimensional lattice. We calculate the time-dependent return probability, eventual return probability, conditional mean return time, and the time-dependent mean number of visited sites of biased immortal and evanescent discrete-time random walkers on a one-dimensional lattice. We then extend the calculations to the case of a continuous-time step-coupled biased evanescent random walk on a one-dimensional lattice with an exponential waiting time distribution.

Evolution model with a cumulative feedback coupling

NASA Astrophysics Data System (ADS)

Trimper, Steffen; Zabrocki, Knud; Schulz, Michael

2002-05-01

The paper is concerned with a toy model that generalizes the standard Lotka-Volterra equation for a certain population by introducing a competition between instantaneous and accumulative, history-dependent nonlinear feedback the origin of which could be a contribution from any kind of mismanagement in the past. The results depend on the sign of that additional cumulative loss or gain term of strength λ. In case of a positive coupling the system offers a maximum gain achieved after a finite time but the population will die out in the long time limit. In this case the instantaneous loss term of strength u is irrelevant and the model exhibits an exact solution. In the opposite case λ<0 the time evolution of the system is terminated in a crash after ts provided u=0. This singularity after a finite time can be avoided if u≠0. The approach may well be of relevance for the qualitative understanding of more realistic descriptions.

Coupled Viscous Fluid Flow and Joint Deformation Analysis for Grout Injection in a Rock Joint

NASA Astrophysics Data System (ADS)

Kim, Hyung-Mok; Lee, Jong-Won; Yazdani, Mahmoud; Tohidi, Elham; Nejati, Hamid Reza; Park, Eui-Seob

2018-02-01

Fluid flow modeling is a major area of interest within the field of rock mechanics. The main objective of this study is to gain insight into the performance of grout injection inside jointed rock masses by numerical modeling of grout flow through a single rock joint. Grout flow has been widely simulated using non-Newtonian Bingham fluid characterized by two main parameters of dynamic viscosity and shear yield strength both of which are time dependent. The increasing value of these properties with injection time will apparently affect the parameters representing the grouting performance including grout penetration length and volumetric injection rate. In addition, through hydromechanical coupling a mutual influence between the injection pressure from the one side and the joint opening/closing behavior and the aperture profile variation on the other side is anticipated. This is capable of producing a considerable impact on grout spread within the rock joints. In this study based on the Bingham fluid model, a series of numerical analysis has been conducted using UDEC to simulate the flow of viscous grout in a single rock joint with smooth parallel surfaces. In these analyses, the time-dependent evolution of the grout fluid properties and the hydromechanical coupling have been considered to investigate their impact on grouting performance. In order to verify the validity of these simulations, the results of analyses including the grout penetration length and the injection flow rate were compared with a well-known analytical solution which is available for the simple case of constant grout properties and non-coupled hydraulic analysis. The comparison demonstrated that the grout penetration length can be overestimated when the time-dependent hardening of grout material is not considered. Moreover, due to the HM coupling, it was shown that the joint opening induced by injection pressure may have a considerable increasing impression on the values of penetration length and injected grout volume.

Global properties in an experimental realization of time-delayed feedback control with an unstable control loop.

PubMed

Höhne, Klaus; Shirahama, Hiroyuki; Choe, Chol-Ung; Benner, Hartmut; Pyragas, Kestutis; Just, Wolfram

2007-05-25

We demonstrate by electronic circuit experiments the feasibility of an unstable control loop to stabilize torsion-free orbits by time-delayed feedback control. Corresponding analytical normal form calculations and numerical simulations reveal a severe dependence of the basin of attraction on the particular coupling scheme of the control force. Such theoretical predictions are confirmed by the experiments and emphasize the importance of the coupling scheme for the global control performance.

Does Spike-Timing-Dependent Synaptic Plasticity Couple or Decouple Neurons Firing in Synchrony?

PubMed Central

Knoblauch, Andreas; Hauser, Florian; Gewaltig, Marc-Oliver; Körner, Edgar; Palm, Günther

2012-01-01

Spike synchronization is thought to have a constructive role for feature integration, attention, associative learning, and the formation of bidirectionally connected Hebbian cell assemblies. By contrast, theoretical studies on spike-timing-dependent plasticity (STDP) report an inherently decoupling influence of spike synchronization on synaptic connections of coactivated neurons. For example, bidirectional synaptic connections as found in cortical areas could be reproduced only by assuming realistic models of STDP and rate coding. We resolve this conflict by theoretical analysis and simulation of various simple and realistic STDP models that provide a more complete characterization of conditions when STDP leads to either coupling or decoupling of neurons firing in synchrony. In particular, we show that STDP consistently couples synchronized neurons if key model parameters are matched to physiological data: First, synaptic potentiation must be significantly stronger than synaptic depression for small (positive or negative) time lags between presynaptic and postsynaptic spikes. Second, spike synchronization must be sufficiently imprecise, for example, within a time window of 5–10 ms instead of 1 ms. Third, axonal propagation delays should not be much larger than dendritic delays. Under these assumptions synchronized neurons will be strongly coupled leading to a dominance of bidirectional synaptic connections even for simple STDP models and low mean firing rates at the level of spontaneous activity. PMID:22936909

Domestic outsourcing and multitasking: How much do they really contribute?

PubMed

Sullivan, Oriel; Gershuny, Jonathan

2013-09-01

The bulk of responsibility for domestic work and childcare in heterosexual couples falls on women. But the means they find to cope with this load, and how these means relate to the factors underpinning the division of labor are not often studied. Two much-cited ways of reducing overall work time are purchasing domestic assistance (outsourcing) and the multitasking of domestic/caring tasks. Using UK 2000/2001 time-use data (N=4196 couples), we find domestic outsourcing is related to having dependent children and to partners' resources, but has little impact on the total domestic/caring workload of either partner. Nor can outsourcing account for the reduction in women's unpaid labor with increasing economic resources. Wives spend more time multitasking than husbands, but their proportion of multitasked domestic time is similar, and is not affected by resources or dependent children. Domestic multitasking seems to be more related to opportunity (time at home) than to time pressure. Copyright © 2013 Elsevier Inc. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qin, Yuyuan; Wang, Siqi; Wang, Rui

The spin-orbit coupling strength of graphene can be enhanced by depositing iridium nanoclusters. Weak localization is intensely suppressed near zero fields after the cluster deposition, rather than changing to weak anti-localization. Fitting the magnetoresistance gives the spin relaxation time, which increases by two orders with the application of a back gate. The spin relaxation time is found to be proportional to the electronic elastic scattering time, demonstrating the Elliot–Yafet spin relaxation mechanism. A sizeable Kane–Mele-like coupling strength of over 5.5 meV is determined by extrapolating the temperature dependence to zero.

Correlation buildup during recrystallization in three-dimensional dusty plasma clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schella, André; Mulsow, Matthias; Melzer, André

2014-05-15

The recrystallization process of finite three-dimensional dust clouds after laser heating is studied experimentally. The time-dependent Coulomb coupling parameter is presented, showing that the recrystallization starts with an exponential cooling phase where cooling is slower than damping by the neutral gas friction. At later times, the coupling parameter oscillates into equilibrium. It is found that a large fraction of cluster states after recrystallization experiments is in metastable states. The temporal evolution of the correlation buildup shows that correlation occurs on even slower time scale than cooling.

Mutual Information in Frequency and Its Application to Measure Cross-Frequency Coupling in Epilepsy

NASA Astrophysics Data System (ADS)

Malladi, Rakesh; Johnson, Don H.; Kalamangalam, Giridhar P.; Tandon, Nitin; Aazhang, Behnaam

2018-06-01

We define a metric, mutual information in frequency (MI-in-frequency), to detect and quantify the statistical dependence between different frequency components in the data, referred to as cross-frequency coupling and apply it to electrophysiological recordings from the brain to infer cross-frequency coupling. The current metrics used to quantify the cross-frequency coupling in neuroscience cannot detect if two frequency components in non-Gaussian brain recordings are statistically independent or not. Our MI-in-frequency metric, based on Shannon's mutual information between the Cramer's representation of stochastic processes, overcomes this shortcoming and can detect statistical dependence in frequency between non-Gaussian signals. We then describe two data-driven estimators of MI-in-frequency: one based on kernel density estimation and the other based on the nearest neighbor algorithm and validate their performance on simulated data. We then use MI-in-frequency to estimate mutual information between two data streams that are dependent across time, without making any parametric model assumptions. Finally, we use the MI-in- frequency metric to investigate the cross-frequency coupling in seizure onset zone from electrocorticographic recordings during seizures. The inferred cross-frequency coupling characteristics are essential to optimize the spatial and spectral parameters of electrical stimulation based treatments of epilepsy.

Quantum Algorithms for Computational Physics: Volume 3 of Lattice Gas Dynamics

DTIC Science & Technology

2007-01-03

time- dependent state |q(t)〉 of a two- energy level quantum mechanical system, which is a fermionic qubit and is governed by the Schroedinger wave...on-site ket of size 2B |Ψ〉 total system ket of size 2Q 2.2 The quantum state in the number representation From the previous section, a time- dependent ...duration depend on the particular experimental realization, so that the natural coupling along with the program of externally applied pulses together

Quantum electrodynamical time-dependent density functional theory for many-electron systems on a lattice

NASA Astrophysics Data System (ADS)

Farzanehpour, Mehdi; Tokatly, Ilya; Nano-Bio Spectroscopy Group; ETSF Scientific Development Centre Team

2015-03-01

We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v-representable. Spanish Ministry of Economy and Competitiveness (Grant No. FIS2013-46159-C3-1-P), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec).

Polarization-dependent extraordinary optical transmission from upconversion nanoparticles.

PubMed

Wang, Peng Hui; Salcedo, Walter J; Pichaandi, Jothirmayanantham; van Veggel, Frank C J M; Brolo, Alexandre G

2015-11-21

Enhanced upconversion (UC) emission was experimentally demonstrated using gold double antenna nanoparticles coupled to nanoslits in gold films. The transmitted red emission from UC ytterbium and erbium co-doped sodium yttrium fluoride (NaYF4:Yb(3+)/Er(3+)) nanoparticles (UC NPs) at ∼665 nm (excited with a 980 nm diode laser) was enhanced relative to the green emission at ∼550 nm. The relatively enhanced UC NP emission could be tuned by the different polarization-dependent extraordinary optical transmission modes coupled to the gold nanostructures. Finite-difference time-domain calculations suggest that the preferential enhanced UC emission is related to a combination of different surface plasmon mode excitation coupling to cavity Fabry-Perot interactions. A maximum UC enhancement of 6-fold was measured for nanoslit arrays in the absence of the double antennas. In the presence of the double nanoantennas inside the nanoslits, the UC enhancement was between 2- and 4-fold, depending on the experimental conditions.

Reply to “Comment on ‘Axion induced oscillating electric dipole moments’”

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hill, Christopher T.

A recent paper of Flambaum, Roberts and Stadnik, [1], claims there is no induced oscillating electric dipole moment (OEDM), eg, for the electron, arising from the oscillating cosmic axion background via the anomaly. This claim is based upon the assumption that electric dipoles always be defined by their coupling to static (constant in time) electric fields. The relevant Feynman diagram, as computed by [1], then becomes a total divergence, and vanishes in momentum space. However, an OEDM does arise from the anomaly, coupled to time dependent electric fields. It shares the decoupling properties with the anomaly. The full action, inmore » an arbitrary gauge, was computed in [2], [3]. It is nonvanishing with a time dependent outgoing photon, and yields physics, eg, electric dipole radiation of an electron immersed in a cosmic axion field.« less

Entanglement scrambling in 2d conformal field theory

DOE PAGES

Asplund, Curtis T.; Bernamonti, Alice; Galli, Federico; ...

2015-09-17

Here, we investigate how entanglement spreads in time-dependent states of a 1+1 dimensional conformal field theory (CFT). The results depend qualitatively on the value of the central charge. In rational CFTs, which have central charge below a critical value, entanglement entropy behaves as if correlations were carried by free quasiparticles. This leads to long-term memory effects, such as spikes in the mutual information of widely separated regions at late times. When the central charge is above the critical value, the quasiparticle picture fails. Assuming no extended symmetry algebra, any theory with c > 1 has diminished memory effects compared tomore » the rational models. In holographic CFTs, with c >> 1, these memory effects are eliminated altogether at strong coupling, but reappear after the scrambling time t ≳ β log c at weak coupling.« less

Noise-enhanced coupling between two oscillators with long-term plasticity

NASA Astrophysics Data System (ADS)

Lücken, Leonhard; Popovych, Oleksandr V.; Tass, Peter A.; Yanchuk, Serhiy

2016-03-01

Spike timing-dependent plasticity is a fundamental adaptation mechanism of the nervous system. It induces structural changes of synaptic connectivity by regulation of coupling strengths between individual cells depending on their spiking behavior. As a biophysical process its functioning is constantly subjected to natural fluctuations. We study theoretically the influence of noise on a microscopic level by considering only two coupled neurons. Adopting a phase description for the neurons we derive a two-dimensional system which describes the averaged dynamics of the coupling strengths. We show that a multistability of several coupling configurations is possible, where some configurations are not found in systems without noise. Intriguingly, it is possible that a strong bidirectional coupling, which is not present in the noise-free situation, can be stabilized by the noise. This means that increased noise, which is normally expected to desynchronize the neurons, can be the reason for an antagonistic response of the system, which organizes itself into a state of stronger coupling and counteracts the impact of noise. This mechanism, as well as a high potential for multistability, is also demonstrated numerically for a coupled pair of Hodgkin-Huxley neurons.

Electrical switching and oscillations in vanadium dioxide

NASA Astrophysics Data System (ADS)

Pergament, Alexander; Velichko, Andrey; Belyaev, Maksim; Putrolaynen, Vadim

2018-05-01

We have studied electrical switching with S-shaped I-V characteristics in two-terminal MOM devices based on vanadium dioxide thin films. The switching effect is associated with the metal-insulator phase transition. Relaxation oscillations are observed in circuits with VO2-based switches. Dependences of the oscillator critical frequency Fmax, threshold power and voltage, as well as the time of current rise, on the switching structure size are obtained by numerical simulation. The empirical dependence of the threshold voltage on the switching region dimensions and film thickness is found. It is shown that, for the VO2 channel sizes of 10 × 10 nm, Fmax can reach the value of 300 MHz at a film thickness of 20 nm. Next, it is shown that oscillatory neural networks can be implemented on the basis of coupled VO2 oscillators. For the weak capacitive coupling, we revealed the dependence of the phase difference upon synchronization on the coupling capacitance value. When the switches are scaled down, the limiting time of synchronization is reduced to Ts 13 μs, and the number of oscillation periods for the entering to the synchronization mode remains constant, Ns 17. In the case of weak thermal coupling in the synchronization mode, we observe in-phase behavior of oscillators, and there is a certain range of parameters of the supply current, in which the synchronization effect becomes possible. With a decrease in dimensions, a decrease in the thermal coupling action radius is observed, which can vary in the range from 0.5 to 50 μm for structures with characteristic dimensions of 0.1-5 μm, respectively. Thermal coupling may have a promising effect for realization of a 3D integrated oscillatory neural network.

Watching excitons move: the time-dependent transition density matrix

NASA Astrophysics Data System (ADS)

Ullrich, Carsten

2012-02-01

Time-dependent density-functional theory allows one to calculate excitation energies and the associated transition densities in principle exactly. The transition density matrix (TDM) provides additional information on electron-hole localization and coherence of specific excitations of the many-body system. We have extended the TDM concept into the real-time domain in order to visualize the excited-state dynamics in conjugated molecules. The time-dependent TDM is defined as an implicit density functional, and can be approximately obtained from the time-dependent Kohn-Sham orbitals. The quality of this approximation is assessed in simple model systems. A computational scheme for real molecular systems is presented: the time-dependent Kohn-Sham equations are solved with the OCTOPUS code and the time-dependent Kohn-Sham TDM is calculated using a spatial partitioning scheme. The method is applied to show in real time how locally created electron-hole pairs spread out over neighboring conjugated molecular chains. The coupling mechanism, electron-hole coherence, and the possibility of charge separation are discussed.

Nonadiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density-Functional Theory

NASA Astrophysics Data System (ADS)

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-04-01

We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead in time-dependent density-functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.

Nonadiabatic Dynamics in Single-Electron Tunneling Devices with Time-Dependent Density-Functional Theory.

PubMed

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-04-13

We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead in time-dependent density-functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.

Quantum thermodynamics: a nonequilibrium Green's function approach.

PubMed

Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael

2015-02-27

We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.

Bosonization of fermions coupled to topologically massive gravity

NASA Astrophysics Data System (ADS)

Fradkin, Eduardo; Moreno, Enrique F.; Schaposnik, Fidel A.

2014-03-01

We establish a duality between massive fermions coupled to topologically massive gravity (TMG) in d=3 space-time dimensions and a purely gravity theory which also will turn out to be a TMG theory but with different parameters: the original graviton mass in the TMG theory coupled to fermions picks up a contribution from fermion bosonization. We obtain explicit bosonization rules for the fermionic currents and for the energy-momentum tensor showing that the identifications do not depend explicitly on the parameters of the theory. These results are the gravitational analog of the results for 2+1 Abelian and non-Abelian bosonization in flat space-time.

Finite-time synchronization of stochastic coupled neural networks subject to Markovian switching and input saturation.

PubMed

Selvaraj, P; Sakthivel, R; Kwon, O M

2018-06-07

This paper addresses the problem of finite-time synchronization of stochastic coupled neural networks (SCNNs) subject to Markovian switching, mixed time delay, and actuator saturation. In addition, coupling strengths of the SCNNs are characterized by mutually independent random variables. By utilizing a simple linear transformation, the problem of stochastic finite-time synchronization of SCNNs is converted into a mean-square finite-time stabilization problem of an error system. By choosing a suitable mode dependent switched Lyapunov-Krasovskii functional, a new set of sufficient conditions is derived to guarantee the finite-time stability of the error system. Subsequently, with the help of anti-windup control scheme, the actuator saturation risks could be mitigated. Moreover, the derived conditions help to optimize estimation of the domain of attraction by enlarging the contractively invariant set. Furthermore, simulations are conducted to exhibit the efficiency of proposed control scheme. Copyright © 2018 Elsevier Ltd. All rights reserved.

Synchronization in a chaotic neural network with time delay depending on the spatial distance between neurons

NASA Astrophysics Data System (ADS)

Tang, Guoning; Xu, Kesheng; Jiang, Luoluo

2011-10-01

The synchronization is investigated in a two-dimensional Hindmarsh-Rose neuronal network by introducing a global coupling scheme with time delay, where the length of time delay is proportional to the spatial distance between neurons. We find that the time delay always disturbs synchronization of the neuronal network. When both the coupling strength and length of time delay per unit distance (i.e., enlargement factor) are large enough, the time delay induces the abnormal membrane potential oscillations in neurons. Specifically, the abnormal membrane potential oscillations for the symmetrically placed neurons form an antiphase, so that the large coupling strength and enlargement factor lead to the desynchronization of the neuronal network. The complete and intermittently complete synchronization of the neuronal network are observed for the right choice of parameters. The physical mechanism underlying these phenomena is analyzed.

Computational Issues Associated with Temporally Deforming Geometries Such as Thrust Vectoring Nozzles

NASA Technical Reports Server (NTRS)

Boyalakuntla, Kishore; Soni, Bharat K.; Thornburg, Hugh J.; Yu, Robert

1996-01-01

During the past decade, computational simulation of fluid flow around complex configurations has progressed significantly and many notable successes have been reported, however, unsteady time-dependent solutions are not easily obtainable. The present effort involves unsteady time dependent simulation of temporally deforming geometries. Grid generation for a complex configuration can be a time consuming process and temporally varying geometries necessitate the regeneration of such grids for every time step. Traditional grid generation techniques have been tried and demonstrated to be inadequate to such simulations. Non-Uniform Rational B-splines (NURBS) based techniques provide a compact and accurate representation of the geometry. This definition can be coupled with a distribution mesh for a user defined spacing. The present method greatly reduces cpu requirements for time dependent remeshing, facilitating the simulation of more complex unsteady problems. A thrust vectoring nozzle has been chosen to demonstrate the capability as it is of current interest in the aerospace industry for better maneuverability of fighter aircraft in close combat and in post stall regimes. This current effort is the first step towards multidisciplinary design optimization which involves coupling the aerodynamic heat transfer and structural analysis techniques. Applications include simulation of temporally deforming bodies and aeroelastic problems.

Lateral hopping of CO molecules on Pt(111) surface by femtosecond laser pulses

NASA Astrophysics Data System (ADS)

Hayashi, M.; Ootsuka, Y.; Paulsson, M.; Persson, B. N. J.; Ueba, H.

2009-12-01

Theory of heat transfer between adsorbate vibrational degrees of freedom and ultrafast laser heated hot electrons including vibrational intermode coupling is applied to calculate two-pulse correlation, laser fluence dependence and time dependence of lateral hopping of CO molecules from a step to terrace site on a stepped Pt (111) surface. The intermode coupling is a key ingredient to describe vibrational heating of the frustrated translation mode responsible for the CO hopping. The calculated results are in good agreement with the experimental results, especially if we scale down the experimentally determined absorbed fluence. It is found that CO hopping is induced by indirect heating of the FT mode by the FR mode with a strong frictional coupling to hot electrons.

Excitonic energy transfer in light-harvesting complexes in purple bacteria

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ye Jun; Sun Kewei; Zhao Yang

Two distinct approaches, the Frenkel-Dirac time-dependent variation and the Haken-Strobl model, are adopted to study energy transfer dynamics in single-ring and double-ring light-harvesting (LH) systems in purple bacteria. It is found that the inclusion of long-range dipolar interactions in the two methods results in significant increase in intra- or inter-ring exciton transfer efficiency. The dependence of exciton transfer efficiency on trapping positions on single rings of LH2 (B850) and LH1 is similar to that in toy models with nearest-neighbor coupling only. However, owing to the symmetry breaking caused by the dimerization of BChls and dipolar couplings, such dependence has beenmore » largely suppressed. In the studies of coupled-ring systems, both methods reveal an interesting role of dipolar interactions in increasing energy transfer efficiency by introducing multiple intra/inter-ring transfer paths. Importantly, the time scale (4 ps) of inter-ring exciton transfer obtained from polaron dynamics is in good agreement with previous studies. In a double-ring LH2 system, non-nearest neighbor interactions can induce symmetry breaking, which leads to global and local minima of the average trapping time in the presence of a non-zero dephasing rate, suggesting that environment dephasing helps preserve quantum coherent energy transfer when the perfect circular symmetry in the hypothetic system is broken. This study reveals that dipolar coupling between chromophores may play an important role in the high energy transfer efficiency in the LH systems of purple bacteria and many other natural photosynthetic systems.« less

A Polarization-Dependent Normal Incident Quantum Cascade Detector Enhanced Via Metamaterial Resonators.

PubMed

Wang, Lei; Zhai, Shen-Qiang; Wang, Feng-Jiao; Liu, Jun-Qi; Liu, Shu-Man; Zhuo, Ning; Zhang, Chuan-Jin; Wang, Li-Jun; Liu, Feng-Qi; Wang, Zhan-Guo

2016-12-01

The design, fabrication, and characterization of a polarization-dependent normal incident quantum cascade detector coupled via complementary split-ring metamaterial resonators in the infrared regime are presented. The metamaterial structure is designed through three-dimensional finite-difference time-domain method and fabricated on the top metal contact, which forms a double-metal waveguide together with the metallic ground plane. With normal incidence, significant enhancements of photocurrent response are obtained at the metamaterial resonances compared with the 45° polished edge coupling device. The photocurrent response enhancements exhibit clearly polarization dependence, and the largest response enhancement factor of 165% is gained for the incident light polarized parallel to the split-ring gap.

Magnetization-induced dynamics of a Josephson junction coupled to a nanomagnet

NASA Astrophysics Data System (ADS)

Ghosh, Roopayan; Maiti, Moitri; Shukrinov, Yury M.; Sengupta, K.

2017-11-01

We study the superconducting current of a Josephson junction (JJ) coupled to an external nanomagnet driven by a time-dependent magnetic field both without and in the presence of an external ac drive. We provide an analytic, albeit perturbative, solution for the Landau-Lifshitz (LL) equations governing the coupled JJ-nanomagnet system in the presence of a magnetic field with arbitrary time dependence oriented along the easy axis of the nanomagnet's magnetization and in the limit of weak dimensionless coupling ɛ0 between the JJ and the nanomagnet. We show the existence of Shapiro-type steps in the I -V characteristics of the JJ subjected to a voltage bias for a constant or periodically varying magnetic field and explore the effect of rotation of the magnetic field and the presence of an external ac drive on these steps. We support our analytic results with exact numerical solution of the LL equations. We also extend our results to dissipative nanomagnets by providing a perturbative solution to the Landau-Lifshitz-Gilbert (LLG) equations for weak dissipation. We study the fate of magnetization-induced Shapiro steps in the presence of dissipation both from our analytical results and via numerical solution of the coupled LLG equations. We discuss experiments which can test our theory.

Computational fluid dynamics and frequency-dependent finite-difference time-domain method coupling for the interaction between microwaves and plasma in rocket plumes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kinefuchi, K.; Funaki, I.; Shimada, T.

Under certain conditions during rocket flights, ionized exhaust plumes from solid rocket motors may interfere with radio frequency transmissions. To understand the relevant physical processes involved in this phenomenon and establish a prediction process for in-flight attenuation levels, we attempted to measure microwave attenuation caused by rocket exhaust plumes in a sea-level static firing test for a full-scale solid propellant rocket motor. The microwave attenuation level was calculated by a coupling simulation of the inviscid-frozen-flow computational fluid dynamics of an exhaust plume and detailed analysis of microwave transmissions by applying a frequency-dependent finite-difference time-domain method with the Drude dispersion model.more » The calculated microwave attenuation level agreed well with the experimental results, except in the case of interference downstream the Mach disk in the exhaust plume. It was concluded that the coupling estimation method based on the physics of the frozen plasma flow with Drude dispersion would be suitable for actual flight conditions, although the mixing and afterburning in the plume should be considered depending on the flow condition.« less

Superradiance of cold atoms coupled to a superconducting circuit

NASA Astrophysics Data System (ADS)

Braun, Daniel; Hoffman, Jonathan; Tiesinga, Eite

2011-06-01

We investigate superradiance of an ensemble of atoms coupled to an integrated superconducting LC circuit. Particular attention is paid to the effect of inhomogeneous coupling constants. Combining perturbation theory in the inhomogeneity and numerical simulations, we show that inhomogeneous coupling constants can significantly affect the superradiant relaxation process. Incomplete relaxation terminating in “dark states” can occur, from which the only escape is through individual spontaneous emission on a much longer time scale. The relaxation dynamics can be significantly accelerated or retarded, depending on the distribution of the coupling constants. On the technical side, we also generalize the previously known propagator of superradiance for identical couplings in the completely symmetric sector to the full exponentially large Hilbert space.

Metric versus observable operator representation, higher spin models

NASA Astrophysics Data System (ADS)

Fring, Andreas; Frith, Thomas

2018-02-01

We elaborate further on the metric representation that is obtained by transferring the time-dependence from a Hermitian Hamiltonian to the metric operator in a related non-Hermitian system. We provide further insight into the procedure on how to employ the time-dependent Dyson relation and the quasi-Hermiticity relation to solve time-dependent Hermitian Hamiltonian systems. By solving both equations separately we argue here that it is in general easier to solve the former. We solve the mutually related time-dependent Schrödinger equation for a Hermitian and non-Hermitian spin 1/2, 1 and 3/2 model with time-independent and time-dependent metric, respectively. In all models the overdetermined coupled system of equations for the Dyson map can be decoupled algebraic manipulations and reduces to simple linear differential equations and an equation that can be converted into the non-linear Ermakov-Pinney equation.

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics

NASA Astrophysics Data System (ADS)

Kretchmer, Joshua S.; Chan, Garnet Kin-Lic

2018-02-01

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics.

PubMed

Kretchmer, Joshua S; Chan, Garnet Kin-Lic

2018-02-07

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

Impact of the time scale of model sensitivity response on coupled model parameter estimation

NASA Astrophysics Data System (ADS)

Liu, Chang; Zhang, Shaoqing; Li, Shan; Liu, Zhengyu

2017-11-01

That a model has sensitivity responses to parameter uncertainties is a key concept in implementing model parameter estimation using filtering theory and methodology. Depending on the nature of associated physics and characteristic variability of the fluid in a coupled system, the response time scales of a model to parameters can be different, from hourly to decadal. Unlike state estimation, where the update frequency is usually linked with observational frequency, the update frequency for parameter estimation must be associated with the time scale of the model sensitivity response to the parameter being estimated. Here, with a simple coupled model, the impact of model sensitivity response time scales on coupled model parameter estimation is studied. The model includes characteristic synoptic to decadal scales by coupling a long-term varying deep ocean with a slow-varying upper ocean forced by a chaotic atmosphere. Results show that, using the update frequency determined by the model sensitivity response time scale, both the reliability and quality of parameter estimation can be improved significantly, and thus the estimated parameters make the model more consistent with the observation. These simple model results provide a guideline for when real observations are used to optimize the parameters in a coupled general circulation model for improving climate analysis and prediction initialization.

Formation Of Amplitude Grating In Real-Time Holographic Recording Medium BSO Crystal

NASA Astrophysics Data System (ADS)

Yuan, Yan; Wei-shu, Wu; Ying-li, Chen

1988-01-01

The intensity-dependent absorption was discovered through experiments in photorefractive crystal BSO. The nonlinear coupled-wave equation describing the dynamic mixed volume gratings was derived, in which self-diffraction and the intensity-dependent absorption was considered. The calculated results are in agreement with the experiment.

Effect of inductive and capacitive coupling on the current–voltage characteristic and electromagnetic radiation from a system of Josephson junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rahmonov, I. R., E-mail: rahmonov@theor.jinr.ru, E-mail: ilhom-tj@inbox.ru; Shukrinov, Yu. M.; Atanasova, P. Kh.

We have studied the current–voltage characteristic of a system of long Josephson junctions taking into account the inductive and capacitive coupling. The dependence of the average time derivative of the phase difference on the bias current and spatiotemporal dependences of the phase difference and magnetic field in each junction are considered. The possibility of branching of the current–voltage characteristic in the region of zero field step, which is associated with different numbers of fluxons in individual Josephson junctions, is demonstrated. The current–voltage characteristic of the system of Josephson junctions is compared with the case of a single junction, and itmore » is shown that the observed branching is due to coupling between the junctions. The intensity of electromagnetic radiation associated with motion of fluxons is calculated, and the effect of coupling between junctions on the radiation power is analyzed.« less

A new efficient method for calculation of Frenkel exciton parameters in molecular aggregates

NASA Astrophysics Data System (ADS)

Plötz, Per-Arno; Niehaus, Thomas; Kühn, Oliver

2014-05-01

The Frenkel exciton Hamiltonian is at the heart of many simulations of excitation energy transfer in molecular aggregates. It separates the aggregate into Coulomb-coupled monomers. Here it is shown that the respective parameters, i.e., monomeric excitation energies and Coulomb couplings between transition densities can be efficiently calculated using time-dependent tight-binding-based density functional theory (TD-DFTB). Specifically, Coulomb couplings are expressed in terms of self-consistently determined Mulliken transition charges. The approach is applied to two dimer systems. First, formaldehyde oxime for which a detailed comparison with standard DFT using the B3LYP and the PBE functionals as well as with SCS-CC2 is provided. Second, the Coulomb coupling is explored in dependence on the intermolecular coordinates for a perylene bisimide dimer. This provides structural evidence for the previously observed biphasic aggregation behavior of this dye.

Delay decomposition approach to [Formula: see text] filtering analysis of genetic oscillator networks with time-varying delays.

PubMed

Revathi, V M; Balasubramaniam, P

2016-04-01

In this paper, the [Formula: see text] filtering problem is treated for N coupled genetic oscillator networks with time-varying delays and extrinsic molecular noises. Each individual genetic oscillator is a complex dynamical network that represents the genetic oscillations in terms of complicated biological functions with inner or outer couplings denote the biochemical interactions of mRNAs, proteins and other small molecules. Throughout the paper, first, by constructing appropriate delay decomposition dependent Lyapunov-Krasovskii functional combined with reciprocal convex approach, improved delay-dependent sufficient conditions are obtained to ensure the asymptotic stability of the filtering error system with a prescribed [Formula: see text] performance. Second, based on the above analysis, the existence of the designed [Formula: see text] filters are established in terms of linear matrix inequalities with Kronecker product. Finally, numerical examples including a coupled Goodwin oscillator model are inferred to illustrate the effectiveness and less conservatism of the proposed techniques.

Density matrix-based time-dependent configuration interaction approach to ultrafast spin-flip dynamics

NASA Astrophysics Data System (ADS)

Wang, Huihui; Bokarev, Sergey I.; Aziz, Saadullah G.; Kühn, Oliver

2017-08-01

Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic timescales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core-hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter timescale. Using density matrix-based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p→3d) excited states of a prototypical Fe(II) complex. This process occurs on a timescale, which is faster than that of Auger decay (∼4 fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its control by soft X-ray light.

User's guide for the computer code COLTS for calculating the coupled laminar and turbulent flow over a Jovian entry probe

NASA Technical Reports Server (NTRS)

Kumar, A.; Graeves, R. A.

1980-01-01

A user's guide for a computer code 'COLTS' (Coupled Laminar and Turbulent Solutions) is provided which calculates the laminar and turbulent hypersonic flows with radiation and coupled ablation injection past a Jovian entry probe. Time-dependent viscous-shock-layer equations are used to describe the flow field. These equations are solved by an explicit, two-step, time-asymptotic finite-difference method. Eddy viscosity in the turbulent flow is approximated by a two-layer model. In all, 19 chemical species are used to describe the injection of carbon-phenolic ablator in the hydrogen-helium gas mixture. The equilibrium composition of the mixture is determined by a free-energy minimization technique. A detailed frequency dependence of the absorption coefficient for various species is considered to obtain the radiative flux. The code is written for a CDC-CYBER-203 computer and is capable of providing solutions for ablated probe shapes also.

Time-dependent view of an isotope effect in electron-nuclear nonequilibrium dynamics with applications to N2.

PubMed

Ajay, Jayanth S; Komarova, Ksenia G; Remacle, Francoise; Levine, R D

2018-06-05

Isotopic fractionation in the photodissociation of N 2 could explain the considerable variation in the 14 N/ 15 N ratio in different regions of our galaxy. We previously proposed that such an isotope effect is due to coupling of photoexcited bound valence and Rydberg electronic states in the frequency range where there is strong state mixing. We here identify features of the role of the mass in the dynamics through a time-dependent quantum-mechanical simulation. The photoexcitation of N 2 is by an ultrashort pulse so that the process has a sharply defined origin in time and so that we can monitor the isolated molecule dynamics in time. An ultrafast pulse is necessarily broad in frequency and spans several excited electronic states. Each excited molecule is therefore not in a given electronic state but in a superposition state. A short time after excitation, there is a fairly sharp onset of a mass-dependent large population transfer when wave packets on two different electronic states in the same molecule overlap. This coherent overlap of the wave packets on different electronic states in the region of strong coupling allows an effective transfer of population that is very mass dependent. The extent of the transfer depends on the product of the populations on the two different electronic states and on their relative phase. It is as if two molecules collide but the process occurs within one molecule, a molecule that is simultaneously in both states. An analytical toy model recovers the (strong) mass and energy dependence.

Universal far-from-equilibrium dynamics of a holographic superconductor.

PubMed

Sonner, Julian; Del Campo, Adolfo; Zurek, Wojciech H

2015-06-23

Symmetry-breaking phase transitions are an example of non-equilibrium processes that require real-time treatment, a major challenge in strongly coupled systems without long-lived quasiparticles. Holographic duality provides such an approach by mapping strongly coupled field theories in D dimensions into weakly coupled quantum gravity in D+1 anti-de Sitter spacetime. Here we use holographic duality to study the formation of topological defects-winding numbers-in the course of a superconducting transition in a strongly coupled theory in a 1D ring. When the system undergoes the transition on a given quench time, the condensate builds up with a delay that can be deduced using the Kibble-Zurek mechanism from the quench time and the universality class of the theory, as determined from the quasinormal mode spectrum of the dual model. Typical winding numbers deposited in the ring exhibit a universal fractional power law dependence on the quench time, also predicted by the Kibble-Zurek Mechanism.

Coupling of an acoustic wave to shear motion due to viscous heating

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Bin; Goree, J.

2016-07-15

Viscous heating due to shear motion in a plasma can result in the excitation of a longitudinal acoustic wave, if the shear motion is modulated in time. The coupling mechanism is a thermal effect: time-dependent shear motion causes viscous heating, which leads to a rarefaction that can couple into a longitudinal wave, such as an acoustic wave. This coupling mechanism is demonstrated in an electrostatic three-dimensional (3D) simulation of a dusty plasma, in which a localized shear flow is initiated as a pulse, resulting in a delayed outward propagation of a longitudinal acoustic wave. This coupling effect can be profoundmore » in plasmas that exhibit localized viscous heating, such as the dusty plasma we simulated using parameters typical of the PK-4 experiment. We expect that a similar phenomenon can occur with other kinds of plasma waves.« less

Interactive coupling of electronic and optical man-made devices to biological systems

NASA Astrophysics Data System (ADS)

Ozden, Ilker

Fireflies blink synchronously, lasers are "mode-locked" for amplification, cardiac pacemaker cells maintain a steady heartbeat, and crickets chirps get in step. These are examples of coupled oscillators. Coupled non-linear limit-cycle oscillator models are used extensively to provide information about the collective behavior of many physical and biological systems. Depending on the system parameters, namely, the coupling coefficient and the time delay in the coupling, these coupled limit-cycle oscillator exhibit several interesting phenomena; they either synchronize to a common frequency, or oscillate completely independent of each other, or drag each other to a standstill i.e., show "amplitude death". Many neuronal systems exhibit synchronized limit-cycle oscillations in network of electrically coupled cells. The inferior olivary (IO) neuron is an example of such a system. The inferior olive has been widely studied by neuroscientists as it exhibits spontaneous oscillations in its membrane potential, typically in the range of 1--10 Hz. Located in the medulla, the inferior olive is believed to form the neural basis for precise timing and learning in motor circuits by making strong synaptic connections onto Purkinjee cells in the cerebellum. In this thesis work, we report on work, which focuses on the implementation and study of coupling of a biological circuit, which is the inferior olivary system, with a man-made electronic oscillator, the so-called Chua's circuit. We were able to study the interaction between the two oscillators over a wide range coupling conditions. With increasing coupling strength, the oscillators become phase-locked, or synchronized, but with a phase relationship which is either in- or out-of-phase depending on the detailed adjustment in the coupling. Finally, the coupled system reaches the conditions for amplitude death, a rather fundamental result given that the interaction has taken place between purely biological and man-made circuit elements.

Subsurface flow pathway dynamics in the active layer of coupled permafrost-hydrogeological systems under seasonal and annual temperature variability.

NASA Astrophysics Data System (ADS)

Frampton, Andrew

2017-04-01

There is a need for improved understanding of the mechanisms controlling subsurface solute transport in the active layer in order to better understand permafrost-hydrological-carbon feedbacks, in particular with regards to how dissolved carbon is transported in coupled surface and subsurface terrestrial arctic water systems under climate change. Studying solute transport in arctic systems is also relevant in the context of anthropogenic pollution which may increase due to increased activity in cold region environments. In this contribution subsurface solute transport subject to ground surface warming causing permafrost thaw and active layer change is studied using a physically based model of coupled cryotic and hydrogeological flow processes combined with a particle tracking method. Changes in subsurface water flows and solute transport travel times are analysed for different modelled geological configurations during a 100-year warming period. Results show that for all simulated cases, the minimum and mean travel times increase non-linearly with warming irrespective of geological configuration and heterogeneity structure. The timing of the start of increase in travel time depends on heterogeneity structure, combined with the rate of permafrost degradation that also depends on material thermal and hydrogeological properties. These travel time changes are shown to depend on combined warming effects of increase in pathway length due to deepening of the active layer, reduced transport velocities due to a shift from horizontal saturated groundwater flow near the surface to vertical water percolation deeper into the subsurface, and pathway length increase and temporary immobilization caused by cryosuction-induced seasonal freeze cycles. The impact these change mechanisms have on solute and dissolved substance transport is further analysed by integrating pathway analysis with a Lagrangian approach, incorporating considerations for both dissolved organic and inorganic carbon releases. Further model development challenges are also highlighted and discussed, including coupling between subsurface and surface runoff, soil deformations, as well as site applications and larger system scales.

Coupled uncertainty provided by a multifractal random walker

NASA Astrophysics Data System (ADS)

Koohi Lai, Z.; Vasheghani Farahani, S.; Movahed, S. M. S.; Jafari, G. R.

2015-10-01

The aim here is to study the concept of pairing multifractality between time series possessing non-Gaussian distributions. The increasing number of rare events creates ;criticality;. We show how the pairing between two series is affected by rare events, which we call ;coupled criticality;. A method is proposed for studying the coupled criticality born out of the interaction between two series, using the bivariate multifractal random walk (BiMRW). This method allows studying dependence of the coupled criticality on the criticality of each individual system. This approach is applied to data sets of gold and oil markets, and inflation and unemployment.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abdel-Khalek, S., E-mail: sayedquantum@yahoo.co.uk; The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, Miramare-Trieste; Berrada, K.

The dynamics of a superconducting (SC) qubit interacting with a field under decoherence with and without time-dependent coupling effect is analyzed. Quantum features like the collapse–revivals for the dynamics of population inversion, sudden birth and sudden death of entanglement, and statistical properties are investigated under the phase damping effect. Analytic results for certain parametric conditions are obtained. We analyze the influence of decoherence on the negativity and Wehrl entropy for different values of the physical parameters. We also explore an interesting relation between the SC-field entanglement and Wehrl entropy behavior during the time evolution. We show that the amount ofmore » SC-field entanglement can be enhanced as the field tends to be more classical. The studied model of SC-field system with the time-dependent coupling has high practical importance due to their experimental accessibility which may open new perspectives in different tasks of quantum formation processing.« less

Green's Functions from Real-Time Bold-Line Monte Carlo Calculations: Spectral Properties of the Nonequilibrium Anderson Impurity Model

NASA Astrophysics Data System (ADS)

Cohen, Guy; Gull, Emanuel; Reichman, David R.; Millis, Andrew J.

2014-04-01

The nonequilibrium spectral properties of the Anderson impurity model with a chemical potential bias are investigated within a numerically exact real-time quantum Monte Carlo formalism. The two-time correlation function is computed in a form suitable for nonequilibrium dynamical mean field calculations. Additionally, the evolution of the model's spectral properties are simulated in an alternative representation, defined by a hypothetical but experimentally realizable weakly coupled auxiliary lead. The voltage splitting of the Kondo peak is confirmed and the dynamics of its formation after a coupling or gate quench are studied. This representation is shown to contain additional information about the dot's population dynamics. Further, we show that the voltage-dependent differential conductance gives a reasonable qualitative estimate of the equilibrium spectral function, but significant qualitative differences are found including incorrect trends and spurious temperature dependent effects.

Oscillator strengths, first-order properties, and nuclear gradients for local ADC(2).

PubMed

Schütz, Martin

2015-06-07

We describe theory and implementation of oscillator strengths, orbital-relaxed first-order properties, and nuclear gradients for the local algebraic diagrammatic construction scheme through second order. The formalism is derived via time-dependent linear response theory based on a second-order unitary coupled cluster model. The implementation presented here is a modification of our previously developed algorithms for Laplace transform based local time-dependent coupled cluster linear response (CC2LR); the local approximations thus are state specific and adaptive. The symmetry of the Jacobian leads to considerable simplifications relative to the local CC2LR method; as a result, a gradient evaluation is about four times less expensive. Test calculations show that in geometry optimizations, usually very similar geometries are obtained as with the local CC2LR method (provided that a second-order method is applicable). As an exemplary application, we performed geometry optimizations on the low-lying singlet states of chlorophyllide a.

Nonlinear time dependence of dark current in charge-coupled devices

NASA Astrophysics Data System (ADS)

Dunlap, Justin C.; Bodegom, Erik; Widenhorn, Ralf

2011-03-01

It is generally assumed that charge-coupled device (CCD) imagers produce a linear response of dark current versus exposure time except near saturation. We found a large number of pixels with nonlinear dark current response to exposure time to be present in two scientific CCD imagers. These pixels are found to exhibit distinguishable behavior with other analogous pixels and therefore can be characterized in groupings. Data from two Kodak CCD sensors are presented for exposure times from a few seconds up to two hours. Linear behavior is traditionally taken for granted when carrying out dark current correction and as a result, pixels with nonlinear behavior will be corrected inaccurately.

Ultrafast electronic relaxation in superheated bismuth

NASA Astrophysics Data System (ADS)

Gamaly, E. G.; Rode, A. V.

2013-01-01

Interaction of moving electrons with vibrating ions in the lattice forms the basis for many physical properties from electrical resistivity and electronic heat capacity to superconductivity. In ultrafast laser interaction with matter the electrons are heated much faster than the electron-ion energy equilibration, leading to a two-temperature state with electron temperature far above that of the lattice. The rate of temperature equilibration is governed by the strength of electron-phonon energy coupling, which is conventionally described by a coupling constant, neglecting the dependence on the electron and lattice temperature. The application of this constant to the observations of fast relaxation rate led to a controversial notion of ‘ultra-fast non-thermal melting’ under extreme electronic excitation. Here we provide theoretical grounds for a strong dependence of the electron-phonon relaxation time on the lattice temperature. We show, by taking proper account of temperature dependence, that the heating and restructuring of the lattice occurs much faster than were predicted on the assumption of a constant, temperature independent energy coupling. We applied the temperature-dependent momentum and energy transfer time to experiments on fs-laser excited bismuth to demonstrate that all the observed ultra-fast transformations of the transient state of bismuth are purely thermal in nature. The developed theory, when applied to ultrafast experiments on bismuth, provides interpretation of the whole variety of transient phase relaxation without the non-thermal melting conjecture.

Pressure Dependence of the Superfluid Fraction in 3He-A1

NASA Astrophysics Data System (ADS)

Bastea, M.; Okuda, Y.; Kojima, H.

1995-03-01

The superfluid fraction of 3He-A1 was determined in the Ginzburg-Landau (GL) region as a function of pressure between 10 and 30 bars from the measured spin-entropy wave velocity. The pressure dependence of the parameter β24, proportional to the fourth order coefficients of GL free energy expansion, was measured for the first time. At low pressures the parameter approaches the weak coupling limit in agreement with the theory of Sauls and Serene. The extracted strong coupling corrections to β24 and β5 at higher pressures are also consistent with the theory.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

NASA Astrophysics Data System (ADS)

Peters, William K.; Tiwari, Vivek; Jonas, David M.

2017-11-01

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.

PubMed

Peters, William K; Tiwari, Vivek; Jonas, David M

2017-11-21

The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

Single and Double Photoionization of Mg

NASA Astrophysics Data System (ADS)

Abdel-Naby, Shahin; Pindzola, M. S.; Colgan, J.

2014-05-01

Single and double photoionization cross sections for Mg are calculated using a time-dependent close-coupling method. The correlation between the two 3 s subshell electrons of Mg is obtained by relaxation of the close-coupled equations in imaginary time. An implicit method is used to propagate the close-coupled equations in real time to obtain single and double ionization cross sections for Mg. Energy and angle triple differential cross sections for double photoionization at equal energy sharing of E1 =E2 = 16 . 4 eV are compared with Elettra experiments and previous theoretical calculations. This work was supported in part by grants from NSF and US DoE. Computational work was carried out at NERSC in Oakland, California, NICS in Knoxville, Tennessee, and OLCF in Oak Ridge, Tennessee.

Communication: Creation of molecular vibrational motions via the rotation-vibration coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shu, Chuan-Cun; School of Engineering and Information Technology, University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600; Henriksen, Niels E., E-mail: neh@kemi.dtu.dk

2015-06-14

Building on recent advances in the rotational excitation of molecules, we show how the effect of rotation-vibration coupling can be switched on in a controlled manner and how this coupling unfolds in real time after a pure rotational excitation. We present the first examination of the vibrational motions which can be induced via the rotation-vibration coupling after a pulsed rotational excitation. A time-dependent quantum wave packet calculation for the HF molecule shows how a slow (compared to the vibrational period) rotational excitation leads to a smooth increase in the average bond length whereas a fast rotational excitation leads to amore » non-stationary vibrational motion. As a result, under field-free postpulse conditions, either a stretched stationary bond or a vibrating bond can be created due to the coupling between the rotational and vibrational degrees of freedom. The latter corresponds to a laser-induced breakdown of the adiabatic approximation for rotation-vibration coupling.« less

Polarization-dependent interfacial coupling modulation of ferroelectric photovoltaic effect in PZT-ZnO heterostructures

NASA Astrophysics Data System (ADS)

Pan, Dan-Feng; Bi, Gui-Feng; Chen, Guang-Yi; Zhang, Hao; Liu, Jun-Ming; Wang, Guang-Hou; Wan, Jian-Guo

2016-03-01

Recently, ferroelectric perovskite oxides have drawn much attention due to potential applications in the field of solar energy conversion. However, the power conversion efficiency of ferroelectric photovoltaic effect currently reported is far below the expectable value. One of the crucial problems lies in the two back-to-back Schottky barriers, which are formed at the ferroelectric-electrode interfaces and blocking most of photo-generated carriers to reach the outside circuit. Herein, we develop a new approach to enhance the ferroelectric photovoltaic effect by introducing the polarization-dependent interfacial coupling effect. Through inserting a semiconductor ZnO layer with spontaneous polarization into the ferroelectric ITO/PZT/Au film, a p-n junction with strong polarization-dependent interfacial coupling effect is formed. The power conversion efficiency of the heterostructure is improved by nearly two orders of magnitude and the polarization modulation ratio is increased about four times. It is demonstrated that the polarization-dependent interfacial coupling effect can give rise to a great change in band structure of the heterostructure, not only producing an aligned internal electric field but also tuning both depletion layer width and potential barrier height at PZT-ZnO interface. This work provides an efficient way in developing highly efficient ferroelectric-based solar cells and novel optoelectronic memory devices.

Polarization-dependent interfacial coupling modulation of ferroelectric photovoltaic effect in PZT-ZnO heterostructures.

PubMed

Pan, Dan-Feng; Bi, Gui-Feng; Chen, Guang-Yi; Zhang, Hao; Liu, Jun-Ming; Wang, Guang-Hou; Wan, Jian-Guo

2016-03-08

Recently, ferroelectric perovskite oxides have drawn much attention due to potential applications in the field of solar energy conversion. However, the power conversion efficiency of ferroelectric photovoltaic effect currently reported is far below the expectable value. One of the crucial problems lies in the two back-to-back Schottky barriers, which are formed at the ferroelectric-electrode interfaces and blocking most of photo-generated carriers to reach the outside circuit. Herein, we develop a new approach to enhance the ferroelectric photovoltaic effect by introducing the polarization-dependent interfacial coupling effect. Through inserting a semiconductor ZnO layer with spontaneous polarization into the ferroelectric ITO/PZT/Au film, a p-n junction with strong polarization-dependent interfacial coupling effect is formed. The power conversion efficiency of the heterostructure is improved by nearly two orders of magnitude and the polarization modulation ratio is increased about four times. It is demonstrated that the polarization-dependent interfacial coupling effect can give rise to a great change in band structure of the heterostructure, not only producing an aligned internal electric field but also tuning both depletion layer width and potential barrier height at PZT-ZnO interface. This work provides an efficient way in developing highly efficient ferroelectric-based solar cells and novel optoelectronic memory devices.

Polarization-dependent interfacial coupling modulation of ferroelectric photovoltaic effect in PZT-ZnO heterostructures

PubMed Central

Pan, Dan-Feng; Bi, Gui-Feng; Chen, Guang-Yi; Zhang, Hao; Liu, Jun-Ming; Wang, Guang-Hou; Wan, Jian-Guo

2016-01-01

Recently, ferroelectric perovskite oxides have drawn much attention due to potential applications in the field of solar energy conversion. However, the power conversion efficiency of ferroelectric photovoltaic effect currently reported is far below the expectable value. One of the crucial problems lies in the two back-to-back Schottky barriers, which are formed at the ferroelectric-electrode interfaces and blocking most of photo-generated carriers to reach the outside circuit. Herein, we develop a new approach to enhance the ferroelectric photovoltaic effect by introducing the polarization-dependent interfacial coupling effect. Through inserting a semiconductor ZnO layer with spontaneous polarization into the ferroelectric ITO/PZT/Au film, a p-n junction with strong polarization-dependent interfacial coupling effect is formed. The power conversion efficiency of the heterostructure is improved by nearly two orders of magnitude and the polarization modulation ratio is increased about four times. It is demonstrated that the polarization-dependent interfacial coupling effect can give rise to a great change in band structure of the heterostructure, not only producing an aligned internal electric field but also tuning both depletion layer width and potential barrier height at PZT-ZnO interface. This work provides an efficient way in developing highly efficient ferroelectric-based solar cells and novel optoelectronic memory devices. PMID:26954833

Excitons in Potassium Bromide: A Study using Embedded Time-dependent Density Functional Theory and Equation-of-Motion Coupled Cluster Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Govind, Niranjan; Sushko, Petr V.; Hess, Wayne P.

2009-03-05

We present a study of the electronic excitations in insulating materials using an embedded- cluster method. The excited states of the embedded cluster are studied systematically using time-dependent density functional theory (TDDFT) and high-level equation-of-motion coupled cluster (EOMCC) methods. In particular, we have used EOMCC models with singles and doubles (EOMCCSD) and two approaches which account for the e®ect of triply excited con¯gurations in non-iterative and iterative fashions. We present calculations of the lowest surface excitations of the well-studied potassium bromide (KBr) system and compare our results with experiment. The bulk-surface exciton shift is also calculated at the TDDFT levelmore » and compared with experiment.« less

Evidence of an Improper Displacive Phase Transition in Cd2 Re2 O7 via Time-Resolved Coherent Phonon Spectroscopy

NASA Astrophysics Data System (ADS)

Harter, J. W.; Kennes, D. M.; Chu, H.; de la Torre, A.; Zhao, Z. Y.; Yan, J.-Q.; Mandrus, D. G.; Millis, A. J.; Hsieh, D.

2018-01-01

We have used a combination of ultrafast coherent phonon spectroscopy, ultrafast thermometry, and time-dependent Landau theory to study the inversion symmetry breaking phase transition at Tc=200 K in the strongly spin-orbit coupled correlated metal Cd2 Re2 O7 . We establish that the structural distortion at Tc is a secondary effect through the absence of any softening of its associated phonon mode, which supports a purely electronically driven mechanism. However, the phonon lifetime exhibits an anomalously strong temperature dependence that decreases linearly to zero near Tc. We show that this behavior naturally explains the spurious appearance of phonon softening in previous Raman spectroscopy experiments and should be a prevalent feature of correlated electron systems with linearly coupled order parameters.

Interlayer‐State‐Coupling Dependent Ultrafast Charge Transfer in MoS2/WS2 Bilayers

PubMed Central

Zhang, Jin; Hong, Hao; Lian, Chao; Ma, Wei; Xu, Xiaozhi; Zhou, Xu; Fu, Huixia

2017-01-01

Light‐induced interlayer ultrafast charge transfer in 2D heterostructures provides a new platform for optoelectronic and photovoltaic applications. The charge separation process is generally hypothesized to be dependent on the interlayer stackings and interactions, however, the quantitative characteristic and detailed mechanism remain elusive. Here, a systematical study on the interlayer charge transfer in model MoS2/WS2 bilayer system with variable stacking configurations by time‐dependent density functional theory methods is demonstrated. The results show that the slight change of interlayer geometry can significantly modulate the charge transfer time from 100 fs to 1 ps scale. Detailed analysis further reveals that the transfer rate in MoS2/WS2 bilayers is governed by the electronic coupling between specific interlayer states, rather than the interlayer distances, and follows a universal dependence on the state‐coupling strength. The results establish the interlayer stacking as an effective freedom to control ultrafast charge transfer dynamics in 2D heterostructures and facilitate their future applications in optoelectronics and light harvesting. PMID:28932669

Determination of the electromechanical coupling factor of gallium orthophosphate (GaPO4) and its influence on resonance-frequency temperature dependencies.

PubMed

Nosek, Jaroslav; Pustka, Martin

2006-01-01

The quartz homeotype gallium orthophosphate (GaPO4) is a representative of piezoelectric single crystals of large electromechanical coupling factor. It is known that its coupling factor kappa26 associated with the resonators vibrating in the thickness-shear mode is approximately two times greater than that of quartz. This property increases the spacing between the series and parallel resonance frequencies of resonators, as well as the difference between the resonance frequency temperature dependencies of the fundamental and harmonic resonance frequencies of resonators vibrating in the thickness-shear mode. In this paper, the methods for determination of the coupling factor kappa26 are presented, and the computed values are compared with the measured ones. The influence of the coupling factor to the resonance-frequency temperature dependencies of the fundamental and third harmonics of selected rotated Y-cut GaPO4 resonators vibrating in the thickness-shear mode is presented. The purely elastic case for a laterally unbounded plate, which corresponds closely to the limiting case of high harmonic resonance frequency-temperature behavior was assumed for the calculations. The computed temperature coefficients for the Y-cut orientation and calculated turnover point temperatures TTP for different (YX1) orientations are presented.

The temperature dependence of the hydroxyl deuterium quadrupole coupling parameter and the rotational correlation time of the OD internuclear vector in neat ethanol-d

NASA Astrophysics Data System (ADS)

Ferris, Thomas D.; Farrar, Thomas C.

The temperature dependence of the hydroxyl proton chemical shift and deuterium quadrupolar relaxation time of neat ethanol were measured over the temperature range 190-350 K. The proton isotropic chemical shift varies from 6.2 ppm at 190 K to 4.7 ppm at 350 K. The deuterium NMR relaxation time in ethanol- d 1 varies from 6.2 ms to 309 ms over the same range. Ab initio calculations performed on various ethanol clusters ranging in size from monomer to hexamer show a linear correlation ( R 2 = 0.99) between ≤D, the deuterium quadrupole coupling parameter, and δH, the isotropic proton chemical shift in ppm relative to TMS: ≤D(kHz) = 297.60 - 15.28 δH. The temperature dependence of ≤D ranges from 199.5 kHz at 190 K to 221.4 kHz at 350 K. Using the values for ≤D and the relaxation time data, the temperature dependence of the OD rotational correlation time was found to vary from 282 ps at 190 K to 4.5 ps near the boiling point (350 K). Using these correlation times and bulk viscosity data, the Gierer-Wirtz model predicts a supramolecular cluster volume of about 317 A 3 , the approximate volume of a cyclic pentamer cluter of ethanol molecules. The cluster volume was nearly constant from 340 K to about 290 K.

Modeling Time-Dependent Behavior of Concrete Affected by Alkali Silica Reaction in Variable Environmental Conditions.

PubMed

Alnaggar, Mohammed; Di Luzio, Giovanni; Cusatis, Gianluca

2017-04-28

Alkali Silica Reaction (ASR) is known to be a serious problem for concrete worldwide, especially in high humidity and high temperature regions. ASR is a slow process that develops over years to decades and it is influenced by changes in environmental and loading conditions of the structure. The problem becomes even more complicated if one recognizes that other phenomena like creep and shrinkage are coupled with ASR. This results in synergistic mechanisms that can not be easily understood without a comprehensive computational model. In this paper, coupling between creep, shrinkage and ASR is modeled within the Lattice Discrete Particle Model (LDPM) framework. In order to achieve this, a multi-physics formulation is used to compute the evolution of temperature, humidity, cement hydration, and ASR in both space and time, which is then used within physics-based formulations of cracking, creep and shrinkage. The overall model is calibrated and validated on the basis of experimental data available in the literature. Results show that even during free expansions (zero macroscopic stress), a significant degree of coupling exists because ASR induced expansions are relaxed by meso-scale creep driven by self-equilibriated stresses at the meso-scale. This explains and highlights the importance of considering ASR and other time dependent aging and deterioration phenomena at an appropriate length scale in coupled modeling approaches.

Modeling Time-Dependent Behavior of Concrete Affected by Alkali Silica Reaction in Variable Environmental Conditions

PubMed Central

Alnaggar, Mohammed; Di Luzio, Giovanni; Cusatis, Gianluca

2017-01-01

Alkali Silica Reaction (ASR) is known to be a serious problem for concrete worldwide, especially in high humidity and high temperature regions. ASR is a slow process that develops over years to decades and it is influenced by changes in environmental and loading conditions of the structure. The problem becomes even more complicated if one recognizes that other phenomena like creep and shrinkage are coupled with ASR. This results in synergistic mechanisms that can not be easily understood without a comprehensive computational model. In this paper, coupling between creep, shrinkage and ASR is modeled within the Lattice Discrete Particle Model (LDPM) framework. In order to achieve this, a multi-physics formulation is used to compute the evolution of temperature, humidity, cement hydration, and ASR in both space and time, which is then used within physics-based formulations of cracking, creep and shrinkage. The overall model is calibrated and validated on the basis of experimental data available in the literature. Results show that even during free expansions (zero macroscopic stress), a significant degree of coupling exists because ASR induced expansions are relaxed by meso-scale creep driven by self-equilibriated stresses at the meso-scale. This explains and highlights the importance of considering ASR and other time dependent aging and deterioration phenomena at an appropriate length scale in coupled modeling approaches. PMID:28772829

Complex Riccati equations as a link between different approaches for the description of dissipative and irreversible systems

NASA Astrophysics Data System (ADS)

Schuch, Dieter

2012-08-01

Quantum mechanics is essentially described in terms of complex quantities like wave functions. The interesting point is that phase and amplitude of the complex wave function are not independent of each other, but coupled by some kind of conservation law. This coupling exists in time-independent quantum mechanics and has a counterpart in its time-dependent form. It can be traced back to a reformulation of quantum mechanics in terms of nonlinear real Ermakov equations or equivalent complex nonlinear Riccati equations, where the quadratic term in the latter equation explains the origin of the phase-amplitude coupling. Since realistic physical systems are always in contact with some kind of environment this aspect is also taken into account. In this context, different approaches for describing open quantum systems, particularly effective ones, are discussed and compared. Certain kinds of nonlinear modifications of the Schrödinger equation are discussed as well as their interrelations and their relations to linear approaches via non-unitary transformations. The modifications of the aforementioned Ermakov and Riccati equations when environmental effects are included can be determined in the time-dependent case. From formal similarities conclusions can be drawn how the equations of time-independent quantum mechanics can be modified to also incluce the enviromental aspects.

Molecular dynamics study of naturally existing cavity couplings in proteins.

PubMed

Barbany, Montserrat; Meyer, Tim; Hospital, Adam; Faustino, Ignacio; D'Abramo, Marco; Morata, Jordi; Orozco, Modesto; de la Cruz, Xavier

2015-01-01

Couplings between protein sub-structures are a common property of protein dynamics. Some of these couplings are especially interesting since they relate to function and its regulation. In this article we have studied the case of cavity couplings because cavities can host functional sites, allosteric sites, and are the locus of interactions with the cell milieu. We have divided this problem into two parts. In the first part, we have explored the presence of cavity couplings in the natural dynamics of 75 proteins, using 20 ns molecular dynamics simulations. For each of these proteins, we have obtained two trajectories around their native state. After applying a stringent filtering procedure, we found significant cavity correlations in 60% of the proteins. We analyze and discuss the structure origins of these correlations, including neighbourhood, cavity distance, etc. In the second part of our study, we have used longer simulations (≥100 ns) from the MoDEL project, to obtain a broader view of cavity couplings, particularly about their dependence on time. Using moving window computations we explored the fluctuations of cavity couplings along time, finding that these couplings could fluctuate substantially during the trajectory, reaching in several cases correlations above 0.25/0.5. In summary, we describe the structural origin and the variations with time of cavity couplings. We complete our work with a brief discussion of the biological implications of these results.

Molecular Dynamics Study of Naturally Existing Cavity Couplings in Proteins

PubMed Central

Barbany, Montserrat; Meyer, Tim; Hospital, Adam; Faustino, Ignacio; D'Abramo, Marco; Morata, Jordi; Orozco, Modesto; de la Cruz, Xavier

2015-01-01

Couplings between protein sub-structures are a common property of protein dynamics. Some of these couplings are especially interesting since they relate to function and its regulation. In this article we have studied the case of cavity couplings because cavities can host functional sites, allosteric sites, and are the locus of interactions with the cell milieu. We have divided this problem into two parts. In the first part, we have explored the presence of cavity couplings in the natural dynamics of 75 proteins, using 20 ns molecular dynamics simulations. For each of these proteins, we have obtained two trajectories around their native state. After applying a stringent filtering procedure, we found significant cavity correlations in 60% of the proteins. We analyze and discuss the structure origins of these correlations, including neighbourhood, cavity distance, etc. In the second part of our study, we have used longer simulations (≥100ns) from the MoDEL project, to obtain a broader view of cavity couplings, particularly about their dependence on time. Using moving window computations we explored the fluctuations of cavity couplings along time, finding that these couplings could fluctuate substantially during the trajectory, reaching in several cases correlations above 0.25/0.5. In summary, we describe the structural origin and the variations with time of cavity couplings. We complete our work with a brief discussion of the biological implications of these results. PMID:25816327

Modeling of price and profit in coupled-ring networks

NASA Astrophysics Data System (ADS)

Tangmongkollert, Kittiwat; Suwanna, Sujin

2016-06-01

We study the behaviors of magnetization, price, and profit profiles in ring networks in the presence of the external magnetic field. The Ising model is used to determine the state of each node, which is mapped to the buy-or-sell state in a financial market, where +1 is identified as the buying state, and -1 as the selling state. Price and profit mechanisms are modeled based on the assumption that price should increase if demand is larger than supply, and it should decrease otherwise. We find that the magnetization can be induced between two rings via coupling links, where the induced magnetization strength depends on the number of the coupling links. Consequently, the price behaves linearly with time, where its rate of change depends on the magnetization. The profit grows like a quadratic polynomial with coefficients dependent on the magnetization. If two rings have opposite direction of net spins, the price flows in the direction of the majority spins, and the network with the minority spins gets a loss in profit.

Fertility Awareness

MedlinePlus

... time the couple using only fertility awareness for birth control who does not want to get pregnant should ... period. In general, how well each type of birth control method works depends on a lot of things. ...

Synchronization of hybrid coupled reaction-diffusion neural networks with time delays via generalized intermittent control with spacial sampled-data.

PubMed

Lu, Binglong; Jiang, Haijun; Hu, Cheng; Abdurahman, Abdujelil

2018-05-04

The exponential synchronization of hybrid coupled reaction-diffusion neural networks with time delays is discussed in this article. At first, a generalized intermittent control with spacial sampled-data is introduced, which is intermittent in time and data sampling in space. This type of control strategy not only can unify the traditional periodic intermittent control and the aperiodic case, but also can lower the update rate of the controller in both temporal and spatial domains. Next, based on the designed control protocol and the Lyapunov-Krasovskii functional approach, some novel and readily verified criteria are established to guarantee the exponential synchronization of the considered networks. These criteria depend on the diffusion coefficients, coupled strengths, time delays as well as control parameters. Finally, the effectiveness of the proposed control strategy is shown by a numerical example. Copyright © 2018 Elsevier Ltd. All rights reserved.

Brachistochrone of entanglement for spin chains

NASA Astrophysics Data System (ADS)

Carlini, Alberto; Koike, Tatsuhiko

2017-03-01

We analytically investigate the role of entanglement in time-optimal state evolution as an application of the quantum brachistochrone, a general method for obtaining the optimal time-dependent Hamiltonian for reaching a target quantum state. As a model, we treat two qubits indirectly coupled through an intermediate qubit that is directly controllable, which represents a typical situation in quantum information processing. We find the time-optimal unitary evolution law and quantify residual entanglement by the two-tangle between the indirectly coupled qubits, for all possible sets of initial pure quantum states of a tripartite system. The integrals of the motion of the brachistochrone are determined by fixing the minimal time at which the residual entanglement is maximized. Entanglement plays a role for W and Greenberger-Horne-Zeilinger (GHz) initial quantum states, and for the bi-separable initial state in which the indirectly coupled qubits have a nonzero value of the 2-tangle.

Time evolution of a pair of distinguishable interacting spins subjected to controllable and noisy magnetic fields

NASA Astrophysics Data System (ADS)

Grimaudo, R.; Belousov, Yu.; Nakazato, H.; Messina, A.

2018-05-01

The quantum dynamics of a Jˆ2 =(jˆ1 +jˆ2) 2-conserving Hamiltonian model describing two coupled spins jˆ1 and jˆ2 under controllable and fluctuating time-dependent magnetic fields is investigated. Each eigenspace of Jˆ2 is dynamically invariant and the Hamiltonian of the total system restricted to any one of such (j1 +j2) - |j1 -j2 | + 1 eigenspaces, possesses the SU(2) structure of the Hamiltonian of a single fictitious spin acted upon by the total magnetic field. We show that such a reducibility holds regardless of the time dependence of the externally applied field as well as of the statistical properties of the noise, here represented as a classical fluctuating magnetic field. The time evolution of the joint transition probabilities of the two spins jˆ1 and jˆ2 between two prefixed factorized states is examined, bringing to light peculiar dynamical properties of the system under scrutiny. When the noise-induced non-unitary dynamics of the two coupled spins is properly taken into account, analytical expressions for the joint Landau-Zener transition probabilities are reported. The possibility of extending the applicability of our results to other time-dependent spin models is pointed out.

Modeling of Internet Influence on Group Emotion

NASA Astrophysics Data System (ADS)

Czaplicka, Agnieszka; Hołyst, Janusz A.

Long-range interactions are introduced to a two-dimensional model of agents with time-dependent internal variables ei = 0, ±1 corresponding to valencies of agent emotions. Effects of spontaneous emotion emergence and emotional relaxation processes are taken into account. The valence of agent i depends on valencies of its four nearest neighbors but it is also influenced by long-range interactions corresponding to social relations developed for example by Internet contacts to a randomly chosen community. Two types of such interactions are considered. In the first model the community emotional influence depends only on the sign of its temporary emotion. When the coupling parameter approaches a critical value a phase transition takes place and as result for larger coupling constants the mean group emotion of all agents is nonzero over long time periods. In the second model the community influence is proportional to magnitude of community average emotion. The ordered emotional phase was here observed for a narrow set of system parameters.

Wavelength dependent vertical integration of nanoplasmonic circuits utilizing coupled ring resonators

NASA Astrophysics Data System (ADS)

Nielsen, M.; Elezzabi, A. Y.

2013-03-01

To become a competitor to replace CMOS-electronics for next-generation data processing, signal routing, and computing, nanoplasmonic circuits will require an analogue to electrical vias in order to enable vertical connections between device layers. Vertically stacked nanoplasmonic nanoring resonators formed of Ag/Si/Ag gap plasmon waveguides were studied as a novel 3-D coupling scheme that could be monolithically integrated on a silicon platform. The vertically coupled ring resonators were evanescently coupled to 100 nm x 100 nm Ag/Si/Ag input and output waveguides and the whole device was submerged in silicon dioxide. 3-D finite difference time domain simulations were used to examine the transmission spectra of the coupling device with varying device sizes and orientations. By having the signal coupling occur over multiple trips around the resonator, coupling efficiencies as high as 39% at telecommunication wavelengths between adjacent layers were present with planar device areas of only 1.00 μm2. As the vertical signal transfer was based on coupled ring resonators, the signal transfer was inherently wavelength dependent. Changing the device size by varying the radii of the nanorings allowed for tailoring the coupled frequency spectra. The plasmonic resonator based coupling scheme was found to have quality (Q) factors of upwards of 30 at telecommunication wavelengths. By allowing different device layers to operate on different wavelengths, this coupling scheme could to lead to parallel processing in stacked independent device layers.

Ultrafast Microscopy of Spin-Momentum-Locked Surface Plasmon Polaritons.

PubMed

Dai, Yanan; Dąbrowski, Maciej; Apkarian, Vartkess A; Petek, Hrvoje

2018-06-26

Using two-photon photoemission electron microscopy (2P-PEEM) we image the polarization dependence of coupling and propagation of surface plasmon polaritons (SPPs) launched from edges of a triangular, micrometer size, single-crystalline Ag crystal by linearly or circularly polarized light. 2P-PEEM records interferences between the optical excitation field and SPPs it creates with nanofemto space-time resolution. Both the linearly and circularly polarized femtosecond light pulses excite spatially asymmetric 2PP yield distributions, which are imaged. We attribute the asymmetry for linearly polarized light to the relative alignments of the laser polarization and triangle edges, which affect the efficiency of excitation of the longitudinal component of the SPP field. For circular polarization, the asymmetry is caused by matching of the spin angular momenta (SAM) of light and the transverse SAM of SPPs. Moreover, we show that the interference patterns recorded in the 2P-PEEM images are cast by phase shifts and amplitudes for coupling of light into the longitudinal and transverse components of SPP fields. While the interference patterns depend on the excitation polarization, nanofemto movies show that the phase and group velocities of SPPs are independent of SAM of light in time-reversal invariant media. Simulations of the wave interference reproduce the polarization and spin-dependent coupling of optical pulses into SPPs.

Preheating after multifield inflation with nonminimal couplings. III. Dynamical spacetime results

NASA Astrophysics Data System (ADS)

DeCross, Matthew P.; Kaiser, David I.; Prabhu, Anirudh; Prescod-Weinstein, Chanda; Sfakianakis, Evangelos I.

2018-01-01

This paper concludes our semianalytic study of preheating in inflationary models comprised of multiple scalar fields coupled nonminimally to gravity. Using the covariant framework of paper I in this series, we extend the rigid-spacetime results of paper II by considering both the expansion of the Universe during preheating, as well as the effect of the coupled metric perturbations on particle production. The adiabatic and isocurvature perturbations are governed by different effective masses that scale differently with the nonminimal couplings and evolve differently in time. The effective mass for the adiabatic modes is dominated by contributions from the coupled metric perturbations immediately after inflation. The metric perturbations contribute an oscillating tachyonic term that enhances an early period of significant particle production for the adiabatic modes, which ceases on a time scale governed by the nonminimal couplings ξI . The effective mass of the isocurvature perturbations, on the other hand, is dominated by contributions from the fields' potential and from the curvature of the field-space manifold (in the Einstein frame), the balance between which shifts on a time scale governed by ξI. As in papers I and II, we identify distinct behavior depending on whether the nonminimal couplings are small [ξI≲O (1 ) ], intermediate [ξI˜O (1 -10 ) ], or large (ξI≥100 ).

Radiation and polarization signatures of the 3D multizone time-dependent hadronic blazar model

DOE PAGES

Zhang, Haocheng; Diltz, Chris; Bottcher, Markus

2016-09-23

We present a newly developed time-dependent three-dimensional multizone hadronic blazar emission model. By coupling a Fokker–Planck-based lepto-hadronic particle evolution code, 3DHad, with a polarization-dependent radiation transfer code, 3DPol, we are able to study the time-dependent radiation and polarization signatures of a hadronic blazar model for the first time. Our current code is limited to parameter regimes in which the hadronic γ-ray output is dominated by proton synchrotron emission, neglecting pion production. Our results demonstrate that the time-dependent flux and polarization signatures are generally dominated by the relation between the synchrotron cooling and the light-crossing timescale, which is largely independent ofmore » the exact model parameters. We find that unlike the low-energy polarization signatures, which can vary rapidly in time, the high-energy polarization signatures appear stable. Lastly, future high-energy polarimeters may be able to distinguish such signatures from the lower and more rapidly variable polarization signatures expected in leptonic models.« less

Adaptive oscillator networks with conserved overall coupling: Sequential firing and near-synchronized states

NASA Astrophysics Data System (ADS)

Picallo, Clara B.; Riecke, Hermann

2011-03-01

Motivated by recent observations in neuronal systems we investigate all-to-all networks of nonidentical oscillators with adaptive coupling. The adaptation models spike-timing-dependent plasticity in which the sum of the weights of all incoming links is conserved. We find multiple phase-locked states that fall into two classes: near-synchronized states and splay states. Among the near-synchronized states are states that oscillate with a frequency that depends only very weakly on the coupling strength and is essentially given by the frequency of one of the oscillators, which is, however, neither the fastest nor the slowest oscillator. In sufficiently large networks the adaptive coupling is found to develop effective network topologies dominated by one or two loops. This results in a multitude of stable splay states, which differ in their firing sequences. With increasing coupling strength their frequency increases linearly and the oscillators become less synchronized. The essential features of the two classes of states are captured analytically in perturbation analyses of the extended Kuramoto model used in the simulations.

Study of the charge dependence of the pion–nucleon coupling constant on the basis of data on low-energy nucleon–nucleon interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Babenko, V. A.; Petrov, N. M., E-mail: pet2@ukr.net

2016-01-15

The relation between quantities that characterize the pion–nucleon and nucleon–nucleon interactions is studied with allowance for the fact that, at low energies, nuclear forces in nucleon–nucleon systems are mediated predominantly by one-pion exchange. On the basis of the values currently recommended for the low-energy parameters of the proton–proton interaction, the charged pion–nucleon coupling constant is evaluated at g{sub π}{sup 2}±/4π = 14.55(13). This value is in perfect agreement with the experimental value of g{sub π}{sup 2}±/4π = 14.52(26) found by the Uppsala Neutron Research Group. At the same time, the value obtained for the charged pion–nucleon coupling constant differs sizablymore » from the value of the pion–nucleon coupling constant for neutral pions, which is g{sub π}{sup 2} 0/4π = 13.55(13). This is indicative of a substantial charge dependence of the coupling constant.« less

Quantum transport under ac drive from the leads: A Redfield quantum master equation approach

NASA Astrophysics Data System (ADS)

Purkayastha, Archak; Dubi, Yonatan

2017-08-01

Evaluating the time-dependent dynamics of driven open quantum systems is relevant for a theoretical description of many systems, including molecular junctions, quantum dots, cavity-QED experiments, cold atoms experiments, and more. Here, we formulate a rigorous microscopic theory of an out-of-equilibrium open quantum system of noninteracting particles on a lattice weakly coupled bilinearly to multiple baths and driven by periodically varying thermodynamic parameters like temperature and chemical potential of the bath. The particles can be either bosonic or fermionic and the lattice can be of any dimension and geometry. Based on the Redfield quantum master equation under Born-Markov approximation, we derive a linear differential equation for an equal time two point correlation matrix, sometimes also called a single-particle density matrix, from which various physical observables, for example, current, can be calculated. Various interesting physical effects, such as resonance, can be directly read off from the equations. Thus, our theory is quite general and gives quite transparent and easy-to-calculate results. We validate our theory by comparing with exact numerical simulations. We apply our method to a generic open quantum system, namely, a double quantum dot coupled to leads with modulating chemical potentials. The two most important experimentally relevant insights from this are as follows: (i) Time-dependent measurements of current for symmetric oscillating voltages (with zero instantaneous voltage bias) can point to the degree of asymmetry in the system-bath coupling and (ii) under certain conditions time-dependent currents can exceed time-averaged currents by several orders of magnitude, and can therefore be detected even when the average current is below the measurement threshold.

Charmonium-nucleon interactions from the time-dependent HAL QCD method

NASA Astrophysics Data System (ADS)

Sugiura, Takuya; Ikeda, Yoichi; Ishii, Noriyoshi

2018-03-01

The charmonium-nucleon effective central interactions have been computed by the time-dependent HAL QCD method. This gives an updated result of a previous study based on the time-independent method, which is now known to be problematic because of the difficulty in achieving the ground-state saturation. We discuss that the result is consistent with the heavy quark symmetry. No bound state is observed from the analysis of the scattering phase shift; however, this shall lead to a future search of the hidden-charm pentaquarks by considering channel-coupling effects.

Vibronic coupling simulations for linear and nonlinear optical processes: Theory

NASA Astrophysics Data System (ADS)

Silverstein, Daniel W.; Jensen, Lasse

2012-02-01

A comprehensive vibronic coupling model based on the time-dependent wavepacket approach is derived to simulate linear optical processes, such as one-photon absorbance and resonance Raman scattering, and nonlinear optical processes, such as two-photon absorbance and resonance hyper-Raman scattering. This approach is particularly well suited for combination with first-principles calculations. Expressions for the Franck-Condon terms, and non-Condon effects via the Herzberg-Teller coupling approach in the independent-mode displaced harmonic oscillator model are presented. The significance of each contribution to the different spectral types is discussed briefly.

How Internally Coupled Ears Generate Temporal and Amplitude Cues for Sound Localization.

PubMed

Vedurmudi, A P; Goulet, J; Christensen-Dalsgaard, J; Young, B A; Williams, R; van Hemmen, J L

2016-01-15

In internally coupled ears, displacement of one eardrum creates pressure waves that propagate through air-filled passages in the skull and cause displacement of the opposing eardrum, and conversely. By modeling the membrane, passages, and propagating pressure waves, we show that internally coupled ears generate unique amplitude and temporal cues for sound localization. The magnitudes of both these cues are directionally dependent. The tympanic fundamental frequency segregates a low-frequency regime with constant time-difference magnification from a high-frequency domain with considerable amplitude magnification.

SmB6 electron-phonon coupling constant from time- and angle-resolved photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Sterzi, A.; Crepaldi, A.; Cilento, F.; Manzoni, G.; Frantzeskakis, E.; Zacchigna, M.; van Heumen, E.; Huang, Y. K.; Golden, M. S.; Parmigiani, F.

2016-08-01

SmB6 is a mixed valence Kondo system resulting from the hybridization between localized f electrons and delocalized d electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. The transient electronic population above the Fermi level can be described by a time-dependent Fermi-Dirac distribution. By solving a two-temperature model that well reproduces the relaxation dynamics of the effective electronic temperature, we estimate the electron-phonon coupling constant λ to range from 0.13 ±0.03 to 0.04 ±0.01 . These extremes are obtained assuming a coupling of the electrons with either a phonon mode at 10 or 19 meV. A realistic value of the average phonon energy will give an actual value of λ within this range. Our results provide an experimental report on the material electron-phonon coupling, contributing to both the electronic transport and the macroscopic thermodynamic properties of SmB6.

The fermionic projector in a time-dependent external potential: Mass oscillation property and Hadamard states

NASA Astrophysics Data System (ADS)

Finster, Felix; Murro, Simone; Röken, Christian

2016-07-01

We give a non-perturbative construction of the fermionic projector in Minkowski space coupled to a time-dependent external potential which is smooth and decays faster than quadratically for large times. The weak and strong mass oscillation properties are proven. We show that the integral kernel of the fermionic projector is of the Hadamard form, provided that the time integral of the spatial sup-norm of the potential satisfies a suitable bound. This gives rise to an algebraic quantum field theory of Dirac fields in an external potential with a distinguished pure quasi-free Hadamard state.

Localization length and intraband scattering of excitons in linear aggregates

NASA Astrophysics Data System (ADS)

Lemaistre, J. P.

1999-07-01

A theoretical model to describe the intraband scattering of excitons in linear aggregates of finite size which exhibit strong intermolecular interactions is presented. From the calculation of the aggregate eigenstates, the localization length of excitons is evaluated for various configurations featuring physical situations like trapping, edge effects, inclusion of diagonal and/or orientational disorders. The intraband scattering is studied by considering the exciton-phonon stochastic coupling induced by the thermal bath. This coupling creates local dynamical fluctuations in the site energies which are characterized by their amplitude ( Δ) and their correlation time ( τc). Expressions of scattering rates are provided and used in a Pauli master equation to calculate the time dependence of the eigenstates populations after initial excitation of the quasi exciton-band. It is shown that the time evolution of the lowest state population as well as the Stokes shift strongly depend on τc. Comparison of the theoretical results to time-resolved experiments performed on triaryl pyrylium salts allows us to interpret the observed Stokes shift and to derive an average value of the exciton-phonon correlation time.

Dynamics of a Landau-Zener transitions in a two-level system driven by a dissipative environment

NASA Astrophysics Data System (ADS)

Ateuafack, M. E.; Diffo, J. T.; Fai, L. C.

2016-02-01

The paper investigates the effects of a two-level quantum system coupled to transversal and longitudinal dissipative environment. The time-dependent phase accumulation, LZ transition probability and entropy in the presence of fast-ohmic, sub-ohmic and super-ohmic quantum noise are derived. Analytical results are obtained in terms of temperature, dissipation strength, LZ parameter and bath cutoff frequency. The bath is observed to modify the standard occupation difference by a decaying random phase factor and also produces dephasing during the transfer of population. The dephasing characteristics or the initial non-zero decoherence rate are observed to increase in time with the bath temperature and depend on the system-bath coupling strength and cutoff frequency. These parameters are found to strongly affect the memory and thus tailor the coherence process of the system.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oliveira, Gilson F. de, E-mail: gilson@otica.ufpb.br; Lorenzo, Orlando di; Chevrollier, Martine

We study the statistics of the amplitude of the synchronization error in chaotic electronic circuits coupled through linear feedback. Depending on the coupling strength, our system exhibits three qualitatively different regimes of synchronization: weak coupling yields independent oscillations; moderate to strong coupling produces a regime of intermittent synchronization known as attractor bubbling; and stronger coupling produces complete synchronization. In the regime of moderate coupling, the probability distribution for the sizes of desynchronization events follows a power law, with an exponent that can be adjusted by changing the coupling strength. Such power-law distributions are interesting, as they appear in many complexmore » systems. However, most of the systems with such a behavior have a fixed value for the exponent of the power law, while here we present an example of a system where the exponent of the power law is easily tuned in real time.« less

Phase shifting two coupled circadian pacemakers - Implications for jet lag

NASA Technical Reports Server (NTRS)

Gander, P. H.; Kronauer, R. E.; Graeber, R. C.

1985-01-01

Two Van der Pol oscillators with reciprocal linear velocity coupling are utilized to model the response of the human circadian timing system to abrupt displacements of the environmental time cues (zeitgebers). The core temperature rhythm and sleep-wake cycle simulated by the model are examined. The relationship between the masking of circadian rhythms by environmental variables and behavioral and physiological events and the rates of resynchronization is studied. The effects of zeitgeber phase shifts and zeitgeber strength on the resynchronization rates are analyzed. The influence of intrinsic pacemakers periods and coupling strength on resynchronization are investigated. The simulated data reveal that: resynchronization after a time zone shift depends on the magnitude of the shift; the time of day of the shift has little influence on resynchronization; the strength of zeitgebers affects the rate and direction of the resynchronization; the intrinsic pacemaker periods have a significant effect on resynchronization; and increasing the coupling between the oscillators results in an increase in the rate of resynchronization. The model data are compared to transmeridian flight studies data and similar resynchronization patterns are observed.

Effective Lagrangian in de Sitter spacetime

NASA Astrophysics Data System (ADS)

Kitamoto, Hiroyuki; Kitazawa, Yoshihisa

2017-01-01

Scale invariant fluctuations of metric are a universal feature of quantum gravity in de Sitter spacetime. We construct an effective Lagrangian which summarizes their implications on local physics by integrating superhorizon metric fluctuations. It shows infrared quantum effects are local and render fundamental couplings time dependent. We impose Lorenz invariance on the effective Lagrangian as it is required by the principle of general covariance. We show that such a requirement leads to unique physical predictions by fixing the quantization ambiguities. We explain how the gauge parameter dependence of observables is canceled. In particular the relative evolution speed of the couplings are shown to be gauge invariant.

Effects of spike-time-dependent plasticity on the stochastic resonance of small-world neuronal networks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Haitao; Guo, Xinmeng; Wang, Jiang, E-mail: jiangwang@tju.edu.cn

2014-09-01

The phenomenon of stochastic resonance in Newman-Watts small-world neuronal networks is investigated when the strength of synaptic connections between neurons is adaptively adjusted by spike-time-dependent plasticity (STDP). It is shown that irrespective of the synaptic connectivity is fixed or adaptive, the phenomenon of stochastic resonance occurs. The efficiency of network stochastic resonance can be largely enhanced by STDP in the coupling process. Particularly, the resonance for adaptive coupling can reach a much larger value than that for fixed one when the noise intensity is small or intermediate. STDP with dominant depression and small temporal window ratio is more efficient formore » the transmission of weak external signal in small-world neuronal networks. In addition, we demonstrate that the effect of stochastic resonance can be further improved via fine-tuning of the average coupling strength of the adaptive network. Furthermore, the small-world topology can significantly affect stochastic resonance of excitable neuronal networks. It is found that there exists an optimal probability of adding links by which the noise-induced transmission of weak periodic signal peaks.« less

Phase-field study of ripening and rearrangement of precipitates under chemomechanical coupling

NASA Astrophysics Data System (ADS)

Schwarze, C.; Gupta, A.; Hickel, T.; Darvishi Kamachali, R.

2017-05-01

We investigate the evolution of large number of δ' coherent precipitates from a supersaturated Al-8 at.% Li alloy using large-scale phase-field simulations. A chemomechanical cross-coupling between mechanical relaxation and diffusion is taken into account by considering the dependence of elastic constants of the matrix phase onto the local concentration of solute atoms. The elastic constants as a function of solute concentration have been obtained using density functional theory calculations. As a result of the coupling, inverse ripening has been observed where the smaller precipitates grow at the expense of the larger ones. This is due to size-dependent concentration gradients existing around the precipitates. At the same time, precipitates rearrange themselves as a consequence of minimization of the total elastic energy of the system. It is found that the anisotropy of the chemomechanical coupling leads to the formation of new patterns of elasticity in the matrix thereby resulting in new alignments of the precipitates.

Optical loss analysis and parameter optimization for fan-shaped single-polarization grating coupler at wavelength of 1.3 µm band

NASA Astrophysics Data System (ADS)

Ushida, Jun; Tokushima, Masatoshi; Sobu, Yohei; Shimura, Daisuke; Yashiki, Kenichiro; Takahashi, Shigeki; Kurata, Kazuhiko

2018-05-01

Fan-shaped grating couplers (F-GCs) can be smaller than straight ones but are less efficient in general in coupling to single-mode fibers. To find a small F-GC with sufficiently high fiber-coupling characteristics, we numerically compared the dependencies of coupling efficiencies on wavelengths, the starting width of gratings, and misalignment distances among 25, 45, and 60° tapered angles of fan shape by using the three-dimensional finite-difference time domain method. A F-GC with a tapered angle of 25° exhibited the highest performances for all dependencies. The optical loss origins of F-GCs were discussed in terms of the electric field structures in them and scattering at the joint between the fan-shaped slab and channel waveguide. We fabricated an optimized 25° F-GC by using ArF photolithography, which almost exactly reproduced the optical coupling efficiency and radiation angle characteristics that were numerically expected.

Quantum action for time-dependent Ginzburg-Landau equations

NASA Astrophysics Data System (ADS)

Thompson, R. S.

1994-02-01

A gauge-invariant formula is derived for the quantum action of a dirty superconductor with strong pair breaking. The major complication is the coupling between the order parameter and the electro-chemical potential, which is most simply expressed as an imaginary time integral. The perturbative modes of excitation are identified.

Amplified fermion production from overpopulated Bose fields

NASA Astrophysics Data System (ADS)

Berges, J.; Gelfand, D.; Sexty, D.

2014-01-01

We study the real-time dynamics of fermions coupled to scalar fields in a linear sigma model, which is often employed in the context of preheating after inflation or as a low-energy effective model for quantum chromodynamics. We find a dramatic amplification of fermion production in the presence of highly occupied bosonic quanta for weak as well as strong effective couplings. For this we consider the range of validity of different methods: lattice simulations with male/female fermions, the mode functions approach and the quantum 2PI effective action with its associated kinetic theory. For strongly coupled fermions we find a rapid approach to a Fermi-Dirac distribution with time-dependent temperature and chemical potential parameters, while the bosons are still far from equilibrium.

Surface thermochemical effects on TPS-coupled aerothermodynamics in hypersonic Martian gas flow

NASA Astrophysics Data System (ADS)

Yang, Xiaofeng; Gui, Yewei; Tang, Wei; Du, Yanxia; Liu, Lei; Xiao, Guangming; Wei, Dong

2018-06-01

This paper deals with the surface thermochemical effects on TPS-coupled aerothermodynamics in hypersonic Martian gas flow. An interface condition with finite-rate thermochemistry was established to balance the three-dimensional Navier-Stokes solver and TPS thermal response solver, and a series of coupled simulations of chemical non-equilibrium aerothermodynamics and structure heat transfer with various surface catalycities were performed for hypersonic Mars entries. The analysis of surface thermochemistry reveals that the surface chemical reactions have great contribution to aerodynamic heating, and the temperature-dependence of finite-rate catalysis highly influences the evolution of the coupling aerodynamic heating in the coupling process. For fixed free stream parameters with proper catalytic excitation energy, a "leap" phenomenon of the TPS-coupled heat flux with the coupling time appears in the initial stage of the coupling process, due to the strong thermochemical effects on the TPS surface.

Dynamic properties in the four-state haploid coupled discrete-time mutation-selection model with an infinite population limit

NASA Astrophysics Data System (ADS)

Lee, Kyu Sang; Gill, Wonpyong

2017-11-01

The dynamic properties, such as the crossing time and time-dependence of the relative density of the four-state haploid coupled discrete-time mutation-selection model, were calculated with the assumption that μ ij = μ ji , where μ ij denotes the mutation rate between the sequence elements, i and j. The crossing time for s = 0 and r 23 = r 42 = 1 in the four-state model became saturated at a large fitness parameter when r 12 > 1, was scaled as a power law in the fitness parameter when r 12 = 1, and diverged when the fitness parameter approached the critical fitness parameter when r 12 < 1, where r ij = μ ij / μ 14.

Synchronization as Aggregation: Cluster Kinetics of Pulse-Coupled Oscillators.

PubMed

O'Keeffe, Kevin P; Krapivsky, P L; Strogatz, Steven H

2015-08-07

We consider models of identical pulse-coupled oscillators with global interactions. Previous work showed that under certain conditions such systems always end up in sync, but did not quantify how small clusters of synchronized oscillators progressively coalesce into larger ones. Using tools from the study of aggregation phenomena, we obtain exact results for the time-dependent distribution of cluster sizes as the system evolves from disorder to synchrony.

Neutron star dynamics under time dependent external torques

NASA Astrophysics Data System (ADS)

Alpar, M. A.; Gügercinoğlu, E.

2017-12-01

The two component model of neutron star dynamics describing the behaviour of the observed crust coupled to the superfluid interior has so far been applied to radio pulsars for which the external torques are constant on dynamical timescales. We recently solved this problem under arbitrary time dependent external torques. Our solutions pertain to internal torques that are linear in the rotation rates, as well as to the extremely non-linear internal torques of the vortex creep model. Two-component models with linear or nonlinear internal torques can now be applied to magnetars and to neutron stars in binary systems, with strong variability and timing noise. Time dependent external torques can be obtained from the observed spin-down (or spin-up) time series, \\dot Ω ≤ft( t \\right).

Phase locking of moving magnetic vortices in bridge-coupled nanodisks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Qiyuan; Zheng, Qi; Liu, Xianyin

2015-05-07

In this paper, phase locking dynamics of vortices induced by spin transfer torque in bridge-coupled nanodisks are studied by micromagnetic simulations. In the presence of the bridge coupling, the required time for the phase locking is dramatically reduced, and the phase difference between the two vortices keeps at a nonzero value after the phase locking. Moreover, the phase difference is affected significantly by bridge coupling, Oersted field distribution, nanodisk size, as well as in-plane bias magnetic field. In addition, the coupled gyrotropic frequency of vortices depends linearly on the perpendicular magnetic field. This systematic study of phase locking parameters, especiallymore » the phase difference, is important for the applications of vortex-based spin-torque nano-oscillators.« less

Electron-ion coupling in semiconductors beyond Fermi's Golden Rule [On the electron-ion coupling in semiconductors beyond Fermi's Golden Rule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medvedev, Nikita; Li, Zheng; Tkachenko, Victor

2017-01-31

In the present study, a theoretical study of electron-phonon (electron-ion) coupling rates in semiconductors driven out of equilibrium is performed. Transient change of optical coefficients reflects the band gap shrinkage in covalently bonded materials, and thus, the heating of atomic lattice. Utilizing this dependence, we test various models of electron-ion coupling. The simulation technique is based on tight-binding molecular dynamics. Our simulations with the dedicated hybrid approach (XTANT) indicate that the widely used Fermi's golden rule can break down describing material excitation on femtosecond time scales. In contrast, dynamical coupling proposed in this work yields a reasonably good agreement ofmore » simulation results with available experimental data.« less

Exciton coupling between enones: Quassinoids revisited.

PubMed

Pescitelli, Gennaro; Di Bari, Lorenzo

2017-09-01

The electronic circular dichroism (ECD) spectra of two previously reported quassinoids containing a pair of enone chromophores are revisited to gain insight into the consistency and applicability of the exciton chirality method. Our study is based on time-dependent Density Functional Theory calculations, transition and orbital analysis, and numerical exciton coupling calculations. In quassin (1) the enone/enone exciton coupling is quasi-degenerate, yielding strong rotational strengths that account for the observed ECD spectrum in the enone π-π* region. In perforalactone C (2) the nondegenerate coupling produces weak rotational strengths, and the ECD spectrum is dominated by other mechanisms of optical activity. We remark the necessity of a careful application of the nondegenerate exciton coupling method in similar cases. © 2017 Wiley Periodicals, Inc.

Skyrmions Driven by Intrinsic Magnons

NASA Astrophysics Data System (ADS)

Psaroudaki, Christina; Loss, Daniel

2018-06-01

We study the dynamics of a Skyrmion in a magnetic insulating nanowire in the presence of time-dependent oscillating magnetic field gradients. These ac fields act as a net driving force on the Skyrmion via its own intrinsic magnetic excitations. In a microscopic quantum field theory approach, we include the unavoidable coupling of the external field to the magnons, which gives rise to time-dependent dissipation for the Skyrmion. We demonstrate that the magnetic ac field induces a super-Ohmic to Ohmic crossover behavior for the Skyrmion dissipation kernels with time-dependent Ohmic terms. The ac driving of the magnon bath at resonance results in a unidirectional helical propagation of the Skyrmion in addition to the otherwise periodic bounded motion.

Local time asymmetries and toroidal field line resonances: Global magnetospheric modeling in SWMF

NASA Astrophysics Data System (ADS)

Ellington, S. M.; Moldwin, M. B.; Liemohn, M. W.

2016-03-01

We present evidence of resonant wave-wave coupling via toroidal field line resonance (FLR) signatures in the Space Weather Modeling Framework's (SWMF) global, terrestrial magnetospheric model in one simulation driven by a synthetic upstream solar wind with embedded broadband dynamic pressure fluctuations. Using in situ, stationary point measurements of the radial electric field along the 1500 LT meridian, we show that SWMF reproduces a multiharmonic, continuous distribution of FLRs exemplified by 180° phase reversals and amplitude peaks across the resonant L shells. By linearly increasing the amplitude of the dynamic pressure fluctuations in time, we observe a commensurate increase in the amplitude of the radial electric and azimuthal magnetic field fluctuations, which is consistent with the solar wind driver being the dominant source of the fast mode energy. While we find no discernible local time changes in the FLR frequencies despite large-scale, monotonic variations in the dayside equatorial mass density, in selectively sampling resonant points and examining spectral resonance widths, we observe significant radial, harmonic, and time-dependent local time asymmetries in the radial electric field amplitudes. A weak but persistent local time asymmetry exists in measures of the estimated coupling efficiency between the fast mode and toroidal wave fields, which exhibits a radial dependence consistent with the coupling strength examined by Mann et al. (1999) and Zhu and Kivelson (1988). We discuss internal structural mechanisms and additional external energy sources that may account for these asymmetries as we find that local time variations in the strength of the compressional driver are not the predominant source of the FLR amplitude asymmetries. These include resonant mode coupling of observed Kelvin-Helmholtz surface wave generated Pc5 band ultralow frequency pulsations, local time differences in local ionospheric dampening rates, and variations in azimuthal mode number, which may impact the partitioning of spectral energy between the toroidal and poloidal wave modes.

Research on robust optimization of emergency logistics network considering the time dependence characteristic

NASA Astrophysics Data System (ADS)

WANG, Qingrong; ZHU, Changfeng; LI, Ying; ZHANG, Zhengkun

2017-06-01

Considering the time dependence of emergency logistic network and complexity of the environment that the network exists in, in this paper the time dependent network optimization theory and robust discrete optimization theory are combined, and the emergency logistics dynamic network optimization model with characteristics of robustness is built to maximize the timeliness of emergency logistics. On this basis, considering the complexity of dynamic network and the time dependence of edge weight, an improved ant colony algorithm is proposed to realize the coupling of the optimization algorithm and the network time dependence and robustness. Finally, a case study has been carried out in order to testify validity of this robustness optimization model and its algorithm, and the value of different regulation factors was analyzed considering the importance of the value of the control factor in solving the optimal path. Analysis results show that this model and its algorithm above-mentioned have good timeliness and strong robustness.

Resonant characteristics and sensitivity dependency on the contact surface in QCM-micropillar-based system of coupled resonator sensors

NASA Astrophysics Data System (ADS)

Kashan, M. A. M.; Kalavally, V.; Lee, H. W.; Ramakrishnan, N.

2016-05-01

We report the characteristics and sensitivity dependence over the contact surface in coupled resonating sensors (CRSs) made of high aspect ratio resonant micropillars attached to a quartz crystal microbalance (QCM). Through experiments and simulation, we observed that when the pillars of resonant heights were placed in maximum displacement regions the resonance frequency of the QCM increased following the coupled resonance characteristics, as the pillar offered elastic loading to the QCM surface. However, the same pillars when placed in relatively lower displacement regions, in spite of their resonant dimension, offered inertial loading and resulted in a decrease in QCM resonance frequency, as the displacement amplitude was insufficient to couple the vibrations from the QCM to the pillars. Accordingly, we discovered that the coupled resonance characteristics not only depend on the resonant structure dimensions but also on the contact regions in the acoustic device. Further analysis revealed that acoustic pressure at the contact surface also influences the resonance frequency characteristics and sensitivity of the CRS. To demonstrate the significance of the present finding for sensing applications, humidity sensing is considered as the example measurand. When a sensing medium made of resonant SU-8 pillars was placed in a maximum displacement region on a QCM surface, the sensitivity increased by 14 times in comparison to a resonant sensing medium placed in a lower displacement region of a QCM surface.

One-dimensional time-dependent fluid model of a very high density low-pressure inductively coupled plasma

NASA Astrophysics Data System (ADS)

Chaplin, Vernon H.; Bellan, Paul M.

2015-12-01

A time-dependent two-fluid model has been developed to understand axial variations in the plasma parameters in a very high density (peak ne≳ 5 ×1019 m-3 ) argon inductively coupled discharge in a long 1.1 cm radius tube. The model equations are written in 1D with radial losses to the tube walls accounted for by the inclusion of effective particle and energy sink terms. The ambipolar diffusion equation and electron energy equation are solved to find the electron density ne(z ,t ) and temperature Te(z ,t ) , and the populations of the neutral argon 4s metastable, 4s resonant, and 4p excited state manifolds are calculated to determine the stepwise ionization rate and calculate radiative energy losses. The model has been validated through comparisons with Langmuir probe ion saturation current measurements; close agreement between the simulated and measured axial plasma density profiles and the initial density rise rate at each location was obtained at pA r=30 -60 mTorr . We present detailed results from calculations at 60 mTorr, including the time-dependent electron temperature, excited state populations, and energy budget within and downstream of the radiofrequency antenna.

Numerical simulations of piecewise deterministic Markov processes with an application to the stochastic Hodgkin-Huxley model.

PubMed

Ding, Shaojie; Qian, Min; Qian, Hong; Zhang, Xuejuan

2016-12-28

The stochastic Hodgkin-Huxley model is one of the best-known examples of piecewise deterministic Markov processes (PDMPs), in which the electrical potential across a cell membrane, V(t), is coupled with a mesoscopic Markov jump process representing the stochastic opening and closing of ion channels embedded in the membrane. The rates of the channel kinetics, in turn, are voltage-dependent. Due to this interdependence, an accurate and efficient sampling of the time evolution of the hybrid stochastic systems has been challenging. The current exact simulation methods require solving a voltage-dependent hitting time problem for multiple path-dependent intensity functions with random thresholds. This paper proposes a simulation algorithm that approximates an alternative representation of the exact solution by fitting the log-survival function of the inter-jump dwell time, H(t), with a piecewise linear one. The latter uses interpolation points that are chosen according to the time evolution of the H(t), as the numerical solution to the coupled ordinary differential equations of V(t) and H(t). This computational method can be applied to all PDMPs. Pathwise convergence of the approximated sample trajectories to the exact solution is proven, and error estimates are provided. Comparison with a previous algorithm that is based on piecewise constant approximation is also presented.

Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory.

PubMed

Nascimento, Daniel R; DePrince, A Eugene

2017-07-06

An explicitly time-dependent (TD) approach to equation-of-motion (EOM) coupled-cluster theory with single and double excitations (CCSD) is implemented for simulating near-edge X-ray absorption fine structure in molecular systems. The TD-EOM-CCSD absorption line shape function is given by the Fourier transform of the CCSD dipole autocorrelation function. We represent this transform by its Padé approximant, which provides converged spectra in much shorter simulation times than are required by the Fourier form. The result is a powerful framework for the blackbox simulation of broadband absorption spectra. K-edge X-ray absorption spectra for carbon, nitrogen, and oxygen in several small molecules are obtained from the real part of the absorption line shape function and are compared with experiment. The computed and experimentally obtained spectra are in good agreement; the mean unsigned error in the predicted peak positions is only 1.2 eV. We also explore the spectral signatures of protonation in these molecules.

GLAST/EAAT1-induced glutamine release via SNAT3 in Bergmann glial cells: evidence of a functional and physical coupling.

PubMed

Martínez-Lozada, Zila; Guillem, Alain M; Flores-Méndez, Marco; Hernández-Kelly, Luisa C; Vela, Carmelita; Meza, Enrique; Zepeda, Rossana C; Caba, Mario; Rodríguez, Angelina; Ortega, Arturo

2013-05-01

Glutamate, the major excitatory transmitter in the vertebrate brain, is removed from the synaptic cleft by a family of sodium-dependent glutamate transporters profusely expressed in glial cells. Once internalized, it is metabolized by glutamine synthetase to glutamine and released to the synaptic space through sodium-dependent neutral amino acid carriers of the N System (SNAT3/slc38a3/SN1, SNAT5/slc38a5/SN2). Glutamine is then taken up by neurons completing the so-called glutamate/glutamine shuttle. Despite of the fact that this coupling was described decades ago, it is only recently that the biochemical framework of this shuttle has begun to be elucidated. Using the established model of cultured cerebellar Bergmann glia cells, we sought to characterize the functional and physical coupling of glutamate uptake and glutamine release. A time-dependent Na⁺-dependent glutamate/aspartate transporter/EAAT1-induced System N-mediated glutamine release could be demonstrated. Furthermore, D-aspartate, a specific glutamate transporter ligand, was capable of enhancing the co-immunoprecipitation of Na⁺-dependent glutamate/aspartate transporter and Na⁺-dependent neutral amino acid transporter 3, whereas glutamine tended to reduce this association. Our results suggest that glial cells surrounding glutamatergic synapses may act as sensors of neuron-derived glutamate through their contribution to the neurotransmitter turnover. © 2013 International Society for Neurochemistry.

Time-dependent risks of cancer clustering among couples: a nationwide population-based cohort study in Taiwan.

PubMed

Wang, Jong-Yi; Liang, Yia-Wen; Yeh, Chun-Chen; Liu, Chiu-Shong; Wang, Chen-Yu

2018-02-21

Spousal clustering of cancer warrants attention. Whether the common environment or high-age vulnerability determines cancer clustering is unclear. The risk of clustering in couples versus non-couples is undetermined. The time to cancer clustering after the first cancer diagnosis is yet to be reported. This study investigated cancer clustering over time among couples by using nationwide data. A cohort of 5643 married couples in the 2002-2013 Taiwan National Health Insurance Research Database was identified and randomly matched with 5643 non-couple pairs through dual propensity score matching. Factors associated with clustering (both spouses with tumours) were analysed by using the Cox proportional hazard model. Propensity-matched analysis revealed that the risk of clustering of all tumours among couples (13.70%) was significantly higher than that among non-couples (11.84%) (OR=1.182, 95% CI 1.058 to 1.321, P=0.0031). The median time to clustering of all tumours and of malignant tumours was 2.92 and 2.32 years, respectively. Risk characteristics associated with clustering included high age and comorbidity. Shared environmental factors among spouses might be linked to a high incidence of cancer clustering. Cancer incidence in one spouse may signal cancer vulnerability in the other spouse. Promoting family-oriented cancer care in vulnerable families and preventing shared lifestyle risk factors for cancer are suggested. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Strong spin-orbit coupling and Zeeman spin splitting in angle dependent magnetoresistance of Bi{sub 2}Te{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dey, Rik, E-mail: rikdey@utexas.edu; Pramanik, Tanmoy; Roy, Anupam

We have studied angle dependent magnetoresistance of Bi{sub 2}Te{sub 3} thin film with field up to 9 T over 2–20 K temperatures. The perpendicular field magnetoresistance has been explained by the Hikami-Larkin-Nagaoka theory alone in a system with strong spin-orbit coupling, from which we have estimated the mean free path, the phase coherence length, and the spin-orbit relaxation time. We have obtained the out-of-plane spin-orbit relaxation time to be small and the in-plane spin-orbit relaxation time to be comparable to the momentum relaxation time. The estimation of these charge and spin transport parameters are useful for spintronics applications. For parallel field magnetoresistance,more » we have confirmed the presence of Zeeman effect which is otherwise suppressed in perpendicular field magnetoresistance due to strong spin-orbit coupling. The parallel field data have been explained using both the contributions from the Maekawa-Fukuyama localization theory for non-interacting electrons and Lee-Ramakrishnan theory of electron-electron interactions. The estimated Zeeman g-factor and the strength of Coulomb screening parameter agree well with the theory. Finally, the anisotropy in magnetoresistance with respect to angle has been described by the Hikami-Larkin-Nagaoka theory. This anisotropy can be used in anisotropic magnetic sensor applications.« less

Biexciton relaxation associated with dissociation into a surface polariton pair in semiconductor films

NASA Astrophysics Data System (ADS)

Mitsumori, Yasuyoshi; Matsuura, Shimpei; Uchiyama, Shoichi; Saito, Kentarao; Edamatsu, Keiichi; Nakayama, Masaaki; Ajiki, Hiroshi

2018-04-01

We study the biexciton relaxation process in CuCl films ranging from 6 to 200 nm. The relaxation time is measured as the dephasing time and the lifetime. We observe a unique thickness dependence of the biexciton relaxation time and also obtain an ultrafast relaxation time with a timescale as short as 100 fs, while the exciton lifetime monotonically decreases with increasing thickness. By analyzing the exciton-photon coupling energy for a surface polariton, we theoretically calculate the biexciton relaxation time as a function of the thickness. The calculated dependence qualitatively reproduces the observed relaxation time, indicating that the biexciton dissociation into a surface polariton pair is one of the major biexciton relaxation processes.

Correlating structural dynamics and catalytic activity of AgAu nanoparticles with ultrafast spectroscopy and all-atom molecular dynamics simulations.

PubMed

Ferbonink, G F; Rodrigues, T S; Dos Santos, D P; Camargo, P H C; Albuquerque, R Q; Nome, R A

2018-05-29

In this study, we investigated hollow AgAu nanoparticles with the goal of improving our understanding of the composition-dependent catalytic activity of these nanoparticles. AgAu nanoparticles were synthesized via the galvanic replacement method with controlled size and nanoparticle compositions. We studied extinction spectra with UV-Vis spectroscopy and simulations based on Mie theory and the boundary element method, and ultrafast spectroscopy measurements to characterize decay constants and the overall energy transfer dynamics as a function of AgAu composition. Electron-phonon coupling times for each composition were obtained from pump-power dependent pump-probe transients. These spectroscopic studies showed how nanoscale surface segregation, hollow interiors and porosity affect the surface plasmon resonance wavelength and fundamental electron-phonon coupling times. Analysis of the spectroscopic data was used to correlate electron-phonon coupling times to AgAu composition, and thus to surface segregation and catalytic activity. We have performed all-atom molecular dynamics simulations of model hollow AgAu core-shell nanoparticles to characterize nanoparticle stability and equilibrium structures, besides providing atomic level views of nanoparticle surface segregation. Overall, the basic atomistic and electron-lattice dynamics of core-shell AgAu nanoparticles characterized here thus aid the mechanistic understanding and performance optimization of AgAu nanoparticle catalysts.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ling Zou; Hongbin Zhang; Jess Gehin

A coupled TH/Neutronics/CRUD framework, which is able to simulate the CRUD deposits impact on CIPS phenomenon, was described in this paper. This framework includes the coupling among three essential physics, thermal-hydraulics, CRUD and neutronics. The overall framework was implemented by using the CFD software STAR-CCM+, developing CRUD codes, and using the neutronics code DeCART. The coupling was implemented by exchanging data between softwares using intermediate exchange files. A typical 3 by 3 PWR fuel pin problem was solved under this framework. The problem was solved in a 12 months length period of time. Time-dependent solutions were provided, including CRUD depositsmore » inventory and their distributions on fuels, boron hideout amount inside CRUD deposits, as well as power shape changing over time. The results clearly showed the power shape suppression in regions where CRUD deposits exist, which is a strong indication of CIPS phenomenon.« less

Ocean-Atmosphere Coupling Processes Affecting Predictability in the Climate System

NASA Astrophysics Data System (ADS)

Miller, A. J.; Subramanian, A. C.; Seo, H.; Eliashiv, J. D.

2017-12-01

Predictions of the ocean and atmosphere are often sensitive to coupling at the air-sea interface in ways that depend on the temporal and spatial scales of the target fields. We will discuss several aspects of these types of coupled interactions including oceanic and atmospheric forecast applications. For oceanic mesoscale eddies, the coupling can influence the energetics of the oceanic flow itself. For Madden-Julian Oscillation onset, the coupling timestep should resolve the diurnal cycle to properly raise time-mean SST and latent heat flux prior to deep convection. For Atmospheric River events, the evolving SST field can alter the trajectory and intensity of precipitation anomalies along the California coast. Improvements in predictions will also rely on identifying and alleviating sources of biases in the climate states of the coupled system. Surprisingly, forecast skill can also be improved by enhancing stochastic variability in the atmospheric component of coupled models as found in a multiscale ensemble modeling approach.

Dissipative dynamics at conical intersections: simulations with the hierarchy equations of motion method.

PubMed

Chen, Lipeng; Gelin, Maxim F; Chernyak, Vladimir Y; Domcke, Wolfgang; Zhao, Yang

2016-12-16

The effect of a dissipative environment on the ultrafast nonadiabatic dynamics at conical intersections is analyzed for a two-state two-mode model chosen to represent the S 2 (ππ*)-S 1 (nπ*) conical intersection in pyrazine (the system) which is bilinearly coupled to infinitely many harmonic oscillators in thermal equilibrium (the bath). The system-bath coupling is modeled by the Drude spectral function. The equation of motion for the reduced density matrix of the system is solved numerically exactly with the hierarchy equation of motion method using graphics-processor-unit (GPU) technology. The simulations are valid for arbitrary strength of the system-bath coupling and arbitrary bath memory relaxation time. The present computational studies overcome the limitations of weak system-bath coupling and short memory relaxation time inherent in previous simulations based on multi-level Redfield theory [A. Kühl and W. Domcke, J. Chem. Phys. 2002, 116, 263]. Time evolutions of electronic state populations and time-dependent reduced probability densities of the coupling and tuning modes of the conical intersection have been obtained. It is found that even weak coupling to the bath effectively suppresses the irregular fluctuations of the electronic populations of the isolated two-mode conical intersection. While the population of the upper adiabatic electronic state (S 2 ) is very efficiently quenched by the system-bath coupling, the population of the diabatic ππ* electronic state exhibits long-lived oscillations driven by coherent motion of the tuning mode. Counterintuitively, the coupling to the bath can lead to an enhanced lifetime of the coherence of the tuning mode as a result of effective damping of the highly excited coupling mode, which reduces the strong mode-mode coupling inherent to the conical intersection. The present results extend previous studies of the dissipative dynamics at conical intersections to the nonperturbative regime of system-bath coupling. They pave the way for future first-principles simulations of femtosecond time-resolved four-wave-mixing spectra of chromophores in condensed phases which are nonperturbative in the system dynamics, the system-bath coupling as well as the field-matter coupling.

Effect of Coriolis coupling in chemical reaction dynamics.

PubMed

Chu, Tian-Shu; Han, Ke-Li

2008-05-14

It is essential to evaluate the role of Coriolis coupling effect in molecular reaction dynamics. Here we consider Coriolis coupling effect in quantum reactive scattering calculations in the context of both adiabaticity and nonadiabaticity, with particular emphasis on examining the role of Coriolis coupling effect in reaction dynamics of triatomic molecular systems. We present the results of our own calculations by the time-dependent quantum wave packet approach for H + D2 and F(2P3/2,2P1/2) + H2 as well as for the ion-molecule collisions of He + H2 +, D(-) + H2, H(-) + D2, and D+ + H2, after reviewing in detail other related research efforts on this issue.

Coriolis coupling and nonadiabaticity in chemical reaction dynamics.

PubMed

Wu, Emilia L

2010-12-01

The nonadiabatic quantum dynamics and Coriolis coupling effect in chemical reaction have been reviewed, with emphasis on recent progress in using the time-dependent wave packet approach to study the Coriolis coupling and nonadiabatic effects, which was done by K. L. Han and his group. Several typical chemical reactions, for example, H+D(2), F+H(2)/D(2)/HD, D(+)+H(2), O+H(2), and He+H(2)(+), have been discussed. One can find that there is a significant role of Coriolis coupling in reaction dynamics for the ion-molecule collisions of D(+)+H(2), Ne+H(2)(+), and He+H(2)(+) in both adiabatic and nonadiabatic context. © 2010 Wiley Periodicals, Inc.

Adaptive Control of Synchronization in Delay-Coupled Heterogeneous Networks of FitzHugh-Nagumo Nodes

NASA Astrophysics Data System (ADS)

Plotnikov, S. A.; Lehnert, J.; Fradkov, A. L.; Schöll, E.

We study synchronization in delay-coupled neural networks of heterogeneous nodes. It is well known that heterogeneities in the nodes hinder synchronization when becoming too large. We show that an adaptive tuning of the overall coupling strength can be used to counteract the effect of the heterogeneity. Our adaptive controller is demonstrated on ring networks of FitzHugh-Nagumo systems which are paradigmatic for excitable dynamics but can also — depending on the system parameters — exhibit self-sustained periodic firing. We show that the adaptively tuned time-delayed coupling enables synchronization even if parameter heterogeneities are so large that excitable nodes coexist with oscillatory ones.

Quantum thermodynamics of the resonant-level model with driven system-bath coupling

NASA Astrophysics Data System (ADS)

Haughian, Patrick; Esposito, Massimiliano; Schmidt, Thomas L.

2018-02-01

We study nonequilibrium thermodynamics in a fermionic resonant-level model with arbitrary coupling strength to a fermionic bath, taking the wide-band limit. In contrast to previous theories, we consider a system where both the level energy and the coupling strength depend explicitly on time. We find that, even in this generalized model, consistent thermodynamic laws can be obtained, up to the second order in the drive speed, by splitting the coupling energy symmetrically between system and bath. We define observables for the system energy, work, heat, and entropy, and calculate them using nonequilibrium Green's functions. We find that the observables fulfill the laws of thermodynamics, and connect smoothly to the known equilibrium results.

Direct evaluation of boson dynamics via finite-temperature time-dependent variation with multiple Davydov states.

PubMed

Fujihashi, Yuta; Wang, Lu; Zhao, Yang

2017-12-21

Recent advances in quantum optics allow for exploration of boson dynamics in dissipative many-body systems. However, the traditional descriptions of quantum dissipation using reduced density matrices are unable to capture explicit information of bath dynamics. In this work, efficient evaluation of boson dynamics is demonstrated by combining the multiple Davydov Ansatz with finite-temperature time-dependent variation, going beyond what state-of-the-art density matrix approaches are capable to offer for coupled electron-boson systems. To this end, applications are made to excitation energy transfer in photosynthetic systems, singlet fission in organic thin films, and circuit quantum electrodynamics in superconducting devices. Thanks to the multiple Davydov Ansatz, our analysis of boson dynamics leads to clear revelation of boson modes strongly coupled to electronic states, as well as in-depth description of polaron creation and destruction in the presence of thermal fluctuations.

Landauer-Büttiker Approach to Strongly Coupled Quantum Thermodynamics: Inside-Outside Duality of Entropy Evolution

NASA Astrophysics Data System (ADS)

Bruch, Anton; Lewenkopf, Caio; von Oppen, Felix

2018-03-01

We develop a Landauer-Büttiker theory of entropy evolution in time-dependent, strongly coupled electron systems. The formalism naturally avoids the problem of the system-bath distinction by defining the entropy current in the attached leads. This current can then be used to infer changes of the entropy of the system which we refer to as the inside-outside duality. We carry out this program in an adiabatic expansion up to first order beyond the quasistatic limit. When combined with particle and energy currents, as well as the work required to change an external potential, our formalism provides a full thermodynamic description, applicable to arbitrary noninteracting electron systems in contact with reservoirs. This provides a clear understanding of the relation between heat and entropy currents generated by time-dependent potentials and their connection to the occurring dissipation.

Time-dependent broken-symmetry density functional theory simulation of the optical response of entangled paramagnetic defects: Color centers in lithium fluoride

NASA Astrophysics Data System (ADS)

Janesko, Benjamin G.

2018-02-01

Parameter-free atomistic simulations of entangled solid-state paramagnetic defects may aid in the rational design of devices for quantum information science. This work applies time-dependent density functional theory (TDDFT) embedded-cluster simulations to a prototype entangled-defect system, namely two adjacent singlet-coupled F color centers in lithium fluoride. TDDFT calculations accurately reproduce the experimental visible absorption of both isolated and coupled F centers. The most accurate results are obtained by combining spin symmetry breaking to simulate strong correlation, a large fraction of exact (Hartree-Fock-like) exchange to minimize the defect electrons' self-interaction error, and a standard semilocal approximation for dynamical correlations between the defect electrons and the surrounding ionic lattice. These results motivate application of two-reference correlated ab initio approximations to the M-center, and application of TDDFT in parameter-free simulations of more complex entangled paramagnetic defect architectures.

Adiabatic Coupling Constant of Nitrobenzene- n-Alkane Critical Mixtures. Evidence from Ultrasonic Spectra and Thermodynamic Data

NASA Astrophysics Data System (ADS)

Mirzaev, Sirojiddin Z.; Kaatze, Udo

2016-09-01

Ultrasonic spectra of mixtures of nitrobenzene with n-alkanes, from n-hexane to n-nonane, are analyzed. They feature up to two Debye-type relaxation terms with discrete relaxation times and, near the critical point, an additional relaxation term due to the fluctuations in the local concentration. The latter can be well represented by the dynamic scaling theory. Its amplitude parameter reveals the adiabatic coupling constant of the mixtures of critical composition. The dependence of this thermodynamic parameter upon the length of the n-alkanes corresponds to that of the slope in the pressure dependence of the critical temperature and is thus taken another confirmation of the dynamic scaling model. The change in the variation of the coupling constant and of several other mixture parameters with alkane length probably reflects a structural change in the nitrobenzene- n-alkane mixtures when the number of carbon atoms per alkane exceeds eight.

Tuning charge transport in pentacene thin-film transistors using the strain-induced electron-phonon coupling modification

NASA Astrophysics Data System (ADS)

Lin, Yow-Jon; Chang, Hsing-Cheng; Liu, Day-Shan

2015-03-01

Tuning charge transport in the bottom-contact pentacene-based organic thin-film transistors (OTFTs) using a MoO x capping layer that serves to the electron-phonon coupling modification is reported. For OTFTs with a MoO x front gate, the enhanced field-effect carrier mobility is investigated. The time domain data confirm the electron-trapping model. To understand the origin of a mobility enhancement, an analysis of the temperature-dependent Hall-effect characteristics is presented. Similarly, the Hall-effect carrier mobility was dramatically increased by capping a MoO x layer on the pentacene front surface. However, the carrier concentration is not affected. The Hall-effect carrier mobility exhibits strong temperature dependence, indicating the dominance of tunneling (hopping) at low (high) temperatures. A mobility enhancement is considered to come from the electron-phonon coupling modification that results from the contribution of long-lifetime electron trapping.

Triggering up states in all-to-all coupled neurons

NASA Astrophysics Data System (ADS)

Ngo, H.-V. V.; Köhler, J.; Mayer, J.; Claussen, J. C.; Schuster, H. G.

2010-03-01

Slow-wave sleep in mammalians is characterized by a change of large-scale cortical activity currently paraphrased as cortical Up/Down states. A recent experiment demonstrated a bistable collective behaviour in ferret slices, with the remarkable property that the Up states can be switched on and off with pulses, or excitations, of same polarity; whereby the effect of the second pulse significantly depends on the time interval between the pulses. Here we present a simple time-discrete model of a neural network that exhibits this type of behaviour, as well as quantitatively reproduces the time dependence found in the experiments.

A constitutive material model for nonlinear finite element structural analysis using an iterative matrix approach

NASA Technical Reports Server (NTRS)

Koenig, Herbert A.; Chan, Kwai S.; Cassenti, Brice N.; Weber, Richard

1988-01-01

A unified numerical method for the integration of stiff time dependent constitutive equations is presented. The solution process is directly applied to a constitutive model proposed by Bodner. The theory confronts time dependent inelastic behavior coupled with both isotropic hardening and directional hardening behaviors. Predicted stress-strain responses from this model are compared to experimental data from cyclic tests on uniaxial specimens. An algorithm is developed for the efficient integration of the Bodner flow equation. A comparison is made with the Euler integration method. An analysis of computational time is presented for the three algorithms.

Control of dephasing in rotationally hot molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bartram, David; Ivanov, Misha

We consider a rotationally hot diatomic molecule as an example of an open quantum system, where molecular vibrational wave packets are subject to dephasing due to rovibrational coupling. We report analytical and numerical results addressing whether the dephasing rate can be controlled by adjustment of the initial wave packet phases. It appears that over long time scales, phase-only control is not possible, but for earlier time scales the possibility of phase-only control of dephasing remains. In addition, we point out that the time dependence of the dephasing process depends significantly upon the degeneracy of the rotational environment states.

Quadratic time dependent Hamiltonians and separation of variables

NASA Astrophysics Data System (ADS)

Anzaldo-Meneses, A.

2017-06-01

Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green's function is obtained and a comparison with the classical Hamilton-Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei-Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü-Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems.

Experimental investigation of spin-orbit coupling in n-type PbTe quantum wells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peres, M. L.; Monteiro, H. S.; Castro, S. de

2014-03-07

The spin-orbit coupling is studied experimentally in two PbTe quantum wells by means of weak antilocalization effect. Using the Hikami-Larkin-Nagaoka model through a computational global optimization procedure, we extracted the spin-orbit and inelastic scattering times and estimated the strength of the zero field spin-splitting energy Δ{sub so}. The values of Δ{sub so} are linearly dependent on the Fermi wave vector (k{sub F}) confirming theoretical predictions of the existence of large spin-orbit coupling in IV-VI quantum wells originated from pure Rashba effect.

Manifestation of two-channel nonlocal spin transport in the shapes of Hanle curves

NASA Astrophysics Data System (ADS)

Roundy, R. C.; Prestgard, M. C.; Tiwari, A.; Mishchenko, E. G.; Raikh, M. E.

2014-09-01

The dynamics of charge-density fluctuations in a system of two tunnel-coupled wires contains two diffusion modes with dispersion iω =Dq2 and iω =Dq2+2/τt, where D is the diffusion coefficient and τt is the tunneling time between the wires. The dispersion of corresponding spin-density modes depends on magnetic field as a result of the spin precession with Larmour frequency ωL. The presence of two modes affects the shape of the Hanle curve describing the spin-dependent resistance R between the ferromagnetic strips covering the nonmagnetic wires. We demonstrate that the relative shapes of the R (ωL) curves, one measured within the same wire and the other measured between the wires, depends on the ratio τt/τs, where τs is the spin-diffusion time. If the coupling between the wires is local, i.e., only at the point x =0, then the difference of the shapes of intrawire and interwire Hanle curves reflects the difference in statistics of diffusive trajectories, which "switch" or do not switch near x =0. When one of the coupled wires is bent into a loop with a radius a, the shape of the Hanle curve reflects the statistics of random walks on the loop. This statistics is governed by the dimensionless parameter a /√Dτs .

Deformation dependence of proton decay rates and angular distributions in a time-dependent approach

NASA Astrophysics Data System (ADS)

Carjan, N.; Talou, P.; Strottman, D.

1998-12-01

A new, time-dependent, approach to proton decay from axially symmetric deformed nuclei is presented. The two-dimensional time-dependent Schrödinger equation for the interaction between the emitted proton and the rest of the nucleus is solved numerically for well defined initial quasi-stationary proton states. Applied to the hypothetical proton emission from excited states in deformed nuclei of 208Pb, this approach shows that the problem cannot be reduced to one dimension. There are in general more than one directions of emission with wide distributions around them, determined mainly by the quantum numbers of the initial wave function rather than by the potential landscape. The distribution of the "residual" angular momentum and its variation in time play a major role in the determination of the decay rate. In a couple of cases, no exponential decay was found during the calculated time evolution (2×10-21 sec) although more than half of the wave function escaped during that time.

1D-3D hybrid modeling-from multi-compartment models to full resolution models in space and time.

PubMed

Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M; Queisser, Gillian

2014-01-01

Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator-which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to the emerging field of fully resolved, highly detailed 3D-modeling approaches. We present the developed general framework for 1D/3D hybrid modeling and apply it to investigate electrically active neurons and their intracellular spatio-temporal calcium dynamics.

1D-3D hybrid modeling—from multi-compartment models to full resolution models in space and time

PubMed Central

Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M.; Queisser, Gillian

2014-01-01

Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator—which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to the emerging field of fully resolved, highly detailed 3D-modeling approaches. We present the developed general framework for 1D/3D hybrid modeling and apply it to investigate electrically active neurons and their intracellular spatio-temporal calcium dynamics. PMID:25120463

Wave-packet approach to transport properties of carrier coupled with intermolecular and intramolecular vibrations of organic semiconductors

NASA Astrophysics Data System (ADS)

Ishii, Hiroyuki; Honma, Keisuke; Kobayashi, Nobuhiko; Hirose, Kenji

2012-06-01

We present a methodology to study the charge-transport properties of organic semiconductors by the time-dependent wave-packet diffusion method, taking the polaron effects into account. As an example, we investigate the transport properties of single-crystal pentacene organic semiconductors coupled with inter- and intramolecular vibrations within the mixed Holstein and Peierls model, which describes both hopping and bandlike transport behaviors due to small and large polaron formations. Taking into account static disorders, which inevitably exist in the molecular crystals, we present the temperature dependence of charge-transport properties in competition among the thermal fluctuation of molecular motions, the polaron formation, and the static disorders.

Directional multimode coupler for planar magnonics: Side-coupled magnetic stripes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sadovnikov, A. V., E-mail: sadovnikovav@gmail.com; Nikitov, S. A.; Kotel'nikov Institute of Radioengineering and Electronics, Russian Academy of Sciences, Moscow 125009

We experimentally demonstrate spin waves coupling in two laterally adjacent magnetic stripes. By the means of Brillouin light scattering spectroscopy, we show that the coupling efficiency depends both on the magnonic waveguides' geometry and the characteristics of spin-wave modes. In particular, the lateral confinement of coupled yttrium-iron-garnet stripes enables the possibility of control over the spin-wave propagation characteristics. Numerical simulations (in time domain and frequency domain) reveal the nature of intermodal coupling between two magnonic stripes. The proposed topology of multimode magnonic coupler can be utilized as a building block for fabrication of integrated parallel functional and logic devices suchmore » as the frequency selective directional coupler or tunable splitter, enabling a number of potential applications for planar magnonics.« less

Hamiltonian mean-field model: effect of temporal perturbation in coupling matrix

NASA Astrophysics Data System (ADS)

Bhadra, Nivedita; Patra, Soumen K.

2018-05-01

The Hamiltonian mean-field (HMF) model is a system of fully coupled rotators which exhibits a second-order phase transition at some critical energy in its canonical ensemble. We investigate the case where the interaction between the rotors is governed by a time-dependent coupling matrix. Our numerical study reveals a shift in the critical point due to the temporal modulation. The shift in the critical point is shown to be independent of the modulation frequency above some threshold value, whereas the impact of the amplitude of modulation is dominant. In the microcanonical ensemble, the system with constant coupling reaches a quasi-stationary state (QSS) at an energy near the critical point. Our result indicates that the QSS subsists in presence of such temporal modulation of the coupling parameter.

Couples at risk for transmission of alcoholism: protective influences.

PubMed

Bennett, L A; Wolin, S J; Reiss, D; Teitelbaum, M A

1987-03-01

A two-generation, sociocultural model of the transmission of alcoholism in families was operationalized and tested. Sixty-eight married children of alcoholic parents and their spouses were interviewed regarding dinner-time and holiday ritual practices in their families of origin, and heritage and ritual practices in the couples' current generation. Coders rated transcribed interviews along 14 theory-derived predictor variables, nine for the family of origin and five for the current nuclear family. Multiple regression analysis was applied in a two-step hierarchical method, with the dependent variable being transmission of alcoholism to the couple. The 14 predictor variables contributed significantly (p less than .01) to the couple's alcoholism outcome. A general theme of selective disengagement and reengagement for couples in families at risk for alcoholism recurrence is discussed.

Theory of electric creep and electromechanical coupling with domain evolution for non-poled and fully poled ferroelectric ceramics

PubMed Central

Xia, Xiaodong; Wang, Yang; Zhong, Zheng

2016-01-01

Unlike mechanical creep with inelastic deformation, electric creep with domain evolution is a rarely studied subject. In this paper, we present a theory of electric creep and related electromechanical coupling for both non-poled and fully poled ferroelectric ceramics. We consider electric creep to be a time-dependent process, with an initial condition lying on the D (electric displacement) versus E (electric field) hysteresis loop. Both processes are shown to share the same Gibbs free energy and thermodynamic driving force, but relative to creep, the hysteresis loop is just a field-dependent process. With this view, we develop a theory with a single thermodynamic driving force but with two separate kinetic equations, one for the field-dependent loops in terms of a Lorentzian-like function and the other for the time-dependent D in terms of a dissipation potential. We use the 0°–90° and then 90°–180° switches to attain these goals. It is demonstrated that the calculated results are in broad agreement with two sets of experiments, one for a non-poled PIC-151 and the other for a fully poled PZT-5A. The theory also shows that creep polarization tends to reach a saturation state with time and that the saturated polarization has its maximum at the coercive field. PMID:27843406

Comparisons of Solar Wind Coupling Parameters with Auroral Energy Deposition Rates

NASA Technical Reports Server (NTRS)

Elsen, R.; Brittnacher, M. J.; Fillingim, M. O.; Parks, G. K.; Germany G. A.; Spann, J. F., Jr.

1997-01-01

Measurement of the global rate of energy deposition in the ionosphere via auroral particle precipitation is one of the primary goals of the Polar UVI program and is an important component of the ISTP program. The instantaneous rate of energy deposition for the entire month of January 1997 has been calculated by applying models to the UVI images and is presented by Fillingim et al. In this session. A number of parameters that predict the rate of coupling of solar wind energy into the magnetosphere have been proposed in the last few decades. Some of these parameters, such as the epsilon parameter of Perrault and Akasofu, depend on the instantaneous values in the solar wind. Other parameters depend on the integrated values of solar wind parameters, especially IMF Bz, e.g. applied flux which predicts the net transfer of magnetic flux to the tail. While these parameters have often been used successfully with substorm studies, their validity in terms of global energy input has not yet been ascertained, largely because data such as that supplied by the ISTP program was lacking. We have calculated these and other energy coupling parameters for January 1997 using solar wind data provided by WIND and other solar wind monitors. The rates of energy input predicted by these parameters are compared to those measured through UVI data and correlations are sought. Whether these parameters are better at providing an instantaneous rate of energy input or an average input over some time period is addressed. We also study if either type of parameter may provide better correlations if a time delay is introduced; if so, this time delay may provide a characteristic time for energy transport in the coupled solar wind-magnetosphere-ionosphere system.

Using time-dependent density functional theory in real time for calculating electronic transport

NASA Astrophysics Data System (ADS)

Schaffhauser, Philipp; Kümmel, Stephan

2016-01-01

We present a scheme for calculating electronic transport within the propagation approach to time-dependent density functional theory. Our scheme is based on solving the time-dependent Kohn-Sham equations on grids in real space and real time for a finite system. We use absorbing and antiabsorbing boundaries for simulating the coupling to a source and a drain. The boundaries are designed to minimize the effects of quantum-mechanical reflections and electrical polarization build-up, which are the major obstacles when calculating transport by applying an external bias to a finite system. We show that the scheme can readily be applied to real molecules by calculating the current through a conjugated molecule as a function of time. By comparing to literature results for the conjugated molecule and to analytic results for a one-dimensional model system we demonstrate the reliability of the concept.

Numerical Simulation of Interaction of Human Vocal Folds and Fluid Flow

NASA Astrophysics Data System (ADS)

Kosík, A.; Feistauer, M.; Horáček, J.; Sváček, P.

Our goal is to simulate airflow in human vocal folds and their flow-induced vibrations. We consider two-dimensional viscous incompressible flow in a time-dependent domain. The fluid flow is described by the Navier-Stokes equations in the arbitrary Lagrangian-Eulerian formulation. The flow problem is coupled with the elastic behaviour of the solid bodies. The developed solution of the coupled problem based on the finite element method is demonstrated by numerical experiments.

Enhanced Spontaneous Emission of Bloch Oscillation Radiation from a Single Energy Band

DTIC Science & Technology

2006-06-30

ignore interband tunneling , spon- taneous photon emission occurs as the Bloch electron inter- acts with the quantum radiation field; the emission occurs... interband coupling 17 and electron intraband scattering are ignored. Therefore, the quantum dynamics is described by the time-dependent Schrödinger...single band “n0” of a periodic crystal with energy n0K; the ef- fects of interband coupling15 and electron intraband scatter- ing are ignored

Optimizing phonon space in the phonon-coupling model

NASA Astrophysics Data System (ADS)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

2017-08-01

We present a new scheme to select the most relevant phonons in the phonon-coupling model, named here the time-blocking approximation (TBA). The new criterion, based on the phonon-nucleon coupling strengths rather than on B (E L ) values, is more selective and thus produces much smaller phonon spaces in the TBA. This is beneficial in two respects: first, it curbs the computational cost, and second, it reduces the danger of double counting in the expansion basis of the TBA. We use here the TBA in a form where the coupling strength is regularized to keep the given Hartree-Fock ground state stable. The scheme is implemented in a random-phase approximation and TBA code based on the Skyrme energy functional. We first explore carefully the cutoff dependence with the new criterion and can work out a natural (optimal) cutoff parameter. Then we use the freshly developed and tested scheme for a survey of giant resonances and low-lying collective states in six doubly magic nuclei looking also at the dependence of the results when varying the Skyrme parametrization.

Quantum Yield of Single Surface Plasmons Generated by a Quantum Dot Coupled with a Silver Nanowire.

PubMed

Li, Qiang; Wei, Hong; Xu, Hongxing

2015-12-09

The interactions between surface plasmons (SPs) in metal nanostructures and excitons in quantum emitters (QEs) lead to many interesting phenomena and potential applications that are strongly dependent on the quantum yield of SPs. The difficulty in distinguishing all the possible exciton recombination channels hinders the experimental determination of SP quantum yield. Here, we experimentally measured for the first time the quantum yield of single SPs generated by the exciton-plasmon coupling in a system composed of a single quantum dot and a silver nanowire (NW). By utilizing the SP guiding property of the NW, the decay rates of all the exciton recombination channels, i.e., direct free space radiation channel, SP generation channel, and nonradiative damping channel, are quantitatively obtained. It is determined that the optimum emitter-NW coupling distance for the largest SP quantum yield is about 10 nm, resulting from the different distance-dependent decay rates of the three channels. These results are important for manipulating the coupling between plasmonic nanostructures and QEs and developing on-chip quantum plasmonic devices for potential nanophotonic and quantum information applications.

Coupling of small, low-loss hexapole mode with photonic crystal slab waveguide mode.

PubMed

Kim, Guk-Hyun; Lee, Yong-Hee; Shinya, Akihiko; Notomi, Masaya

2004-12-27

Coupling characteristics between the single-cell hexapole mode and the triangular-lattice photonic crystal slab waveguide mode is studied by the finite-difference time-domain method. The single-cell hexapole mode has a high quality factor (Q) of 3.3Chi106 and a small modal volume of 1.18(lambda/n)3. Based on the symmetry, three representative types of coupling geometries (shoulder-couple, butt-couple and side-couple structures) are selected and tested. The coupling efficiency shows strong dependence on the transverse overlap of the cavity mode and the waveguide mode over the region of the waveguide. The shoulder-couple structure shows best coupling characteristics among three tested structures. For example, two shouldercouple waveguides and a hexapole cavity result in a high performance resonant-tunneling-filter with Q of 9.7Chi105 and transmittance of 0.48. In the side-couple structure, the coupling strength is much weaker than that of the shoulder-couple structure because of the poor spatial overlap between the mode profiles. In the direct-couple structure, the energy transfer from the cavity to the waveguide is prohibited because of the symmetry mismatch and no coupling is observed.

Proton-coupled organic cation antiporter-mediated uptake of apomorphine enantiomers in human brain capillary endothelial cell line hCMEC/D3.

PubMed

Okura, Takashi; Higuchi, Kei; Kitamura, Atsushi; Deguchi, Yoshiharu

2014-01-01

R(-)-Apomorphine is a dopamine agonist used for rescue management of motor function impairment associated with levodopa therapy in Parkinson's disease patients. The aim of this study was to examine the role of proton-coupled organic cation antiporter in uptake of R(-)-apomorphine and its S-enantiomer in human brain, using human endothelial cell line hCMEC/D3 as a model. Uptake of R(-)- or S(+)-apomorphine into hCMEC/D3 cells was measured under various conditions to evaluate its time-, concentration-, energy- and ion-dependency. Inhibition by selected organic cations was also examined. Uptakes of both R(-)- and S(+)-apomorphine increased with time. The initial uptake velocities of R(-)- and S(+)-apomorphine were concentration-dependent, with similar Km and Vmax values. The cell-to-medium (C/M) ratio of R(-)-apomorphine was significantly reduced by pretreatment with sodium azide, but was not affected by replacement of extracellular sodium ion with N-methylglucamine or potassium. Intracellular alkalization markedly reduced the uptake, while intracellular acidification increased it, suggesting that the uptake is driven by an oppositely directed proton gradient. The C/M ratio was significantly decreased by amantadine, verapamil, pyrilamine and diphenhydramine (substrates or inhibitors of proton-coupled organic cation antiporter), while tetraethylammonium (substrate of organic cation transporters (OCTs)) and carnitine (substrate of carnitine/organic cation transporter 2; (OCTN2)) had no effect. R(-)-Apomorphine uptake was competitively inhibited by diphenhydramine. Our results indicate that R(-)-apomorphine transport in human blood-brain barrier (BBB) model cells is similar to S(+)-apomorphine uptake. The transport was dependent on an oppositely directed proton gradient, but was sodium- or membrane potential-independent. The transport characteristics were consistent with involvement of the previously reported proton-coupled organic cation antiporter.

Controlled Aerodynamic Loads on an Airfoil in Coupled Pitch/Plunge by Transitory Regulation of Trapped Vorticity

NASA Astrophysics Data System (ADS)

Tan, Yuehan; Crittenden, Thomas; Glezer, Ari

2017-11-01

The aerodynamic loads on an airfoil moving in coupled, time-periodic pitch-plunge beyond the static stall margin are controlled using transitory regulation of trapped vorticity concentrations. Actuation is effected by a spanwise array of integrated miniature chemical (combustion based) impulse actuators that are triggered intermittently during the airfoil's motion and have a characteristic time scale that is an order of magnitude shorter than the airfoil's convective time scale. Each actuation pulse effects momentary interruption and suspension of the vorticity flux with sufficient control authority to alter the airfoil's global aerodynamic characteristics throughout its motion cycle. The effects of the actuation are assessed using time-dependent measurements of the lift and pitching moment coupled with time-resolved particle image velocimetry over the airfoil and in its near wake that is acquired phased-locked to its motion. It is shown that while the presence of the pitch-coupled plunge delays lift and moment stall during upstroke, it also delays flow reattachment during the downstroke and results in significant degradation of the pitch stability. These aerodynamic shortcomings are mitigated using superposition of a limited number of pulses that are staged during the pitch/plunge cycle and lead to enhancement of cycle lift and pitch stability, and reduces the cycle hysteresis and peak pitching moment.

Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas.

PubMed

Ilawe, Niranjan V; Oviedo, M Belén; Wong, Bryan M

2017-08-08

Using large-scale, real-time, quantum dynamics calculations, we present a detailed analysis of electronic excitation transfer (EET) mechanisms in a multiparticle plasmonic nanoantenna system. Specifically, we utilize real-time, time-dependent, density functional tight binding (RT-TDDFTB) to provide a quantum-mechanical description (at an electronic/atomistic level of detail) for characterizing and analyzing these systems, without recourse to classical approximations. We also demonstrate highly long-range electronic couplings in these complex systems and find that the range of these couplings is more than twice the conventional cutoff limit considered by Förster resonance energy transfer (FRET)-based approaches. Furthermore, we attribute these unusually long-ranged electronic couplings to the coherent oscillations of conduction electrons in plasmonic nanoparticles. This long-range nature of plasmonic interactions has important ramifications for EET; in particular, we show that the commonly used "nearest-neighbor" FRET model is inadequate for accurately characterizing EET even in simple plasmonic antenna systems. These findings provide a real-time, quantum-mechanical perspective for understanding EET mechanisms and provide guidance in enhancing plasmonic properties in artificial light-harvesting systems.

Coherent fifth-order visible-infrared spectroscopies: ultrafast nonequilibrium vibrational dynamics in solution.

PubMed

Lynch, Michael S; Slenkamp, Karla M; Cheng, Mark; Khalil, Munira

2012-07-05

Obtaining a detailed description of photochemical reactions in solution requires measuring time-evolving structural dynamics of transient chemical species on ultrafast time scales. Time-resolved vibrational spectroscopies are sensitive probes of molecular structure and dynamics in solution. In this work, we develop doubly resonant fifth-order nonlinear visible-infrared spectroscopies to probe nonequilibrium vibrational dynamics among coupled high-frequency vibrations during an ultrafast charge transfer process using a heterodyne detection scheme. The method enables the simultaneous collection of third- and fifth-order signals, which respectively measure vibrational dynamics occurring on electronic ground and excited states on a femtosecond time scale. Our data collection and analysis strategy allows transient dispersed vibrational echo (t-DVE) and dispersed pump-probe (t-DPP) spectra to be extracted as a function of electronic and vibrational population periods with high signal-to-noise ratio (S/N > 25). We discuss how fifth-order experiments can measure (i) time-dependent anharmonic vibrational couplings, (ii) nonequilibrium frequency-frequency correlation functions, (iii) incoherent and coherent vibrational relaxation and transfer dynamics, and (iv) coherent vibrational and electronic (vibronic) coupling as a function of a photochemical reaction.

Stretched exponential dynamics of coupled logistic maps on a small-world network

NASA Astrophysics Data System (ADS)

Mahajan, Ashwini V.; Gade, Prashant M.

2018-02-01

We investigate the dynamic phase transition from partially or fully arrested state to spatiotemporal chaos in coupled logistic maps on a small-world network. Persistence of local variables in a coarse grained sense acts as an excellent order parameter to study this transition. We investigate the phase diagram by varying coupling strength and small-world rewiring probability p of nonlocal connections. The persistent region is a compact region bounded by two critical lines where band-merging crisis occurs. On one critical line, the persistent sites shows a nonexponential (stretched exponential) decay for all p while for another one, it shows crossover from nonexponential to exponential behavior as p → 1 . With an effectively antiferromagnetic coupling, coupling to two neighbors on either side leads to exchange frustration. Apart from exchange frustration, non-bipartite topology and nonlocal couplings in a small-world network could be a reason for anomalous relaxation. The distribution of trap times in asymptotic regime has a long tail as well. The dependence of temporal evolution of persistence on initial conditions is studied and a scaling form for persistence after waiting time is proposed. We present a simple possible model for this behavior.

Strongly coupling a cavity to inhomogeneous ensembles of emitters: Potential for long-lived solid-state quantum memories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Diniz, I.; Portolan, S.; Auffeves, A.

2011-12-15

We investigate theoretically the coupling of a cavity mode to a continuous distribution of emitters. We discuss the influence of the emitters' inhomogeneous broadening on the existence and on the coherence properties of the polaritonic peaks. We find that their coherence depends crucially on the shape of the distribution and not only on its width. Under certain conditions the coupling to the cavity protects the polaritonic states from inhomogeneous broadening, resulting in a longer storage time for a quantum memory based on emitter ensembles. When two different ensembles of emitters are coupled to the resonator, they support a peculiar collectivemore » dark state, which is also very attractive for the storage of quantum information.« less

A Coupling Function Linking Solar Wind /IMF Variations and Geomagnetic Activity

NASA Astrophysics Data System (ADS)

Lyatsky, W.; Lyatskaya, S.; Tan, A.

2006-12-01

From a theoretical consideration we have obtained expressions for the coupling function linking solar wind and IMF parameters to geomagnetic activity. While deriving these expressions, we took into account (1) a scaling factor due to polar cap expansion while increasing a reconnected magnetic flux in the dayside magnetosphere, and (2) a modified Akasofu function for the reconnected flux for combined IMF Bz and By components. The resulting coupling function may be written as Fa = aVsw B^1/2 sina (q/2), where Vsw is the solar wind speed, B^ is the magnitude of the IMF vector in the Y-Z plane, q is the clock angle between the Z axis and IMF vector in the Y-Z plane, a is a coefficient, and the exponent, a, is derived from the experimental data and equals approximately to 2. The Fa function differs primary by the power of B^ from coupling functions proposed earlier. For testing the obtained coupling function, we used solar wind and interplanetary magnetic field data for four years for maximum and minimum solar activity. We computed 2-D contour plots for correlation coefficients for the dependence of geomagnetic activity indices on solar wind parameters for different coupling functions. The obtained diagrams showed a good correspondence to the theoretic coupling function Fa for a »2. The maximum correlation coefficient for the dependence of the polar cap PC index on the Fa coupling function is significantly higher than that computed for other coupling functions used researchers, for the same time intervals.

Membrane Potential Controls the Efficacy of Catecholamine-induced β1-Adrenoceptor Activity*

PubMed Central

Birk, Alexandra; Rinne, Andreas; Bünemann, Moritz

2015-01-01

G protein-coupled receptors (GPCRs) are membrane-located proteins and, therefore, are exposed to changes in membrane potential (VM) in excitable tissues. These changes have been shown to alter receptor activation of certain Gi-and Gq-coupled GPCRs. By means of a combination of whole-cell patch-clamp and Förster resonance energy transfer (FRET) in single cells, we demonstrate that the activation of the Gs-coupled β1-adrenoreceptor (β1-AR) by the catecholamines isoprenaline (Iso) and adrenaline (Adr) is regulated by VM. This voltage-dependence is also transmitted to G protein and arrestin 3 signaling. Voltage-dependence of β2-AR activation, however, was weak compared with β1-AR voltage-dependence. Drug efficacy is a major target of β1-AR voltage-dependence as depolarization attenuated receptor activation, even under saturating concentrations of agonists, with significantly faster kinetics than the deactivation upon agonist withdrawal. Also the efficacy of the endogenous full agonist adrenaline was reduced by depolarization. This is a unique finding since reports of natural full agonists at other voltage-dependent GPCRs only show alterations in affinity during depolarization. Based on a Boltzmann function fit to the relationship of VM and receptor-arrestin 3 interaction we determined the voltage-dependence with highest sensitivity in the physiological range of membrane potential. Our data suggest that under physiological conditions voltage regulates the activity of agonist-occupied β1-adrenoceptors on a very fast time scale. PMID:26408198

Time-Dependent Testing Evaluation and Modeling for Rubber Stopper Seal Performance.

PubMed

Zeng, Qingyu; Zhao, Xia

2018-01-01

Sufficient rubber stopper sealing performance throughout the entire sealed product life cycle is essential for maintaining container closure integrity in the parenteral packaging industry. However, prior publications have lacked systematic considerations for the time-dependent influence on sealing performance that results from the viscoelastic characteristics of the rubber stoppers. In this paper, we report results of an effort to study these effects by applying both compression stress relaxation testing and residual seal force testing for time-dependent experimental data collection. These experiments were followed by modeling fit calculations based on the Maxwell-Wiechert theory modified with the Kohlrausch-Williams-Watts stretched exponential function, resulting in a nonlinear, time-dependent sealing force model. By employing both testing evaluations and modeling calculations, an in-depth understanding of the time-dependent effects on rubber stopper sealing force was developed. Both testing and modeling data show good consistency, demonstrating that the sealing force decays exponentially over time and eventually levels off because of the viscoelastic nature of the rubber stoppers. The nonlinearity of stress relaxation derives from the viscoelastic characteristics of the rubber stoppers coupled with the large stopper compression deformation into restrained geometry conditions. The modeling fit with capability to handle actual testing data can be employed as a tool to calculate the compression stress relaxation and residual seal force throughout the entire sealed product life cycle. In addition to being time-dependent, stress relaxation is also experimentally shown to be temperature-dependent. The present work provides a new, integrated methodology framework and some fresh insights to the parenteral packaging industry for practically and proactively considering, designing, setting up, controlling, and managing stopper sealing performance throughout the entire sealed product life cycle. LAY ABSTRACT: Historical publications in the parenteral packaging industry have lacked systematic considerations for the time-dependent influence on the sealing performance that results from effects of viscoelastic characteristic of the rubber stoppers. This study applied compression stress relaxation testing and residual seal force testing for time-dependent experimental data collection. These experiments were followed by modeling fit calculations based on the Maxwell-Wiechert theory modified with the Kohlrausch-Williams-Watts stretched exponential function, resulting in a nonlinear, time-dependent sealing force model. Experimental and modeling data show good consistency, demonstrating that sealing force decays exponentially over time and eventually levels off. The nonlinearity of stress relaxation derives from the viscoelastic characteristics of the rubber stoppers coupled with the large stopper compression deformation into restrained geometry conditions. In addition to being time-dependent stress relaxation, it is also experimentally shown to be temperature-dependent. The present work provides a new, integrated methodology framework and some fresh insights to the industry for practically and proactively considering, designing, setting up, controlling, and managing of the stopper sealing performance throughout the entire sealed product life cycle. © PDA, Inc. 2018.

Effect of pressure dependent viscosity on couple stress squeeze film lubrication between porous circular stepped plates

NASA Astrophysics Data System (ADS)

Hanumagowda, B. N.; Raju, B. T.; Santhosh Kumar, J.; Vasanth, K. R.

2018-04-01

In this paper, the effect of PDV on the couple stress squeeze film lubrication between porous circular stepped plates is presented. Keeping the base of Christensen’s stochastic theory modified Reynolds equation is derived. Reynolds equation, fluid film pressure, squeeze film time and load carrying capacity are solved using standard perturbation technique. The results are tabulated and presented graphically for selected physical parameters and found that the squeeze effect is depleted in a porous bearing compared to its nonporous and increasing permeability has an adverse effect on the pressure, load carrying capacity and time of approach.

The effect of intrinsic muscular nonlinearities on the energetics of locomotion in a computational model of an anguilliform swimmer.

PubMed

Hamlet, Christina; Fauci, Lisa J; Tytell, Eric D

2015-11-21

Animals move through their environments using muscles to produce force. When an animal׳s nervous system activates a muscle, the muscle produces different amounts of force depending on its length, its shortening velocity, and its time history of force production. These muscle forces interact with forces from passive tissue properties and forces from the external environment. Using an integrative computational model that couples an elastic, actuated model of an anguilliform, lamprey-like swimmer with a surrounding Navier-Stokes fluid, we study the effects of this coupling between the muscle force and the body motion. Swimmers with different forms of this coupling can achieve similar motions, but use different amounts of energy. The velocity dependence is the most important property of the ones we considered for reducing energy costs and helping us to stabilize oscillations. These effects are strongly influenced by how rapidly the muscle deactivates; if force decays too slowly, muscles on opposite sides of the body end up fighting each other, increasing energy cost. Work-dependent deactivation, an effect that causes a muscle to deactivate more rapidly if it has recently produced mechanical work, works together with the velocity dependence to reduce the energy cost of swimming. Copyright © 2015 Elsevier Ltd. All rights reserved.

Contribution of Rho kinase to the early phase of the calcium-contraction coupling in airway smooth muscle.

PubMed

Mbikou, Prisca; Fajmut, Ales; Brumen, Milan; Roux, Etienne

2011-02-01

We investigated theoretically and experimentally the role of Rho kinase (RhoK) in Ca(2+)-contraction coupling in rat airways. Isometric contraction was measured on tracheal, extrapulmonary and intrapulmonary bronchial rings. Intracellular [Ca(2+)] was recorded in freshly isolated tracheal myocytes. Stimulation by carbachol (0.3 and 10 μm) and 50 mm external KCl induced a short-time, Hill-shaped contraction obtained within 90 s, followed by a sustained or an additional delayed contraction. Responses of [Ca(2+)](i) to acetylcholine consisted in a fast peak followed by a plateau and, in 42% of the cells, superimposed Ca(2+) oscillations. The RhoK inhibitor Y27632 (10 μm) did not alter the [Ca(2+)](i) response. Whatever the agonist, Y27632 did not modify the basal tension but decreased the amplitude of the short-duration response, without altering the additional delayed contraction. The Myosin Light Chain Phosphatase (MLCP) inhibitor calyculin A increased the basal tension and abolished the effect of RhoK. KN93 (Ca(2+)-calmodulin-dependent protein kinase II inhibitor) and DIDS (inhibitor of Ca(2+)-activated Cl(-) channels) had no influence on the RhoK effect. We built a theoretical model of Ca(2+)-dependent active/inactive RhoK ratio and subsequent RhoK-dependent MLCP inactivation, which was further coupled with a four-state model of the contractile apparatus and Ca(2+)-dependent MLCK activation. The model explains the time course of the short-duration contraction and the role of RhoK by Ca(2+)-dependent activation of MLCK and RhoK, which inactivates MLCP. Oscillatory and non-oscillatory [Ca(2+)](i) responses result in a non-oscillatory contraction, the amplitude of which is encoded by the plateau value and oscillation frequency. In conclusion, Ca(2+)-dependent but CaMK II-independent RhoK activation contributes to the early phase of the contractile response via MLCP inhibition.

One-dimensional time-dependent fluid model of a very high density low-pressure inductively coupled plasma

DOE PAGES

Chaplin, Vernon H.; Bellan, Paul M.

2015-12-28

A time-dependent two-fluid model has been developed to understand axial variations in the plasma parameters in a very high density (peak n e~ > 5x10 19 m –3) argon inductively coupled discharge in a long 1.1 cm radius tube. The model equations are written in 1D, with radial losses to the tube walls accounted for by the inclusion of effective particle and energy sink terms. The ambipolar diffusion equation and electron energy equation are solved to find the electron density n e(z,t) and temperature T e(z,t), and the populations of the neutral argon 4s metastable, 4s resonant, and 4p excitedmore » state manifolds are calculated in order to determine the stepwise ionization rate and calculate radiative energy losses. The model has been validated through comparisons with Langmuir probe ion saturation current measurements; close agreement between the simulated and measured axial plasma density profiles and the initial density rise rate at each location was obtained at p Ar = 30-60 mTorr. Lastly, we present detailed results from calculations at 60 mTorr, including the time-dependent electron temperature, excited state populations, and energy budget within and downstream of the radiofrequency (RF) antenna.« less

Charge creation and nucleation of the longitudinal plasma wave in coupled Josephson junctions

NASA Astrophysics Data System (ADS)

Shukrinov, Yu. M.; Hamdipour, M.

2010-11-01

We study the phase dynamics in coupled Josephson junctions described by a system of nonlinear differential equations. Results of detailed numerical simulations of charge creation in the superconducting layers and the longitudinal plasma wave (LPW) nucleation are presented. We demonstrate the different time stages in the development of the LPW and present the results of FFT analysis at different values of bias current. The correspondence between the breakpoint position on the outermost branch of current voltage characteristics (CVC) and the growing region in time dependence of the electric charge in the superconducting layer is established. The effects of noise in the bias current and the external microwave radiation on the charge dynamics of the coupled Josephson junctions are found. These effects introduce a way to regulate the process of LPW nucleation in the stack of IJJ.

Study of nanostructural organization of ionic liquids by electron paramagnetic resonance spectroscopy.

PubMed

Merunka, Dalibor; Peric, Mirna; Peric, Miroslav

2015-02-19

The X-band electron paramagnetic resonance spectroscopy (EPR) of a stable, spherical nitroxide spin probe, perdeuterated 2,2,6,6-tetramethyl-4-oxopiperidine-1-oxyl (pDTO) has been used to study the nanostructural organization of a series of 1-alkyl-3-methylimidazolium tetrafluoroborate ionic liquids (ILs) with alkyl chain lengths from two to eight carbons. By employing nonlinear least-squares fitting of the EPR spectra, we have obtained values of the rotational correlation time and hyperfine coupling splitting of pDTO to high precision. The rotational correlation time of pDTO in ILs and squalane, a viscous alkane, can be fit very well to a power law functionality with a singular temperature, which often describes a number of physical quantities measured in supercooled liquids. The viscosity of the ILs and squalane, taken from the literature, can also be fit to the same power law expression, which means that the rotational correlation times and the ionic liquid viscosities have similar functional dependence on temperature. The apparent activation energy of both the rotational correlation time of pDTO and the viscous flow of ILs and squalane increases with decreasing temperature; in other words, they exhibit strong non-Arrhenius behavior. The rotational correlation time of pDTO as a function of η/T, where η is the shear viscosity and T is the temperature, is well described by the Stokes-Einstein-Debye (SED) law, while the hydrodynamic probe radii are solvent dependent and are smaller than the geometric radius of the probe. The temperature dependence of hyperfine coupling splitting is the same in all four ionic liquids. The value of the hyperfine coupling splitting starts decreasing with increasing alkyl chain length in the ionic liquids in which the number of carbons in the alkyl chain is greater than four. This decrease together with the decrease in the hydrodynamic radius of the probe indicates a possible existence of nonpolar nanodomains.

Synchronization properties of coupled chaotic neurons: The role of random shared input

NASA Astrophysics Data System (ADS)

Kumar, Rupesh; Bilal, Shakir; Ramaswamy, Ram

2016-06-01

Spike-time correlations of neighbouring neurons depend on their intrinsic firing properties as well as on the inputs they share. Studies have shown that periodically firing neurons, when subjected to random shared input, exhibit asynchronicity. Here, we study the effect of random shared input on the synchronization of weakly coupled chaotic neurons. The cases of so-called electrical and chemical coupling are both considered, and we observe a wide range of synchronization behaviour. When subjected to identical shared random input, there is a decrease in the threshold coupling strength needed for chaotic neurons to synchronize in-phase. The system also supports lag-synchronous states, and for these, we find that shared input can cause desynchronization. We carry out a master stability function analysis for a network of such neurons and show agreement with the numerical simulations. The contrasting role of shared random input for complete and lag synchronized neurons is useful in understanding spike-time correlations observed in many areas of the brain.

Synchronization properties of coupled chaotic neurons: The role of random shared input

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Rupesh; Bilal, Shakir; Ramaswamy, Ram

Spike-time correlations of neighbouring neurons depend on their intrinsic firing properties as well as on the inputs they share. Studies have shown that periodically firing neurons, when subjected to random shared input, exhibit asynchronicity. Here, we study the effect of random shared input on the synchronization of weakly coupled chaotic neurons. The cases of so-called electrical and chemical coupling are both considered, and we observe a wide range of synchronization behaviour. When subjected to identical shared random input, there is a decrease in the threshold coupling strength needed for chaotic neurons to synchronize in-phase. The system also supports lag–synchronous states,more » and for these, we find that shared input can cause desynchronization. We carry out a master stability function analysis for a network of such neurons and show agreement with the numerical simulations. The contrasting role of shared random input for complete and lag synchronized neurons is useful in understanding spike-time correlations observed in many areas of the brain.« less

Temperature effect on the coupling between coherent longitudinal phonons and plasmons in n -type and p -type GaAs

NASA Astrophysics Data System (ADS)

Hu, Jianbo; Zhang, Hang; Sun, Yi; Misochko, Oleg V.; Nakamura, Kazutaka G.

2018-04-01

The coupling between longitudinal optical (LO) phonons and plasmons plays a fundamental role in determining the performance of doped semiconductor devices. In this work, we report a comparative investigation into the dependence of the coupling on temperature and doping in n - and p -type GaAs by using ultrafast coherent phonon spectroscopy. A suppression of coherent oscillations has been observed in p -type GaAs at lower temperature, strikingly different from n -type GaAs and other materials in which coherent oscillations are strongly enhanced by cooling. We attribute this unexpected observation to a cooling-induced elongation of the depth of the depletion layer which effectively increases the screening time of the surface field due to a slow diffusion of photoexcited carriers in p -type GaAs. Such an increase breaks the requirement for the generation of coherent LO phonons and, in turn, LO phonon-plasmon coupled modes because of their delayed formation in time.

An efficient model for coupling structural vibrations with acoustic radiation

NASA Technical Reports Server (NTRS)

Frendi, Abdelkader; Maestrello, Lucio; Ting, LU

1993-01-01

The scattering of an incident wave by a flexible panel is studied. The panel vibration is governed by the nonlinear plate equations while the loading on the panel, which is the pressure difference across the panel, depends on the reflected and transmitted waves. Two models are used to calculate this structural-acoustic interaction problem. One solves the three dimensional nonlinear Euler equations for the flow-field coupled with the plate equations (the fully coupled model). The second uses the linear wave equation for the acoustic field and expresses the load as a double integral involving the panel oscillation (the decoupled model). The panel oscillation governed by a system of integro-differential equations is solved numerically and the acoustic field is then defined by an explicit formula. Numerical results are obtained using the two models for linear and nonlinear panel vibrations. The predictions given by these two models are in good agreement but the computational time needed for the 'fully coupled model' is 60 times longer than that for 'the decoupled model'.

Phase modulation in dipolar-coupled A 2 spin systems: effect of maximum state mixing in 1H NMR in vivo

NASA Astrophysics Data System (ADS)

Schröder, Leif; Schmitz, Christian; Bachert, Peter

2004-12-01

Coupling constants of nuclear spin systems can be determined from phase modulation of multiplet resonances. Strongly coupled systems such as citrate in prostatic tissue exhibit a more complex modulation than AX connectivities, because of substantial mixing of quantum states. An extreme limit is the coupling of n isochronous spins (A n system). It is observable only for directly connected spins like the methylene protons of creatine and phosphocreatine which experience residual dipolar coupling in intact muscle tissue in vivo. We will demonstrate that phase modulation of this "pseudo-strong" system is quite simple compared to those of AB systems. Theory predicts that the spin-echo experiment yields conditions as in the case of weak interactions, in particular, the phase modulation depends linearly on the line splitting and the echo time.

Interstate vibronic coupling constants between electronic excited states for complex molecules

NASA Astrophysics Data System (ADS)

Fumanal, Maria; Plasser, Felix; Mai, Sebastian; Daniel, Chantal; Gindensperger, Etienne

2018-03-01

In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is applied to get access to the interstate vibronic coupling constants at the time-dependent density functional theory level through the overlap integrals between excited-state adiabatic auxiliary wavefunctions. We discuss the advantages of such method and its potential for future applications to address complex systems, in particular, those where multiple electronic states are energetically closely lying and interact. We apply the protocol to the study of prototype rhenium carbonyl complexes [Re(CO)3(N,N)(L)]n+ for which non-adiabatic quantum dynamics within the linear vibronic coupling model and including spin-orbit coupling have been reported recently.

Improved two-temperature model including electron density of states effects for Au during femtosecond laser pulses

NASA Astrophysics Data System (ADS)

Fang, Ranran; Wei, Hua; Li, Zhihua; Zhang, Duanming

2012-01-01

The electron temperature dependences of the electron-phonon coupling factor and electron heat capacity based on the electron density of states are investigated for precious metal Au under femtosecond laser irradiation. The thermal excitation of d band electrons is found to result in large deviations from the commonly used approximations of linear temperature dependence of the electron heat capacity, and the constant electron-phonon coupling factor. Results of the simulations performed with the two-temperature model demonstrate that the electron-phonon relaxation time becomes short for high fluence laser for Au. The satisfactory agreement between our numerical results and experimental data of threshold fluence indicates that the electron temperature dependence of the thermophysical parameters accounting for the thermal excitation of d band electrons should not be neglected under the condition that electron temperature is higher than 10 4 K.

Relaxation approximation in the theory of shear turbulence

NASA Technical Reports Server (NTRS)

Rubinstein, Robert

1995-01-01

Leslie's perturbative treatment of the direct interaction approximation for shear turbulence (Modern Developments in the Theory of Turbulence, 1972) is applied to derive a time dependent model for the Reynolds stresses. The stresses are decomposed into tensor components which satisfy coupled linear relaxation equations; the present theory therefore differs from phenomenological Reynolds stress closures in which the time derivatives of the stresses are expressed in terms of the stresses themselves. The theory accounts naturally for the time dependence of the Reynolds normal stress ratios in simple shear flow. The distortion of wavenumber space by the mean shear plays a crucial role in this theory.

Numerical Simulation for the Unsteady MHD Flow and Heat Transfer of Couple Stress Fluid over a Rotating Disk

PubMed Central

2014-01-01

The present work is devoted to study the numerical simulation for unsteady MHD flow and heat transfer of a couple stress fluid over a rotating disk. A similarity transformation is employed to reduce the time dependent system of nonlinear partial differential equations (PDEs) to ordinary differential equations (ODEs). The Runge-Kutta method and shooting technique are employed for finding the numerical solution of the governing system. The influences of governing parameters viz. unsteadiness parameter, couple stress and various physical parameters on velocity, temperature and pressure profiles are analyzed graphically and discussed in detail. PMID:24835274

Vibrational energy transfer from photoexcited carbon nanotubes to proteins observed by coherent phonon spectroscopy

NASA Astrophysics Data System (ADS)

Nakayama, Tomohito; Yoshizawa, Shunsuke; Hirano, Atsushi; Tanaka, Takeshi; Shiraki, Kentaro; Hase, Muneaki

2017-12-01

Vibrational energy transfer from photoexcited single-wall carbon nanotubes (SWCNTs) to coupled proteins is a key to engineering thermally induced biological reactions, for example, in photothermal therapy. Here, we explored vibrational energy transfer from photoexcited SWCNTs to different adsorbed biological materials by means of a femtosecond pump-probe technique. We show that the vibrational relaxation time of the radial breathing modes in SWCNTs depends significantly on the structure of the coupled materials, that is, proteins or biopolymers, indicating that the vibrational energy transfer is governed by overlapping of the phonon densities of states of the SWCNTs and coupled materials.

MSW-resonant fermion mixing during reheating

NASA Astrophysics Data System (ADS)

Kanai, Tsuneto; Tsujikawa, Shinji

2003-10-01

We study the dynamics of reheating in which an inflaton field couples two flavor fermions through Yukawa-couplings. When two fermions have a mixing term with a constant coupling, we show that the Mikheyev-Smirnov-Wolfenstein (MSW)-type resonance emerges due to a time-dependent background in addition to the standard fermion creation via parametric resonance. This MSW resonance not only alters the number densities of fermions generated by a preheating process but also can lead to the larger energy transfer from the inflaton to fermions. Our mechanism can provide additional source terms for the creation of superheavy fermions which may be relevant for the leptogenesis scenario.

High-harmonic generation from Bloch electrons in solids

NASA Astrophysics Data System (ADS)

Wu, Mengxi; Ghimire, Shambhu; Reis, David A.; Schafer, Kenneth J.; Gaarde, Mette B.

2015-04-01

We study the generation of high-harmonic radiation by Bloch electrons in a model transparent solid driven by a strong midinfrared laser field. We solve the single-electron time-dependent Schrödinger equation (TDSE) using a velocity-gauge method [M. Korbman et al., New J. Phys. 15, 013006 (2013), 10.1088/1367-2630/15/1/013006] that is numerically stable as the laser intensity and number of energy bands are increased. The resulting harmonic spectrum exhibits a primary plateau due to the coupling of the valence band to the first conduction band, with a cutoff energy that scales linearly with field strength and laser wavelength. We also find a weaker second plateau due to coupling to higher-lying conduction bands, with a cutoff that is also approximately linear in the field strength. To facilitate the analysis of the time-frequency characteristics of the emitted harmonics, we also solve the TDSE in a time-dependent basis set, the Houston states [J. B. Krieger and G. J. Iafrate, Phys. Rev. B 33, 5494 (1986), 10.1103/PhysRevB.33.5494], which allows us to separate interband and intraband contributions to the time-dependent current. We find that the interband and intraband contributions display very different time-frequency characteristics. We show that solutions in these two bases are equivalent under a unitary transformation but that, unlike the velocity-gauge method, the Houston state treatment is numerically unstable when more than a few low-lying energy bands are used.

Nonequilibrium mode-coupling theory for dense active systems of self-propelled particles.

PubMed

Nandi, Saroj Kumar; Gov, Nir S

2017-10-25

The physics of active systems of self-propelled particles, in the regime of a dense liquid state, is an open puzzle of great current interest, both for statistical physics and because such systems appear in many biological contexts. We develop a nonequilibrium mode-coupling theory (MCT) for such systems, where activity is included as a colored noise with the particles having a self-propulsion force f 0 and a persistence time τ p . Using the extended MCT and a generalized fluctuation-dissipation theorem, we calculate the effective temperature T eff of the active fluid. The nonequilibrium nature of the systems is manifested through a time-dependent T eff that approaches a constant in the long-time limit, which depends on the activity parameters f 0 and τ p . We find, phenomenologically, that this long-time limit is captured by the potential energy of a single, trapped active particle (STAP). Through a scaling analysis close to the MCT glass transition point, we show that τ α , the α-relaxation time, behaves as τ α ∼ f 0 -2γ , where γ = 1.74 is the MCT exponent for the passive system. τ α may increase or decrease as a function of τ p depending on the type of active force correlations, but the behavior is always governed by the same value of the exponent γ. Comparison with the numerical solution of the nonequilibrium MCT and simulation results give excellent agreement with scaling analysis.

Low-energy electron-impact single ionization of helium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colgan, J.; Pindzola, M. S.; Childers, G.

2006-04-15

A study is made of low-energy electron-impact single ionization of ground-state helium. The time-dependent close-coupling method is used to calculate total integral, single differential, double differential, and triple differential ionization cross sections for impact electron energies ranging from 32 to 45 eV. For all quantities, the calculated cross sections are found to be in very good agreement with experiment, and for the triple differential cross sections, good agreement is also found with calculations made using the convergent close-coupling technique.

Generalized classes of continuous symmetries in two-mode Dicke models

NASA Astrophysics Data System (ADS)

Moodie, Ryan I.; Ballantine, Kyle E.; Keeling, Jonathan

2018-03-01

As recently realized experimentally [Nature (London) 543, 87 (2017), 10.1038/nature21067], one can engineer models with continuous symmetries by coupling two cavity modes to trapped atoms via a Raman pumping geometry. Considering specifically cases where internal states of the atoms couple to the cavity, we show an extended range of parameters for which continuous symmetry breaking can occur, and we classify the distinct steady states and time-dependent states that arise for different points in this extended parameter regime.

Analysis of Partitioned Methods for the Biot System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bukac, Martina; Layton, William; Moraiti, Marina

2015-02-18

In this work, we present a comprehensive study of several partitioned methods for the coupling of flow and mechanics. We derive energy estimates for each method for the fully-discrete problem. We write the obtained stability conditions in terms of a key control parameter defined as a ratio of the coupling strength and the speed of propagation. Depending on the parameters in the problem, give the choice of the partitioned method which allows the largest time step. (C) 2015 Wiley Periodicals, Inc.

Large magnetoresistance of nickel-silicide nanowires: non-equilibrium heating of magnetically-coupled dangling bonds.

PubMed

Kim, T; Chamberlin, R V; Bird, J P

2013-03-13

We demonstrate large (>100%) time-dependent magnetoresistance in nickel-silicide nanowires and develop a thermodynamic model for this behavior. The model describes nonequilibrium heating of localized spins in an increasing magnetic field. We find a strong interaction between spins but no long-range magnetic order. The spins likely come from unpaired dangling bonds in the interfacial layers of the nanowires. The model indicates that although these bonds couple weakly to a thermal bath, they dominate the nanowire resistance.

Time-dependent buoyant puff model for explosive sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kansa, E.J.

1997-01-01

Several models exist to predict the time dependent behavior of bouyant puffs that result from explosions. This paper presents a new model that is derived from the strong conservative form of the conservation partial differential equations that are integrated over space to yield a coupled system of time dependent nonlinear ordinary differential equations. This model permits the cloud to evolve from an intial spherical shape not an ellipsoidal shape. It ignores the Boussinesq approximation, and treats the turbulence that is generated by the puff itself and the ambient atmospheric tubulence as separate mechanisms in determining the puff history. The puffmore » cloud rise history was found to depend no only on the mass and initial temperature of the explosion, but also upon the stability conditions of the ambient atmosphere. This model was calibrated by comparison with the Roller Coaster experiments.« less

Non-equilibrium magnetic interactions in strongly correlated systems

NASA Astrophysics Data System (ADS)

Secchi, A.; Brener, S.; Lichtenstein, A. I.; Katsnelson, M. I.

2013-06-01

We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin dynamics. We derive expressions for dynamical exchange parameters in terms of non-equilibrium electronic Green functions and self-energies, which can be computed, e.g., with the methods of time-dependent dynamical mean-field theory. Moreover, we find that a correct description of the system requires, in addition to exchange, a new kind of magnetic interaction, that we name twist exchange, which formally resembles Dzyaloshinskii-Moriya coupling, but is not due to spin-orbit, and is actually due to an effective three-spin interaction. Our theory allows the evaluation of the related time-dependent parameters as well.

Size and Temperature Dependence of Electron Transfer between CdSe Quantum Dots and a TiO 2 Nanobelt

DOE PAGES

Tafen, De Nyago; Prezhdo, Oleg V.

2015-02-24

Understanding charge transfer reactions between quantum dots (QD) and metal oxides is fundamental for improving photocatalytic, photovoltaic and electronic devices. The complexity of these processes makes it difficult to find an optimum QD size with rapid charge injection and low recombination. We combine time-domain density functional theory with nonadiabatic molecular dynamics to investigate the size and temperature dependence of the experimentally studied electron transfer and charge recombination at CdSe QD-TiO 2 nanobelt (NB) interfaces. The electron injection rate shows strong dependence on the QD size, increasing for small QDs. The rate exhibits Arrhenius temperature dependence, with the activation energy ofmore » the order of millielectronvolts. The charge recombination process occurs due to coupling of the electronic subsystem to vibrational modes of the TiO 2 NB. Inelastic electron-phonon scattering happens on a picosecond time scale, with strong dependence on the QD size. Our simulations demonstrate that the electron-hole recombination rate decreases significantly as the QD size increases, in excellent agreement with experiments. The temperature dependence of the charge recombination rates can be successfully modeled within the framework of the Marcus theory through optimization of the electronic coupling and the reorganization energy. Our simulations indicate that by varying the QD size, one can modulate the photoinduced charge separation and charge recombination, fundamental aspects of the design principles for high efficiency devices.« less

A 2-DOF microstructure-dependent model for the coupled torsion/bending instability of rotational nanoscanner

NASA Astrophysics Data System (ADS)

Keivani, M.; Abadian, N.; Koochi, A.; Mokhtari, J.; Abadyan, M.

2016-10-01

It has been well established that the physical performance of nanodevices might be affected by the microstructure. Herein, a two-degree-of-freedom model base on the modified couple stress theory is developed to incorporate the impact of microstructure in the torsion/bending coupled instability of rotational nanoscanner. Effect of microstructure dependency on the instability parameters is determined as a function of the microstructure parameter, bending/torsion coupling ratio, van der Waals force parameter and geometrical dimensions. It is found that the bending/torsion coupling substantially affects the stable behavior of the scanners especially those with long rotational beam elements. Impact of microstructure on instability voltage of the nanoscanner depends on coupling ratio and the conquering bending mode over torsion mode. This effect is more highlighted for higher values of coupling ratio. Depending on the geometry and material characteristics, the presented model is able to simulate both hardening behavior (due to microstructure) and softening behavior (due to torsion/bending coupling) of the nanoscanners.

Global cluster synchronization in nonlinearly coupled community networks with heterogeneous coupling delays.

PubMed

Tseng, Jui-Pin

2017-02-01

This investigation establishes the global cluster synchronization of complex networks with a community structure based on an iterative approach. The units comprising the network are described by differential equations, and can be non-autonomous and involve time delays. In addition, units in the different communities can be governed by different equations. The coupling configuration of the network is rather general. The coupling terms can be non-diffusive, nonlinear, asymmetric, and with heterogeneous coupling delays. Based on this approach, both delay-dependent and delay-independent criteria for global cluster synchronization are derived. We implement the present approach for a nonlinearly coupled neural network with heterogeneous coupling delays. Two numerical examples are given to show that neural networks can behave in a variety of new collective ways under the synchronization criteria. These examples also demonstrate that neural networks remain synchronized in spite of coupling delays between neurons across different communities; however, they may lose synchrony if the coupling delays between the neurons within the same community are too large, such that the synchronization criteria are violated. Copyright © 2016 Elsevier Ltd. All rights reserved.

Self-potential monitoring of a thermal pulse advecting through a preferential flow path

NASA Astrophysics Data System (ADS)

Ikard, S. J.; Revil, A.

2014-11-01

There is a need to develop new non-intrusive geophysical methods to detect preferential flow paths in heterogeneous porous media. A laboratory experiment is performed to non-invasively localize a preferential flow pathway in a sandbox using a heat pulse monitored by time-lapse self-potential measurements. Our goal is to investigate the amplitude of the intrinsic thermoelectric self-potential anomalies and the ability of this method to track preferential flow paths. A negative self-potential anomaly (-10 to -15 mV with respect to the background signals) is observed at the surface of the tank after hot water is injected in the upstream reservoir during steady state flow between the upstream and downstream reservoirs of the sandbox. Repeating the same experiment with the same volume of water injected upstream, but at the same temperature as the background pore water, produces a negligible self-potential anomaly. The negative self-potential anomaly is possibly associated with an intrinsic thermoelectric effect, with the temperature dependence of the streaming potential coupling coefficient, or with an apparent thermoelectric effect associated with the temperature dependence of the electrodes themselves. We model the experiment in 3D using a finite element code. Our results show that time-lapse self-potential signals can be used to track the position of traveling heat flow pulses in saturated porous materials, and therefore to find preferential flow pathways, especially in a very permeable environment and in real time. The numerical model and the data allows quantifying the intrinsic thermoelectric coupling coefficient, which is on the order of -0.3 to -1.8 mV per degree Celsius. The temperature dependence of the streaming potential during the experiment is negligible with respect to the intrinsic thermoelectric coupling. However, the temperature dependence of the potential of the electrodes needs to be accounted for and is far from being negligible if the electrodes experience temperature changes.

Control of Multiple Exciton Generation and Electron-Phonon Coupling by Interior Nanospace in Hyperstructured Quantum Dot Superlattice.

PubMed

Chang, I-Ya; Kim, DaeGwi; Hyeon-Deuk, Kim

2017-09-20

The possibility of precisely manipulating interior nanospace, which can be adjusted by ligand-attaching down to the subnanometer regime, in a hyperstructured quantum dot (QD) superlattice (QDSL) induces a new kind of collective resonant coupling among QDs and opens up new opportunities for developing advanced optoelectric and photovoltaic devices. Here, we report the first real-time dynamics simulations of the multiple exciton generation (MEG) in one-, two-, and three-dimensional (1D, 2D, and 3D) hyperstructured H-passivated Si QDSLs, accounting for thermally fluctuating band energies and phonon dynamics obtained by finite-temperature ab initio molecular dynamics simulations. We computationally demonstrated that the MEG was significantly accelerated, especially in the 3D QDSL compared to the 1D and 2D QDSLs. The MEG acceleration in the 3D QDSL was almost 1.9 times the isolated QD case. The dimension-dependent MEG acceleration was attributed not only to the static density of states but also to the dynamical electron-phonon couplings depending on the dimensionality of the hyperstructured QDSL, which is effectively controlled by the interior nanospace. Such dimension-dependent modifications originated from the short-range quantum resonance among component QDs and were intrinsic to the hyperstructured QDSL. We propose that photoexcited dynamics including the MEG process can be effectively controlled by only manipulating the interior nanospace of the hyperstructured QDSL without changing component QD size, shape, compositions, ligand, etc.

Pulse-coupled Belousov-Zhabotinsky oscillators with frequency modulation

NASA Astrophysics Data System (ADS)

Horvath, Viktor; Epstein, Irving R.

2018-04-01

Inhibitory perturbations to the ferroin-catalyzed Belousov-Zhabotinsky (BZ) chemical oscillator operated in a continuously fed stirred tank reactor cause long term changes to the limit cycle: the lengths of the cycles subsequent to the perturbation are longer than that of the unperturbed cycle, and the unperturbed limit cycle is recovered only after several cycles. The frequency of the BZ reaction strongly depends on the acid concentration of the medium. By adding strong acid or base to the perturbing solutions, the magnitude and the direction of the frequency changes concomitant to excitatory or inhibitory perturbations can be controlled independently of the coupling strength. The dynamics of two BZ oscillators coupled through perturbations carrying a coupling agent (activator or inhibitor) and a frequency modulator (strong acid or base) was explored using a numerical model of the system. Here, we report new complex temporal patterns: higher order, partially synchronized modes that develop when inhibitory coupling is combined with positive frequency modulation (FM), and complex bursting patterns when excitatory coupling is combined with negative FM. The role of time delay between the peak and perturbation (the analog of synaptic delays in networks of neurons) has also been studied. The complex patterns found under inhibitory coupling and positive FM vanish when the delay is significant, whereas a sufficiently long time delay is required for the complex temporal dynamics to occur when coupling is excitatory and FM is negative.

Scale size-dependent characteristics of the nightside aurora

NASA Astrophysics Data System (ADS)

Humberset, B. K.; Gjerloev, J. W.; Samara, M.; Michell, R. G.

2017-02-01

We have determined the spatiotemporal characteristics of the magnetosphere-ionosphere (M-I) coupling using auroral imaging. Observations at fixed positions for an extended period of time are provided by a ground-based all-sky imager measuring the 557.7 nm auroral emissions. We report on a single event of nightside aurora (˜22 magnetic local time) preceding a substorm onset. To determine the spatiotemporal characteristics, we perform an innovative analysis of an all-sky imager movie (19 min duration, images at 3.31 Hz) that combines a two-dimensional spatial fast Fourier transform with a temporal correlation. We find a scale size-dependent variability where the largest scale sizes are stable on timescales of minutes while the small scale sizes are more variable. When comparing two smaller time intervals of different types of auroral displays, we find a variation in their characteristics. The characteristics averaged over the event are in remarkable agreement with the spatiotemporal characteristics of the nightside field-aligned currents during moderately disturbed times. Thus, two different electrodynamical parameters of the M-I coupling show similar behavior. This gives independent support to the claim of a system behavior that uses repeatable solutions to transfer energy and momentum from the magnetosphere to the ionosphere.

Redox-dependent spatially resolved electrochemistry at graphene and graphite step edges.

PubMed

Güell, Aleix G; Cuharuc, Anatolii S; Kim, Yang-Rae; Zhang, Guohui; Tan, Sze-yin; Ebejer, Neil; Unwin, Patrick R

2015-04-28

The electrochemical (EC) behavior of mechanically exfoliated graphene and highly oriented pyrolytic graphite (HOPG) is studied at high spatial resolution in aqueous solutions using Ru(NH3)6(3+/2+) as a redox probe whose standard potential sits close to the intrinsic Fermi level of graphene and graphite. When scanning electrochemical cell microscopy (SECCM) data are coupled with that from complementary techniques (AFM, micro-Raman) applied to the same sample area, different time-dependent EC activity between the basal planes and step edges is revealed. In contrast, other redox couples (ferrocene derivatives) whose potential is further removed from the intrinsic Fermi level of graphene and graphite show uniform and high activity (close to diffusion-control). Macroscopic voltammetric measurements in different environments reveal that the time-dependent behavior after HOPG cleavage, peculiar to Ru(NH3)6(3+/2+), is not associated particularly with any surface contaminants but is reasonably attributed to the spontaneous delamination of the HOPG with time to create partially coupled graphene layers, further supported by conductive AFM measurements. This process has a major impact on the density of states of graphene and graphite edges, particularly at the intrinsic Fermi level to which Ru(NH3)6(3+/2+) is most sensitive. Through the use of an improved voltammetric mode of SECCM, we produce movies of potential-resolved and spatially resolved HOPG activity, revealing how enhanced activity at step edges is a subtle effect for Ru(NH3)6(3+/2+). These latter studies allow us to propose a microscopic model to interpret the EC response of graphene (basal plane and edges) and aged HOPG considering the nontrivial electronic band structure.

Collective signaling behavior in a networked-oscillator model

NASA Astrophysics Data System (ADS)

Liu, Z.-H.; Hui, P. M.

2007-09-01

We propose and study the collective behavior of a model of networked signaling objects that incorporates several ingredients of real-life systems. These ingredients include spatial inhomogeneity with grouping of signaling objects, signal attenuation with distance, and delayed and impulsive coupling between non-identical signaling objects. Depending on the coupling strength and/or time-delay effect, the model exhibits completely, partially, and locally collective signaling behavior. In particular, a correlated signaling (CS) behavior is observed in which there exist time durations when nearly a constant fraction of oscillators in the system are in the signaling state. These time durations are much longer than the duration of a spike when a single oscillator signals, and they are separated by regular intervals in which nearly all oscillators are silent. Such CS behavior is similar to that observed in biological systems such as fireflies, cicadas, crickets, and frogs. The robustness of the CS behavior against noise is also studied. It is found that properly adjusting the coupling strength and noise level could enhance the correlated behavior.

Time delay in the Kuramoto model of coupled-phase oscillators

NASA Astrophysics Data System (ADS)

Yeung, Man Kit Stephen

1999-10-01

The Kuramoto model is a mean-field model of coupled phase oscillators with distributed natural frequencies. It was proposed to study collective synchronization in large systems of nonlinear oscillators. Here we generalize this model to allow time-delayed interactions. Despite the delay, synchronization is still possible. We derive exact stability conditions for the incoherent state, and for synchronized states and clustering states in the special case of noiseless identical oscillators. We also study the bifurcations of these states. We find that the incoherent state loses stability in a Hopf bifurcation. In the absence of noise, this leads to partial synchrony, where some oscillators are entrained to a common frequency. New phenomena caused by the delay include multistability among synchronization, incoherence, and clustering; and unsteady solutions with time-dependent order parameters. The experimental implications of the model are discussed for populations of chirping crickets, where the finite speed of sound causes communication delays, and for physical systems such as coupled phase- locked loops, lasers, and communication satellites.

Time-domain calculations of the polarized Raman spectra, the transient infrared absorption anisotropy, and the extent of delocalization of the OH stretching mode of liquid water.

PubMed

Torii, Hajime

2006-08-03

The polarized Raman spectrum and the time dependence of the transient infrared (TRIR) absorption anisotropy are calculated for the OH stretching mode of liquid water (neat liquid H2O) by using time-domain formulations, which include the effects of both the diagonal frequency modulations (of individual oscillators) induced by the interactions between the dipole derivatives and the intermolecular electric field, and the off-diagonal (intermolecular) vibrational coupling described by the transition dipole coupling (TDC) mechanism. The IR spectrum of neat liquid H2O and the TRIR anisotropy of a liquid mixture of H2O/HDO/D2O are also calculated. It is shown that the calculated features of these optical signals, including the temperature dependence of the polarized Raman and IR spectra, are in reasonable agreement with the experimental results, indicating that the frequency separation between the isotropic and anisotropic components of the polarized Raman spectrum and the rapid decay (approximately 0.1 ps) of the TRIR anisotropy of the OH stretching mode of neat liquid H2O are mainly controlled by the resonant intermolecular vibrational coupling described by the TDC mechanism. Comparing with the time evolution of vibrational excitations, it is suggested that the TRIR anisotropy decays in the time needed for the initially localized vibrational excitations to delocalize over a few oscillators. It is also shown that the enhancement of the dipole derivatives by the interactions with surrounding molecules is an important factor in generating the spectral profiles of the OH stretching Raman band. The time-domain behavior of the molecular motions that affect the spectroscopic features is discussed.

Middle atmosphere electrical energy coupling

NASA Technical Reports Server (NTRS)

Hale, L. C.

1989-01-01

The middle atmosphere (MA) has long been known as an absorber of radio waves, and as a region of nonlinear interactions among waves. The region of highest transverse conductivity near the top of the MA provides a common return for global thunderstorm, auroral Birkeland, and ionospheric dynamo currents, with possibilities for coupling among them. Their associated fields and other transverse fields map to lower altitudes depending on scale size. Evidence now exists for motion-driven aerosol generators, and for charge trapped at the base of magnetic field lines, both capable of producing large MA electric fields. Ionospheric Maxwell currents (curl H) parallel to the magnetic field appear to map to lower altitudes, with rapidly time-varying components appearing as displacement currents in the stratosphere. Lightning couples a (primarily ELF and ULF) current transient to the ionosphere and magnetosphere whose wave shape is largely dependent on the MA conductivity profile. Electrical energy is of direct significance mainly in the upper MA, but electrodynamic transport of minor constituents such as smoke particles or CN may be important at other altitudes.

Diffusion of Conserved Charges in Relativistic Heavy Ion Collisions

NASA Astrophysics Data System (ADS)

Greif, Moritz; Fotakis, Jan. A.; Denicol, Gabriel S.; Greiner, Carsten

2018-06-01

We demonstrate that the diffusion currents do not depend only on gradients of their corresponding charge density, but that the different diffusion charge currents are coupled. This happens in such a way that it is possible for density gradients of a given charge to generate dissipative currents of another charge. Within this scheme, the charge diffusion coefficient is best viewed as a matrix, in which the diagonal terms correspond to the usual charge diffusion coefficients, while the off-diagonal terms describe the coupling between the different currents. In this Letter, we calculate for the first time the complete diffusion matrix for hot and dense nuclear matter, including baryon, electric, and strangeness charges. We find that the baryon diffusion current is strongly affected by baryon charge gradients but also by its coupling to gradients in strangeness. The electric charge diffusion current is found to be strongly affected by electric and strangeness gradients, whereas strangeness currents depend mostly on strange and baryon gradients.

Rupture dynamics along bimaterial interfaces: a parametric study of the coupling between interfacial sliding and normal traction perturbation

NASA Astrophysics Data System (ADS)

Scala, Antonio; Festa, Gaetano; Vilotte, Jean-Pierre

2017-04-01

Earthquake ruptures often develop along faults separating materials with dissimilar elastic properties. Due to the broken symmetry, the propagation of the rupture along the bimaterial interface is driven by the coupling between interfacial sliding and normal traction perturbations. We numerically investigate in-plane rupture growth along a planar interface, under slip weakening friction, separating two dissimilar isotropic linearly elastic half-spaces. We perform a parametric study of the classical Prakash-Clifton regularisation for different material contrasts. In particular mesh-dependence and regularisation-dependence of the numerical solutions are analysed in this parameter space. When regularisation involves a slip-rate dependent relaxation time, a characteristic sliding distance is identified below which numerical solutions no longer depend on the regularisation parameter, i.e. they are consistent solutions of the same physical problem. Such regularisation provides an adaptive high-frequency filter of the slip-induced normal traction perturbations, following the dynamic shrinking of the dissipation zone during the acceleration phase. In contrast, regularisation involving a constant relaxation time leads to numerical solutions that always depend on the regularisation parameter since it fails adapting to the shrinking of the process zone. Dynamic regularisation is further investigated using a non-local regularisation based on a relaxation time that depends on the dynamic length of the dissipation zone. Such reformulation is shown to provide similar results as the dynamic time scale regularisation proposed by Prakash-Clifton when slip rate is replaced by the maximum slip rate along the sliding interface. This leads to the identification of a dissipative length scale associated with the coupling between interfacial sliding and normal traction perturbations, together with a scaling law between the maximum slip rate and the dynamic size of the process zone during the rupture propagation. Dynamic time scale regularisation is show to provide mesh-independent and physically well-posed numerical solutions during the acceleration phase toward an asymptotic speed. When generalised Rayleigh wave does not exist, numerical solutions are shown to tend toward an asymptotic velocity higher than the slowest shear wave speed. When generalised Rayleigh wave speed exists, as numerical solutions tend toward this velocity, increasing spurious oscillations develop and solutions become unstable. In this regime regularisation dependent and unstable finite-size pulses may be generated. This instability is associated with the singular behaviour of the slip-induced normal traction perturbations, and of the slip rate at the rupture front, in relation with complete shrinking of the dissipation zone. This phase requires to be modelled either by more complex interface constitutive laws involving velocity-strengthening effects that may stabilize short wavelength interfacial propagating modes or by considering non-ideal interfaces that introduce a new length scale in the problem that may promote selection and stabilization of the slip pulses.

The long-term performance degradation of a radioisotope thermoelectric generator using silicon germanium

NASA Technical Reports Server (NTRS)

Stapfer, G.; Truscello, V. C.

1976-01-01

The successful utilization of a radioisotope thermoelectric generator (RTG) as the power source for spaceflight missions requires that the performance of such an RTG be predictable throughout the mission. Several mechanisms occur within the generator which tend to degrade the performance as a function of operating time. The impact which these mechanisms have on the available output power of an RTG depends primarily on such factors as time, temperature and self-limiting effects. The relative magnitudes, rates and temperature dependency of these various degradation mechanisms have been investigated separately by coupon experiments as well as 4-couple and 18-couple module experiments. This paper discusses the different individual mechanisms and summarizes their combined influence on the performance of an RTG. Also presented as part of the RTG long-term performance characteristics is the sensitivity of the available RTG output power to variations of the individual degradation mechanisms thus identifying the areas of greatest concern for a successful long-term mission.

Finite Element Analysis of Poroelastic Composites Undergoing Thermal and Gas Diffusion

NASA Technical Reports Server (NTRS)

Salamon, N. J. (Principal Investigator); Sullivan, Roy M.; Lee, Sunpyo

1995-01-01

A theory for time-dependent thermal and gas diffusion in mechanically time-rate-independent anisotropic poroelastic composites has been developed. This theory advances previous work by the latter two authors by providing for critical transverse shear through a three-dimensional axisymmetric formulation and using it in a new hypothesis for determining the Biot fluid pressure-solid stress coupling factor. The derived governing equations couple material deformation with temperature and internal pore pressure and more strongly couple gas diffusion and heat transfer than the previous theory. Hence the theory accounts for the interactions between conductive heat transfer in the porous body and convective heat carried by the mass flux through the pores. The Bubnov Galerkin finite element method is applied to the governing equations to transform them into a semidiscrete finite element system. A numerical procedure is developed to solve the coupled equations in the space and time domains. The method is used to simulate two high temperature tests involving thermal-chemical decomposition of carbon-phenolic composites. In comparison with measured data, the results are accurate. Moreover unlike previous work, for a single set of poroelastic parameters, they are consistent with two measurements in a restrained thermal growth test.

Rotating Hele-Shaw cell with a time-dependent angular velocity

NASA Astrophysics Data System (ADS)

Anjos, Pedro H. A.; Alvarez, Victor M. M.; Dias, Eduardo O.; Miranda, José A.

2017-12-01

Despite the large number of existing studies of viscous flows in rotating Hele-Shaw cells, most investigations analyze rotational motion with a constant angular velocity, under vanishing Reynolds number conditions in which inertial effects can be neglected. In this work, we examine the linear and weakly nonlinear dynamics of the interface between two immiscible fluids in a rotating Hele-Shaw cell, considering the action of a time-dependent angular velocity, and taking into account the contribution of inertia. By using a generalized Darcy's law, we derive a second-order mode-coupling equation which describes the time evolution of the interfacial perturbation amplitudes. For arbitrary values of viscosity and density ratios, and for a range of values of a rotational Reynolds number, we investigate how the time-dependent angular velocity and inertia affect the important finger competition events that traditionally arise in rotating Hele-Shaw flows.

Time-dependent density functional theory description of total photoabsorption cross sections

NASA Astrophysics Data System (ADS)

Tenorio, Bruno Nunes Cabral; Nascimento, Marco Antonio Chaer; Rocha, Alexandre Braga

2018-02-01

The time-dependent version of the density functional theory (TDDFT) has been used to calculate the total photoabsorption cross section of a number of molecules, namely, benzene, pyridine, furan, pyrrole, thiophene, phenol, naphthalene, and anthracene. The discrete electronic pseudo-spectra, obtained in a L2 basis set calculation were used in an analytic continuation procedure to obtain the photoabsorption cross sections. The ammonia molecule was chosen as a model system to compare the results obtained with TDDFT to those obtained with the linear response coupled cluster approach in order to make a link with our previous work and establish benchmarks.

Quantum process tomography with informational incomplete data of two J-coupled heterogeneous spins relaxation in a time window much greater than T1

NASA Astrophysics Data System (ADS)

Maciel, Thiago O.; Vianna, Reinaldo O.; Sarthour, Roberto S.; Oliveira, Ivan S.

2015-11-01

We reconstruct the time dependent quantum map corresponding to the relaxation process of a two-spin system in liquid-state NMR at room temperature. By means of quantum tomography techniques that handle informational incomplete data, we show how to properly post-process and normalize the measurements data for the simulation of quantum information processing, overcoming the unknown number of molecules prepared in a non-equilibrium magnetization state (Nj) by an initial sequence of radiofrequency pulses. From the reconstructed quantum map, we infer both longitudinal (T1) and transversal (T2) relaxation times, and introduce the J-coupling relaxation times ({T}1J,{T}2J), which are relevant for quantum information processing simulations. We show that the map associated to the relaxation process cannot be assumed approximated unital and trace-preserving for times greater than {T}2J.

Coupled calculation of the radiological release and the thermal-hydraulic behavior of a 3-loop PWR after a SGTR by means of the code RELAP5

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Hove, W.; Van Laeken, K.; Bartsoen, L.

1995-09-01

To enable a more realistic and accurate calculation of the radiological consequences of a SGTR, a fission product transport model was developed. As the radiological releases strongly depend on the thermal-hydraulic transient, the model was included in the RELAP5 input decks of the Belgian NPPs. This enables the coupled calculation of the thermal-hydraulic transient and the radiological release. The fission product transport model tracks the concentration of the fission products in the primary circuit, in each of the SGs as well as in the condenser. This leads to a system of 6 coupled, first order ordinary differential equations with timemore » dependent coefficients. Flashing, scrubbing, atomisation and dry out of the break flow are accounted for. Coupling with the thermal-hydraulic calculation and correct modelling of the break position enables an accurate calculation of the mixture level above the break. Pre- and post-accident spiking in the primary circuit are introduced. The transport times in the FW-system and the SG blowdown system are also taken into account, as is the decontaminating effect of the primary make-up system and of the SG blowdown system. Physical input parameters such as the partition coefficients, half life times and spiking coefficients are explicitly introduced so that the same model can be used for iodine, caesium and noble gases.« less

Pressure induced ageing of polymers

NASA Technical Reports Server (NTRS)

Emri, I.; Knauss, W. G.

1988-01-01

The nonlinearly viscoelastic response of an amorphous homopolymer is considered under aspects of time dependent free volume behavior. In contrast to linearly viscoelastic solids, this model couples shear and volume deformation through a shift function which influences the rate of molecular relaxation or creep. Sample computations produce all those qualitative features one observes normally in uniaxial tension including the rate dependent formation of a yield point as a consequence of the history of an imposed pressure.

Central and peripheral clocks are coupled by a neuropeptide pathway in Drosophila

PubMed Central

Selcho, Mareike; Millán, Carola; Palacios-Muñoz, Angelina; Ruf, Franziska; Ubillo, Lilian; Chen, Jiangtian; Bergmann, Gregor; Ito, Chihiro; Silva, Valeria; Wegener, Christian; Ewer, John

2017-01-01

Animal circadian clocks consist of central and peripheral pacemakers, which are coordinated to produce daily rhythms in physiology and behaviour. Despite its importance for optimal performance and health, the mechanism of clock coordination is poorly understood. Here we dissect the pathway through which the circadian clock of Drosophila imposes daily rhythmicity to the pattern of adult emergence. Rhythmicity depends on the coupling between the brain clock and a peripheral clock in the prothoracic gland (PG), which produces the steroid hormone, ecdysone. Time information from the central clock is transmitted via the neuropeptide, sNPF, to non-clock neurons that produce the neuropeptide, PTTH. These secretory neurons then forward time information to the PG clock. We also show that the central clock exerts a dominant role on the peripheral clock. This use of two coupled clocks could serve as a paradigm to understand how daily steroid hormone rhythms are generated in animals. PMID:28555616

Coupling effects for separate spatial solitons in a biased series centrosymmetric photorefractive crystal circuit considering grey solitons

NASA Astrophysics Data System (ADS)

Katti, Aavishkar; Yadav, Ram Anjore

2018-02-01

The existence and coupling of grey-grey, grey-bright and grey-dark separate spatial solitons in a biased series centrosymmetric photorefractive crystal circuit is investigated for the first time. The numerical solution of the separate spatial solitons is presented. The coupling between the two separate spatial solitons is analysed for all three cases of separate coupled solitons, namely grey-grey, grey-bright, and grey-dark. Changing the intensity of the soliton in one crystal affects the soliton in both crystals due to flow of the light induced current through the circuit. The effect of the background intensity of each crystal on both the spatial solitons is investigated. Also, the effect of changing the temperature of one crystal affects the soliton in both crystals due to the coupling effect. The soliton width dependence on the temperature is different for each crystal.

Inverse engineering for fast transport and spin control of spin-orbit-coupled Bose-Einstein condensates in moving harmonic traps

NASA Astrophysics Data System (ADS)

Chen, Xi; Jiang, Ruan-Lei; Li, Jing; Ban, Yue; Sherman, E. Ya.

2018-01-01

We investigate fast transport and spin manipulation of tunable spin-orbit-coupled Bose-Einstein condensates in a moving harmonic trap. Motivated by the concept of shortcuts to adiabaticity, we design inversely the time-dependent trap position and spin-orbit-coupling strength. By choosing appropriate boundary conditions we obtain fast transport and spin flip simultaneously. The nonadiabatic transport and relevant spin dynamics are illustrated with numerical examples and compared with the adiabatic transport with constant spin-orbit-coupling strength and velocity. Moreover, the influence of nonlinearity induced by interatomic interaction is discussed in terms of the Gross-Pitaevskii approach, showing the robustness of the proposed protocols. With the state-of-the-art experiments, such an inverse engineering technique paves the way for coherent control of spin-orbit-coupled Bose-Einstein condensates in harmonic traps.

Force field refinement from NMR scalar couplings

NASA Astrophysics Data System (ADS)

Huang, Jing; Meuwly, Markus

2012-03-01

NMR observables contain valuable information about the protein dynamics sampling a high-dimensional potential energy surface. Depending on the observable, the dynamics is sensitive to different time-windows. Scalar coupling constants hJ reflect the pico- to nanosecond motions associated with the intermolecular hydrogen bond network. Including an explicit H-bond in the molecular mechanics with proton transfer (MMPT) potential allows us to reproduce experimentally determined hJ couplings to within 0.02 Hz at best for ubiquitin and protein G. This is based on taking account of the chemically changing environment by grouping the H-bonds into up to seven classes. However, grouping them into two classes already reduces the RMSD between computed and observed hJ couplings by almost 50%. Thus, using ensemble-averaged data with two classes of H-bonds leads to substantially improved scalar couplings from simulations with accurate force fields.

Real-time decay of a highly excited charge carrier in the one-dimensional Holstein model

NASA Astrophysics Data System (ADS)

Dorfner, F.; Vidmar, L.; Brockt, C.; Jeckelmann, E.; Heidrich-Meisner, F.

2015-03-01

We study the real-time dynamics of a highly excited charge carrier coupled to quantum phonons via a Holstein-type electron-phonon coupling. This is a prototypical example for the nonequilibrium dynamics in an interacting many-body system where excess energy is transferred from electronic to phononic degrees of freedom. We use diagonalization in a limited functional space (LFS) to study the nonequilibrium dynamics on a finite one-dimensional chain. This method agrees with exact diagonalization and the time-evolving block-decimation method, in both the relaxation regime and the long-time stationary state, and among these three methods it is the most efficient and versatile one for this problem. We perform a comprehensive analysis of the time evolution by calculating the electron, phonon and electron-phonon coupling energies, and the electronic momentum distribution function. The numerical results are compared to analytical solutions for short times, for a small hopping amplitude and for a weak electron-phonon coupling. In the latter case, the relaxation dynamics obtained from the Boltzmann equation agrees very well with the LFS data. We also study the time dependence of the eigenstates of the single-site reduced density matrix, which defines the so-called optimal phonon modes. We discuss their structure in nonequilibrium and the distribution of their weights. Our analysis shows that the structure of optimal phonon modes contains very useful information for the interpretation of the numerical data.

Observation of 1-D time dependent non-propagating laser plasma structures using fluid and PIC codes

NASA Astrophysics Data System (ADS)

Verma, Deepa; Bera, Ratan Kumar; Kumar, Atul; Patel, Bhavesh; Das, Amita

2017-12-01

The manuscript reports the observation of time dependent localized and non-propagating structures in the coupled laser plasma system through 1-D fluid and Particle-In-Cell (PIC) simulations. It is reported that such structures form spontaneously as a result of collision amongst certain exact solitonic solutions. They are seen to survive as coherent entities for a long time up to several hundreds of plasma periods. Furthermore, it is shown that such time dependence can also be artificially recreated by significantly disturbing the delicate balance between the radiation and the density fields required for the exact non-propagating solution obtained by Esirkepov et al., JETP 68(1), 36-41 (1998). The ensuing time evolution is an interesting interplay between kinetic and field energies of the system. The electrostatic plasma oscillations are coupled with oscillations in the electromagnetic field. The inhomogeneity of the background and the relativistic nature, however, invariably produces large amplitude density perturbations leading to its wave breaking. In the fluid simulations, the signature of wave breaking can be discerned by a drop in the total energy which evidently gets lost to the grid. The PIC simulations are observed to closely follow the fluid simulations till the point of wave breaking. However, the total energy in the case of PIC simulations is seen to remain conserved throughout the simulations. At the wave breaking, the particles are observed to acquire thermal kinetic energy in the case of PIC. Interestingly, even after wave breaking, compact coherent structures with trapped radiation inside high-density peaks continue to exist both in PIC and fluid simulations. Although the time evolution does not exactly match in the two simulations as it does prior to the process of wave breaking, the time-dependent features exhibited by the remnant structures are characteristically similar.

Real-time label-free quantitative fluorescence microscopy-based detection of ATP using a tunable fluorescent nano-aptasensor platform

NASA Astrophysics Data System (ADS)

Shrivastava, Sajal; Sohn, Il-Yung; Son, Young-Min; Lee, Won-Il; Lee, Nae-Eung

2015-11-01

Although real-time label-free fluorescent aptasensors based on nanomaterials are increasingly recognized as a useful strategy for the detection of target biomolecules with high fidelity, the lack of an imaging-based quantitative measurement platform limits their implementation with biological samples. Here we introduce an ensemble strategy for a real-time label-free fluorescent graphene (Gr) aptasensor platform. This platform employs aptamer length-dependent tunability, thus enabling the reagentless quantitative detection of biomolecules through computational processing coupled with real-time fluorescence imaging data. We demonstrate that this strategy effectively delivers dose-dependent quantitative readouts of adenosine triphosphate (ATP) concentration on chemical vapor deposited (CVD) Gr and reduced graphene oxide (rGO) surfaces, thereby providing cytotoxicity assessment. Compared with conventional fluorescence spectrometry methods, our highly efficient, universally applicable, and rational approach will facilitate broader implementation of imaging-based biosensing platforms for the quantitative evaluation of a range of target molecules.Although real-time label-free fluorescent aptasensors based on nanomaterials are increasingly recognized as a useful strategy for the detection of target biomolecules with high fidelity, the lack of an imaging-based quantitative measurement platform limits their implementation with biological samples. Here we introduce an ensemble strategy for a real-time label-free fluorescent graphene (Gr) aptasensor platform. This platform employs aptamer length-dependent tunability, thus enabling the reagentless quantitative detection of biomolecules through computational processing coupled with real-time fluorescence imaging data. We demonstrate that this strategy effectively delivers dose-dependent quantitative readouts of adenosine triphosphate (ATP) concentration on chemical vapor deposited (CVD) Gr and reduced graphene oxide (rGO) surfaces, thereby providing cytotoxicity assessment. Compared with conventional fluorescence spectrometry methods, our highly efficient, universally applicable, and rational approach will facilitate broader implementation of imaging-based biosensing platforms for the quantitative evaluation of a range of target molecules. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr05839b

Small FDIRC designs

DOE PAGES

Dey, B.; Ratcliff, B.; Va’vra, J.

2017-02-16

In this article, we explore the angular resolution limits attainable in small FDIRC designs taking advantage of the new highly pixelated detectors that are now available. Since the basic FDIRC design concept attains its particle separation performance mostly in the angular domain as measured by two-dimensional pixels, this paper relies primarily on a pixel-based analysis, with additional chromatic corrections using the time domain, requiring single photon timing resolution at a level of 100–200 ps only. This approach differs from other modern DIRC design concepts such as TOP or TORCH detectors, whose separation performances rely more strongly on time-dependent analyses. Inmore » conclusion, we find excellent single photon resolution with a geometry where individual bars are coupled to a single plate, which is coupled in turn to a cylindrical lens focusing camera.« less

Small FDIRC designs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dey, B.; Ratcliff, B.; Va’vra, J.

In this article, we explore the angular resolution limits attainable in small FDIRC designs taking advantage of the new highly pixelated detectors that are now available. Since the basic FDIRC design concept attains its particle separation performance mostly in the angular domain as measured by two-dimensional pixels, this paper relies primarily on a pixel-based analysis, with additional chromatic corrections using the time domain, requiring single photon timing resolution at a level of 100–200 ps only. This approach differs from other modern DIRC design concepts such as TOP or TORCH detectors, whose separation performances rely more strongly on time-dependent analyses. Inmore » conclusion, we find excellent single photon resolution with a geometry where individual bars are coupled to a single plate, which is coupled in turn to a cylindrical lens focusing camera.« less

Nonreciprocity in the dynamics of coupled oscillators with nonlinearity, asymmetry, and scale hierarchy

NASA Astrophysics Data System (ADS)

Moore, Keegan J.; Bunyan, Jonathan; Tawfick, Sameh; Gendelman, Oleg V.; Li, Shuangbao; Leamy, Michael; Vakakis, Alexander F.

2018-01-01

In linear time-invariant dynamical and acoustical systems, reciprocity holds by the Onsager-Casimir principle of microscopic reversibility, and this can be broken only by odd external biases, nonlinearities, or time-dependent properties. A concept is proposed in this work for breaking dynamic reciprocity based on irreversible nonlinear energy transfers from large to small scales in a system with nonlinear hierarchical internal structure, asymmetry, and intentional strong stiffness nonlinearity. The resulting nonreciprocal large-to-small scale energy transfers mimic analogous nonlinear energy transfer cascades that occur in nature (e.g., in turbulent flows), and are caused by the strong frequency-energy dependence of the essentially nonlinear small-scale components of the system considered. The theoretical part of this work is mainly based on action-angle transformations, followed by direct numerical simulations of the resulting system of nonlinear coupled oscillators. The experimental part considers a system with two scales—a linear large-scale oscillator coupled to a small scale by a nonlinear spring—and validates the theoretical findings demonstrating nonreciprocal large-to-small scale energy transfer. The proposed study promotes a paradigm for designing nonreciprocal acoustic materials harnessing strong nonlinearity, which in a future application will be implemented in designing lattices incorporating nonlinear hierarchical internal structures, asymmetry, and scale mixing.

Temperature dependence of interlayer coupling in perpendicular magnetic tunnel junctions with GdOx barriers

DOE PAGES

Newhouse-Illige, T.; Xu, Y. H.; Liu, Y. H.; ...

2018-02-13

Perpendicular magnetic tunnel junctions with GdO X tunneling barriers have shown a unique voltage controllable interlayer magnetic coupling effect. Here we investigate the quality of the GdO X barrier and the coupling mechanism in these junctions by examining the temperature dependence of the tunneling magnetoresistance and the interlayer coupling from room temperature down to 11 K. The barrier is shown to be of good quality with the spin independent conductance only contributing a small portion, 14%, to the total room temperature conductance, similar to AlO X and MgO barriers. The interlayer coupling, however, shows an anomalously strong temperature dependence includingmore » sign changes below 80 K. This non-trivial temperature dependence is not described by previous models of interlayer coupling and may be due to the large induced magnetic moment of the Gd ions in the barrier.« less

Temperature dependence of interlayer coupling in perpendicular magnetic tunnel junctions with GdOx barriers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newhouse-Illige, T.; Xu, Y. H.; Liu, Y. H.

Perpendicular magnetic tunnel junctions with GdO X tunneling barriers have shown a unique voltage controllable interlayer magnetic coupling effect. Here we investigate the quality of the GdO X barrier and the coupling mechanism in these junctions by examining the temperature dependence of the tunneling magnetoresistance and the interlayer coupling from room temperature down to 11 K. The barrier is shown to be of good quality with the spin independent conductance only contributing a small portion, 14%, to the total room temperature conductance, similar to AlO X and MgO barriers. The interlayer coupling, however, shows an anomalously strong temperature dependence includingmore » sign changes below 80 K. This non-trivial temperature dependence is not described by previous models of interlayer coupling and may be due to the large induced magnetic moment of the Gd ions in the barrier.« less

Tympanic-response transition in ICE: Dependence upon the interaural cavity's shape

NASA Astrophysics Data System (ADS)

van Hemmen, J. Leo

More than half of the terrestrial vertebrates have internally coupled ears (ICE), where an interaural cavity of some shape acoustically couples the eardrums. Hence what the animal's auditory system perceives is not the outside stimulus but the superposition of outside and internal pressure on the two eardrums, resulting in so-called internal time and level difference, iTD and iLD, which are keys to sound localization. For a cylindrical shape, it is known that on the frequency axis two domains with appreciably increased iTD and iLD values occur, segregated by the eardrum's fundamental frequency. Here we analyze the case where, as in nature, two or more canals couple the eardrums so that, by opening one of the canals, the animal can switch from coupled to two independent ears. We analyze the iTD/iLD transition and its dependence upon the interaural cavity's size and shape. As compared to a single connection, the iTD performance is preserved to a large extent. Nonetheless, the price to pay for freedom of choice is a reduced frequency range with high-iTD plateau. Work done in collaboration with A.P. Vedurmudi; partially supported by BCCN-Munich.

Magnetosphere-ionosphere coupling: processes and rates

NASA Astrophysics Data System (ADS)

Lotko, W.

Magnetosphere-ionosphere coupling describes the interaction between the collisionless plasma of the magnetosphere and the ionized and neutral collisional gases of the ionosphere and thermosphere. This coupling introduces feedback and scale interactivity in the form of a time-variable mass flux, electron energy flux and Poynting flux flowing between the two regions. Although delineation of an MI coupling region is somewhat ambiguous, at mid and high latitudes it may be considered as the region of the topside ionosphere and low-altitude magnetosphere where electromagnetic energy is converted to plasma beams and heat via collisionless dissipation processes. Above this region the magnetically guided transmission of electromagnetic power from distant magnetospheric dynamos encounters only weak attenuation. The ionospheric region below it is dominated by ionization processes and collisional cross-field transport and current closure. This tutorial will use observations, models and theory to characterize three major issues in MI coupling: (1) the production of plasma beams and heat in the coupling region; (2) the acceleration of ions leading to massive outflows; and (3) the length and time scale dependence of electromagnetic energy deposition at low altitude. Our success in identifying many of the key processes is offset by a lack of quantitative understanding of the factors controlling the rates of energy deposition and of the production of particle energy and mass fluxes.

Tunable-cavity QED with phase qubits

NASA Astrophysics Data System (ADS)

Whittaker, Jed D.; da Silva, Fabio; Allman, Michael Shane; Lecocq, Florent; Cicak, Katarina; Sirois, Adam; Teufel, John; Aumentado, Jose; Simmonds, Raymond W.

2014-03-01

We describe a tunable-cavity QED architecture with an rf SQUID phase qubit inductively coupled to a single-mode, resonant cavity with a tunable frequency that allows for both tunneling and dispersive measurements. Dispersive measurement is well characterized by a three-level model, strongly dependent on qubit anharmonicity, qubit-cavity coupling and detuning. The tunable cavity frequency provides dynamic control over the coupling strength and qubit-cavity detuning helping to minimize Purcell losses and cavity-induced dephasing during qubit operation. The maximum decay time T1 = 1 . 5 μs is limited by dielectric losses from a design geometry similar to planar transmon qubits. This work supported by NIST and NSA grant EAO140639.

Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion.

PubMed

Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R; Hildenbrand, Heiko; Engel, Volker

2015-07-28

We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

Role of Frequency Chirp and Energy Flow Directionality in the Strong Coupling Regime of Brillouin-Based Plasma Amplification.

PubMed

Chiaramello, M; Amiranoff, F; Riconda, C; Weber, S

2016-12-02

A detailed analysis is presented of the various stages of strong coupling Brillouin plasma amplification, emphasizing the importance of the chirp which can be of threefold origin: the intrinsic one driven by the amplification process, the one originating from the chirped-pulse-generated laser pulses, and the one associated with the plasma profile. Control of the overall chirp can optimize or quench the energy transfer. The time-dependent phase relation explains the energy flow direction during amplification and is characteristic for this strong coupling process. The study is also of potential importance to understand and maybe control cross-beam-energy transfer in inertial confinement fusion.

Crossover from BCS to Bose superconductivity: A functional integral approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Randeria, M.; Sa de Melo, C.A.R.; Engelbrecht, J.R.

1993-04-01

We use a functional integral formulation to study the crossover from cooperative Cooper pairing to the formation and condensation of tightly bound pairs in a 3D continuum model of fermions with attractive interactions. The inadequacy of a saddle point approximation with increasing coupling is pointed out, and the importance of temporal (quantum) fluctuations for normal state properties at intermediate and strong coupling is emphasized. In addition to recovering the Nozieres-Schmitt-Pink interpolation scheme for T{sub c}, and the Leggett variational results for T = 0, we also present results for evolution of the time-dependent Ginzburg-Landau equation and collective mode spectrum asmore » a function of the coupling.« less

Magnetic coupling between liquid 3He and a solid state substrate: a new approach

NASA Astrophysics Data System (ADS)

Klochkov, Alexander V.; Naletov, Vladimir V.; Tayurskii, Dmitrii A.; Tagirov, Murat S.; Suzuki, Haruhiko

2000-07-01

We suggest a new approach for solving the long-standing problem of a magnetic coupling between liquid 3He and a solid state substrate at temperatures above the Fermi temperature. The approach is based on our previous careful investigations of the physical state of a solid substrate by means of several experimental methods (EPR, NMR, conductometry, and magnetization measurements). The developed approach allows, first, to get more detailed information about the magnetic coupling phenomenon by varying the repetition time in pulse NMR investigations of liquid 3He in contact with the solid state substrate and, second, to compare the obtained dependences and the data of NMR-cryoporometry and AFM-microscopy.

Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko

2015-07-28

We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

Acoustic and relaxation behaviors of polydimethylsiloxane studied by using brillouin and dielectric spectroscopies

NASA Astrophysics Data System (ADS)

Lee, Byoung Wan; Ko, Jae-Hyeon; Park, Jaehoon; Shin, Dong-Myeong; Hwang, Yoon-Hwae

2016-04-01

The temperature dependences of the acoustic properties and the dielectric relaxation times of polydimethylsiloxane were investigated by using high-resolution Brillouin and broadband dielectric spectroscopies. The longitudinal sound velocity showed a large increase upon approaching the glass transition temperature while the acoustic absorption coefficient exhibited a maximum at ~263 K. Comparison of these results with previous ultrasonic data revealed a substantial frequency dispersion of the acoustic properties of this silicone-based elastomer. The relaxation times derived from the acoustic absorption peaks were consistent with the temperature dependence of the dielectric relaxation time of the structural a process, indicating a strong coupling between the acoustic waves and the segmental motions of the main chains.

Spin-dependent dwell times of electron tunneling through double- and triple-barrier structures

NASA Astrophysics Data System (ADS)

Erić, Marko; Radovanović, Jelena; Milanović, Vitomir; Ikonić, Zoran; Indjin, Dragan

2008-04-01

We have analyzed the influence of Dresselhaus and Rashba spin-orbit couplings (caused by the bulk inversion asymmetry and the structural asymmetry, respectively) on electron tunneling through a double- and triple-barrier structures, with and without an externally applied electric field. The results indicate that the degree of structural asymmetry and external electric field can greatly affect the dwell times of electrons with opposite spin orientation. This opens up the possibilities of obtaining efficient spin separation in the time domain. The material system of choice is AlxGa1-xSb, and the presented model takes into account the position dependence of material parameters, as well as the effects of band nonparabolicity.

MSC/NASTRAN DMAP Alter Used for Closed-Form Static Analysis With Inertia Relief and Displacement-Dependent Loads

NASA Technical Reports Server (NTRS)

1996-01-01

Solving for the displacements of free-free coupled systems acted upon by static loads is a common task in the aerospace industry. Often, these problems are solved by static analysis with inertia relief. This technique allows for a free-free static analysis by balancing the applied loads with the inertia loads generated by the applied loads. For some engineering applications, the displacements of the free-free coupled system induce additional static loads. Hence, the applied loads are equal to the original loads plus the displacement-dependent loads. A launch vehicle being acted upon by an aerodynamic loading can have such applied loads. The final displacements of such systems are commonly determined with iterative solution techniques. Unfortunately, these techniques can be time consuming and labor intensive. Because the coupled system equations for free-free systems with displacement-dependent loads can be written in closed form, it is advantageous to solve for the displacements in this manner. Implementing closed-form equations in static analysis with inertia relief is analogous to implementing transfer functions in dynamic analysis. An MSC/NASTRAN (MacNeal-Schwendler Corporation/NASA Structural Analysis) DMAP (Direct Matrix Abstraction Program) Alter was used to include displacement-dependent loads in static analysis with inertia relief. It efficiently solved a common aerospace problem that typically has been solved with an iterative technique.

Storm time plasma transport in a unified and inter-coupled global magnetosphere model

NASA Astrophysics Data System (ADS)

Ilie, R.; Liemohn, M. W.; Toth, G.

2014-12-01

We present results from the two-way self-consistent coupling between the kinetic Hot Electron and Ion Drift Integrator (HEIDI) model and the Space Weather Modeling Framework (SWMF). HEIDI solves the time dependent, gyration and bounced averaged kinetic equation for the phase space density of different ring current species and computes full pitch angle distributions for all local times and radial distances. During geomagnetic times the dipole approximation becomes unsuitable even in the inner magnetosphere. Therefore the HEIDI model was generalized to accommodate an arbitrary magnetic field and through the coupling with SWMF it obtains a magnetic field description throughout the HEIDI domain along with a plasma distribution at the model outer boundary from the Block Adaptive Tree Solar Wind Roe Upwind Scheme (BATS-R-US) magnetohydrodynamics (MHD) model within SWMF. Electric field self-consistency is assured by the passing of convection potentials from the Ridley Ionosphere Model (RIM) within SWMF. In this study we test the various levels of coupling between the 3 physics based models, highlighting the role that the magnetic field, plasma sheet conditions and the cross polar cap potential play in the formation and evolution of the ring current. We show that the dynamically changing geospace environment itself plays a key role in determining the geoeffectiveness of the driver. The results of the self-consistent coupling between HEIDI, BATS-R-US and RIM during disturbed conditions emphasize the importance of a kinetic self-consistent approach to the description of geospace.

The Health Hazards of Marriage. A cohort study of work related disability within 12,500 Norwegian couples - the HUNT Study.

PubMed

Vie, Gunnhild Åberge; Krokstad, Steinar; Johnsen, Roar; Bjørngaard, Johan Håkon

2013-07-01

Work disability and sickness absence increase following partner's retirement, which similarities in spouses' health could explain. We therefore studied the risk of work disability within couples, taking account of baseline health, lifestyle and socioeconomic factors. A cohort of 12,511 couples from the HUNT Study (aged 20-67 years in HUNT2, 1995-1997) was linked to national registries, identifying all new cases of disability pension up until December 2007. Data were analysed with discrete time multilevel logistic regression and Cox regression models. Partners' disability pension was included as a time-varying covariate. Follow-up time was split to examine the association dependent of time. Analyses were adjusted for age only, adjusted for health, and for lifestyle and education along with health. About 15% of an individual's propensity to receive a disability pension could be attributed couple similarity. There was an increased risk of work disability following the spouse's disability retirement [HR (hazard ratio) 1.43 (95% confidence interval 1.20-1.71) for men, HR 1.49 (95% confidence interval 1.28-1.74) for women]. The association was somewhat attenuated after adjustments for health, lifestyle and education. There was a substantial clustering of disability pensions within couples, which cannot be explained by similarities in health, lifestyle and education. This suggests partners influence each other's work ability. From a clinical perspective, the family situation needs to be taken into account when addressing health promotion and work participation.

Hydromechanical coupling in fractured rock masses: mechanisms and processes of selected case studies

NASA Astrophysics Data System (ADS)

Zangerl, Christian

2015-04-01

Hydromechanical (HM) coupling in fractured rock play an important role when events including dam failures, landslides, surface subsidences due to water withdrawal or drainage, injection-induced earthquakes and others are analysed. Generally, hydromechanical coupling occurs when a rock mass contain interconnected pores and fractures which are filled with water and pore/fracture pressures evolves. In the on hand changes in the fluid pressure can lead to stress changes, deformations and failures of the rock mass. In the other hand rock mass stress changes and deformations can alter the hydraulic properties and fluid pressures of the rock mass. Herein well documented case studies focussing on surface subsidence due to water withdrawal, reversible deformations of large-scale valley flanks and failure as well as deformation processes of deep-seated rock slides in fractured rock masses are presented. Due to pore pressure variations HM coupling can lead to predominantly reversible rock mass deformations. Such processes can be considered by the theory of poroelasticity. Surface subsidence reaching magnitudes of few centimetres and are caused by water drainage into deep tunnels are phenomenas which can be assigned to processes of poroelasticity. Recently, particular focus was given on large tunnelling projects to monitor and predict surface subsidence in fractured rock mass in oder to avoid damage of surface structures such as dams of large reservoirs. It was found that surface subsidence due to tunnel drainage can adversely effect infrastructure when pore pressure drawdown is sufficiently large and spatially extended and differential displacements which can be amplified due to topographical effects e.g. valley closure are occurring. Reversible surface deformations were also ascertained on large mountain slopes and summits with the help of precise deformation measurements i.e. permanent GPS or episodic levelling/tacheometric methods. These reversible deformations are often in the range of millimetres to a very few centimetres and can be linked to annual groundwater fluctuations. Due to pore pressure variations HM coupling can influence seepage forces and effective stresses in the rock mass. Effective stress changes can adversely affect the stability and deformation behaviour of deep-seated rock slides by influencing the shear strength or the time dependent (viscous) material behaviour of the basal shear zone. The shear strength of active shear zones is often reasonably well described by Coulomb's law. In Coulomb's law the operative normal stresses to the shear surface/zone are effective stresses and hence pore pressures which should be taken into account reduces the shear strength. According to the time dependent material behaviour a few effective stress based viscous models exists which are able to consider pore pressures. For slowly moving rock slides HM coupling could be highly relevant when low-permeability clayey-silty shear zones (fault gouges) are existing. An important parameters therefore is the hydraulic diffusivity, which is controlled by the permeability and fluid-pore compressibility of the shear zone, and by fluid viscosity. Thus time dependent pore pressure diffusion in the shear zone can either control the stability condition or the viscous behaviour (creep) of the rock slide. Numerous cases studies show that HM coupling can effect deformability, shear strength and time dependent behaviour of fractured rock masses. A process-based consideration can be important to avoid unexpected impacts on infrastructures and to understand complex rock mass as well rock slide behaviour.

Metal Accretion onto White Dwarfs. III. A Still Better Approach Based on the Coupling of Diffusion with Evolution

NASA Astrophysics Data System (ADS)

Brassard, Pierre; Fontaine, Gilles

2015-06-01

The accretion-diffusion picture is the model par excellence for describing the presence of planetary debris polluting the atmospheres of relatively cool white dwarfs. In the time-dependent approach used in Paper II of this series (Fontaine et al. 2014), the basic assumption is that the accreted metals are trace elements and do not influence the background structure, which may be considered static in time. Furthermore, the usual assumption of instantaneous mixing in the convection zone is made. As part of the continuing development of our local evolutionary code, diffusion in presence of stellar winds or accretion is now fully coupled to evolution. Convection is treated as a diffusion process, i.e., the assumption of instantaneous mixing is relaxed, and, furthermore, overshooting is included. This allows feedback on the evolving structure from the accreting metals. For instance, depending of its abundance, a given metal may contribute enough to the overall opacity (especially in a He background) to change the size of the convection zone as a function of time. Our better approach also allows to include in a natural way the mechanism of thermohaline convection, which we discuss at some length. Also, it is easy to consider sophisticated time-dependent models of accretion from circumstellar disks, such as those developed by Roman Rafikov at Princeton for instance. The current limitations of our approach are 1) the calculations are extremely computer-intensive, and 2) we have not yet developed detailed EOS megatables for metals beyond oxygen.

Various oscillation patterns in phase models with locally attractive and globally repulsive couplings.

PubMed

Sato, Katsuhiko; Shima, Shin-ichiro

2015-10-01

We investigate a phase model that includes both locally attractive and globally repulsive coupling in one dimension. This model exhibits nontrivial spatiotemporal patterns that have not been observed in systems that contain only local or global coupling. Depending on the relative strengths of the local and global coupling and on the form of global coupling, the system can show a spatially uniform state (in-phase synchronization), a monotonically increasing state (traveling wave), and three types of oscillations of relative phase difference. One of the oscillations of relative phase difference has the characteristic of being locally unstable but globally attractive. That is, any small perturbation to the periodic orbit in phase space destroys its periodic motion, but after a long time the system returns to the original periodic orbit. This behavior is closely related to the emergence of saddle two-cluster states for global coupling only, which are connected to each other by attractive heteroclinic orbits. The mechanism of occurrence of this type of oscillation is discussed.

High modulation bandwidth of a light-emitting diode with surface plasmon coupling (Conference Presentation)

NASA Astrophysics Data System (ADS)

Lin, Chun-Han; Tu, Charng-Gan; Yao, Yu-Feng; Chen, Sheng-Hung; Su, Chia-Ying; Chen, Hao-Tsung; Kiang, Yean-Woei; Yang, Chih-Chung

2017-02-01

Besides lighting, LEDs can be used for indoor data transmission. Therefore, a large modulation bandwidth becomes an important target in the development of visible LED. In this regard, enhancing the radiative recombination rate of carriers in the quantum wells of an LED is a useful method since the modulation bandwidth of an LED is related to the carrier decay rate besides the device RC time constant To increase the carrier decay rate in an LED without sacrificing its output power, the technique of surface plasmon (SP) coupling in an LED is useful. In this paper, the increases of modulation bandwidth by reducing mesa size, decreasing active layer thickness, and inducing SP coupling in blue- and green-emitting LEDs are illustrated. The results are demonstrated by comparing three different LED surface structures, including bare p-type surface, GaZnO current spreading layer, and Ag nanoparticles (NPs) for inducing SP coupling. In a single-quantum-well, blue-emitting LED with a circular mesa of 10 microns in radius, SP coupling results in a modulation bandwidth of 528.8 MHz, which is believed to be the record-high level. A smaller RC time constant can lead to a higher modulation bandwidth. However, when the RC time constant is smaller than 0.2 ns, its effect on modulation bandwidth saturates. The dependencies of modulation bandwidth on injected current density and carrier decay time confirm that the modulation bandwidth is essentially inversely proportional to a time constant, which is inversely proportional to the square-root of carrier decay rate and injected current density.

How does the plasmonic enhancement of molecular absorption depend on the energy gap between molecular excitation and plasmon modes: a mixed TDDFT/FDTD investigation.

PubMed

Sun, Jin; Li, Guang; Liang, WanZhen

2015-07-14

A real-time time-dependent density functional theory coupled with the classical electrodynamics finite difference time domain technique is employed to systematically investigate the optical properties of hybrid systems composed of silver nanoparticles (NPs) and organic adsorbates. The results demonstrate that the molecular absorption spectra throughout the whole energy range can be enhanced by the surface plasmon resonance of Ag NPs; however, the absorption enhancement ratio (AER) for each absorption band differs significantly from the others, leading to the quite different spectral profiles of the hybrid complexes in contrast to those of isolated molecules or sole NPs. Detailed investigations reveal that the AER is sensitive to the energy gap between the molecular excitation and plasmon modes. As anticipated, two separate absorption bands, corresponding to the isolated molecules and sole NPs, have been observed at a large energy gap. When the energy gap approaches zero, the molecular excitation strongly couples with the plasmon mode to form the hybrid exciton band, which possesses the significantly enhanced absorption intensity, a red-shifted peak position, a surprising strongly asymmetric shape of the absorption band, and the nonlinear Fano effect. Furthermore, the dependence of surface localized fields and the scattering response functions (SRFs) on the geometrical parameters of NPs, the NP-molecule separation distance, and the external-field polarizations has also been depicted.

Improving Planck calibration by including frequency-dependent relativistic corrections

NASA Astrophysics Data System (ADS)

Quartin, Miguel; Notari, Alessio

2015-09-01

The Planck satellite detectors are calibrated in the 2015 release using the "orbital dipole", which is the time-dependent dipole generated by the Doppler effect due to the motion of the satellite around the Sun. Such an effect has also relativistic time-dependent corrections of relative magnitude 10-3, due to coupling with the "solar dipole" (the motion of the Sun compared to the CMB rest frame), which are included in the data calibration by the Planck collaboration. We point out that such corrections are subject to a frequency-dependent multiplicative factor. This factor differs from unity especially at the highest frequencies, relevant for the HFI instrument. Since currently Planck calibration errors are dominated by systematics, to the point that polarization data is currently unreliable at large scales, such a correction can in principle be highly relevant for future data releases.

Apparatus for recording emissions from a rapidly generated plasma from a single plasma producing event

DOEpatents

Tan, Tai Ho; Williams, Arthur H.

1985-01-01

An optical fiber-coupled detector visible streak camera plasma diagnostic apparatus. Arrays of optical fiber-coupled detectors are placed on the film plane of several types of particle, x-ray and visible spectrometers or directly in the path of the emissions to be measured and the output is imaged by a visible streak camera. Time and spatial dependence of the emission from plasmas generated from a single pulse of electromagnetic radiation or from a single particle beam burst can be recorded.

Apparatus for recording emissions from a rapidly generated plasma from a single plasma producing event

DOEpatents

Tan, T.H.; Williams, A.H.

An optical fiber-coupled detector visible streak camera plasma diagnostic apparatus. Arrays of optical fiber-coupled detectors are placed on the film plane of several types of particle, x-ray and visible spectrometers or directly in the path of the emissions to be measured and the output is imaged by a visible streak camera. Time and spatial dependence of the emission from plasma generated from a single pulse of electromagnetic radiation or from a single particle beam burst can be recorded.

Derivation of Hodgkin-Huxley equations for a Na+ channel from a master equation for coupled activation and inactivation

NASA Astrophysics Data System (ADS)

Vaccaro, S. R.

2016-11-01

The Na+ current in nerve and muscle membranes may be described in terms of the activation variable m (t ) and the inactivation variable h (t ) , which are dependent on the transitions of S4 sensors of each of the Na+ channel domains DI to DIV. The time-dependence of the Na+ current and the rate equations satisfied by m (t ) and h (t ) may be derived from the solution to a master equation that describes the coupling between two or three activation sensors regulating the Na+ channel conductance and a two-stage inactivation process. If the inactivation rate from the closed or open states increases as the S4 sensors activate, a more general form of the Hodgkin-Huxley expression for the open-state probability may be derived where m (t ) is dependent on both activation and inactivation processes. The voltage dependence of the rate functions for inactivation and recovery from inactivation are consistent with the empirically determined expressions and exhibit saturation for both depolarized and hyperpolarized clamp potentials.

Transient nutation electron spin resonance spectroscopy on spin-correlated radical pairs: A theoretical analysis on hyperfine-induced nuclear modulations

NASA Astrophysics Data System (ADS)

Weber, Stefan; Kothe, Gerd; Norris, James R.

1997-04-01

The influence of anisotropic hyperfine interaction on transient nutation electron paramagnetic resonance (EPR) of light-induced spin-correlated radical pairs is studied theoretically using the density operator formalism. Analytical expressions for the time evolution of the transient EPR signal during selective microwave excitation of single transitions are derived for a model system comprised of a weakly coupled radical pair and one hyperfine-coupled nucleus with I=1/2. Zero-quantum electron coherence and single-quantum nuclear coherence are created as a result of the sudden light-induced generation of the radical pair state from a singlet-state precursor. Depending on the relative sizes of the nuclear Zeeman frequency and the secular and pseudo-secular parts of the hyperfine coupling, transitions between levels with different nuclear spin orientations are predicted to modulate the time-dependent EPR signal. These modulations are in addition to the well-known transient nutations and electron zero-quantum precessions. Our calculations provide insight into the mechanism of recent experimental observations of coherent nuclear modulations in the time-resolved EPR signals of doublets and radical pairs. Two distinct mechanisms of the modulations are presented for various microwave magnetic field strengths. The first modulation scheme arises from electron and nuclear coherences initiated by the laser excitation pulse and is "read out" by the weak microwave magnetic field. While the relative modulation depth of these oscillations with respect to the signal intensity is independent of the Rabi frequency, ω1, the frequencies of this coherence phenomenon are modulated by the effective microwave amplitude and determined by the nuclear Zeeman interaction and hyperfine coupling constants as well as the electron-electron spin exchange and dipolar interactions between the two radical pair halves. In a second mechanism the modulations are both created and detected by the microwave radiation. Here, the laser pulse merely defines the beginning of the microwave-induced coherent time evolution. This second mechanism appears the most consistent with current experimental observations.

Workload and the trajectory of marital satisfaction in newlyweds: job satisfaction, gender, and parental status as moderators.

PubMed

van Steenbergen, Elianne F; Kluwer, Esther S; Karney, Benjamin R

2011-06-01

Stress, on average, is bad for relationships. Yet stress at work is not always associated with negative relationship outcomes. The premise of the current study was that associations between workload and trajectories of marital satisfaction depend on circumstances that may constrain or facilitate partners' ability to negotiate their multiple roles. We hypothesized that the covariance between changes in workload and marital satisfaction over time should be moderated by (a) the extent to which spouses like their work, (b) their parental status, and (c) their gender. Analyses drawing upon eight waves of data on workload, work satisfaction, and marital satisfaction from 169 newlywed couples assessed over four years confirmed these predictions. Specifically, across couples, demands at work covaried positively with marital satisfaction for spouses who were more satisfied with their jobs. For nonparent couples, increases in husbands' workload covaried with increases in marital satisfaction for both spouses. For parent couples, however, increases in husbands' workload covaried with declines in marital satisfaction for both spouses. Unexpectedly, for parent couples, increases in wives' workload corresponded with increased marital satisfaction. Finally, consistent with predictions, wives were more affected by their husbands' workload than vice versa. Thus, tension between work and marriage is not inevitable, instead depending on circumstances that facilitate or impair performance in multiple roles. Couples, employers, and practitioners should recognize the role that external circumstances play in determining how work and marital life interact. 2011 APA, all rights reserved

Relaxation dynamics of a driven two-level system coupled to a Bose-Einstein condensate: application to quantum dot-dipolar exciton gas hybrid systems.

PubMed

Kovalev, Vadim M; Tse, Wang-Kong

2017-11-22

We develop a microscopic theory for the relaxation dynamics of an optically pumped two-level system (TLS) coupled to a bath of weakly interacting Bose gas. Using Keldysh formalism and diagrammatic perturbation theory, expressions for the relaxation times of the TLS Rabi oscillations are derived when the boson bath is in the normal state and the Bose-Einstein condensate (BEC) state. We apply our general theory to consider an irradiated quantum dot coupled with a boson bath consisting of a two-dimensional dipolar exciton gas. When the bath is in the BEC regime, relaxation of the Rabi oscillations is due to both condensate and non-condensate fractions of the bath bosons for weak TLS-light coupling and pre dominantly due to the non-condensate fraction for strong TLS-light coupling. Our theory also shows that a phase transition of the bath from the normal to the BEC state strongly influences the relaxation rate of the TLS Rabi oscillations. The TLS relaxation rate is approximately independent of the pump field frequency and monotonically dependent on the field strength when the bath is in the low-temperature regime of the normal phase. Phase transition of the dipolar exciton gas leads to a non-monotonic dependence of the TLS relaxation rate on both the pump field frequency and field strength, providing a characteristic signature for the detection of BEC phase transition of the coupled dipolar exciton gas.

Homeostatic plasticity for single node delay-coupled reservoir computing.

PubMed

Toutounji, Hazem; Schumacher, Johannes; Pipa, Gordon

2015-06-01

Supplementing a differential equation with delays results in an infinite-dimensional dynamical system. This property provides the basis for a reservoir computing architecture, where the recurrent neural network is replaced by a single nonlinear node, delay-coupled to itself. Instead of the spatial topology of a network, subunits in the delay-coupled reservoir are multiplexed in time along one delay span of the system. The computational power of the reservoir is contingent on this temporal multiplexing. Here, we learn optimal temporal multiplexing by means of a biologically inspired homeostatic plasticity mechanism. Plasticity acts locally and changes the distances between the subunits along the delay, depending on how responsive these subunits are to the input. After analytically deriving the learning mechanism, we illustrate its role in improving the reservoir's computational power. To this end, we investigate, first, the increase of the reservoir's memory capacity. Second, we predict a NARMA-10 time series, showing that plasticity reduces the normalized root-mean-square error by more than 20%. Third, we discuss plasticity's influence on the reservoir's input-information capacity, the coupling strength between subunits, and the distribution of the readout coefficients.

Task-Dependent Changes in Cross-Level Coupling between Single Neurons and Oscillatory Activity in Multiscale Networks

PubMed Central

Canolty, Ryan T.; Ganguly, Karunesh; Carmena, Jose M.

2012-01-01

Understanding the principles governing the dynamic coordination of functional brain networks remains an important unmet goal within neuroscience. How do distributed ensembles of neurons transiently coordinate their activity across a variety of spatial and temporal scales? While a complete mechanistic account of this process remains elusive, evidence suggests that neuronal oscillations may play a key role in this process, with different rhythms influencing both local computation and long-range communication. To investigate this question, we recorded multiple single unit and local field potential (LFP) activity from microelectrode arrays implanted bilaterally in macaque motor areas. Monkeys performed a delayed center-out reach task either manually using their natural arm (Manual Control, MC) or under direct neural control through a brain-machine interface (Brain Control, BC). In accord with prior work, we found that the spiking activity of individual neurons is coupled to multiple aspects of the ongoing motor beta rhythm (10–45 Hz) during both MC and BC, with neurons exhibiting a diversity of coupling preferences. However, here we show that for identified single neurons, this beta-to-rate mapping can change in a reversible and task-dependent way. For example, as beta power increases, a given neuron may increase spiking during MC but decrease spiking during BC, or exhibit a reversible shift in the preferred phase of firing. The within-task stability of coupling, combined with the reversible cross-task changes in coupling, suggest that task-dependent changes in the beta-to-rate mapping play a role in the transient functional reorganization of neural ensembles. We characterize the range of task-dependent changes in the mapping from beta amplitude, phase, and inter-hemispheric phase differences to the spike rates of an ensemble of simultaneously-recorded neurons, and discuss the potential implications that dynamic remapping from oscillatory activity to spike rate and timing may hold for models of computation and communication in distributed functional brain networks. PMID:23284276

Asymmetry of light absorption upon propagation of focused femtosecond laser pulses with spatiotemporal coupling through glass materials

NASA Astrophysics Data System (ADS)

Zhukov, Vladimir P.; Bulgakova, Nadezhda M.

2017-05-01

Ultrashort laser pulses are usually described in terms of temporal and spatial dependences of their electric field, assuming that the spatial dependence is separable from time dependence. However, in most situations this assumption is incorrect as generation of ultrashort pulses and their manipulation lead to couplings between spatial and temporal coordinates resulting in various effects such as pulse front tilt and spatial chirp. One of the most intriguing spatiotemporal coupling effects is the so-called "lighthouse effect", the phase front rotation with the beam propagation distance [Akturk et al., Opt. Express 13, 8642 (2005)]. The interaction of spatiotemporally coupled laser pulses with transparent materials have interesting peculiarities, such as the effect of nonreciprocal writing, which can be used to facilitate microfabrication of photonic structures inside optical glasses. In this work, we make an attempt to numerically investigate the influence of the pulse front tilt and the lighthouse effect on the absorption of laser energy inside fused silica glass. The model, which is based on nonlinear Maxwell's equations supplemented by the hydrodynamic equations for free electron plasma, is applied. As three-dimensional solution of such a problem would require huge computational resources, a simplified two-dimensional model has been proposed. It has enabled to gain a qualitative insight into the features of propagation of ultrashort laser pulses with the tilted front in the regimes of volumetric laser modification of transparent materials, including directional asymmetry upon direct laser writing in glass materials.

Temperature dependence of long coherence times of oxide charge qubits.

PubMed

Dey, A; Yarlagadda, S

2018-02-22

The ability to maintain coherence and control in a qubit is a major requirement for quantum computation. We show theoretically that long coherence times can be achieved at easily accessible temperatures (such as boiling point of liquid helium) in small (i.e., ~10 nanometers) charge qubits of oxide double quantum dots when only optical phonons are the source of decoherence. In the regime of strong electron-phonon coupling and in the non-adiabatic region, we employ a duality transformation to make the problem tractable and analyze the dynamics through a non-Markovian quantum master equation. We find that the system decoheres after a long time, despite the fact that no energy is exchanged with the bath. Detuning the dots to a fraction of the optical phonon energy, increasing the electron-phonon coupling, reducing the adiabaticity, or decreasing the temperature enhances the coherence time.

New Parents’ Psychological Adjustment and Trajectories of Early Parental Involvement

PubMed Central

Jia, Rongfang; Kotila, Letitia E.; Schoppe-Sullivan, Sarah J.; Kamp Dush, Claire M.

2016-01-01

Trajectories of parental involvement time (engagement and child care) across 3, 6, and 9 months postpartum and associations with parents’ own and their partners’ psychological adjustment (dysphoria, anxiety, and empathic personal distress) were examined using a sample of dual-earner couples experiencing first-time parenthood (N = 182 couples). Using time diary measures that captured intensive parenting moments, hierarchical linear modeling analyses revealed that patterns of associations between psychological adjustment and parental involvement time depended on the parenting domain, aspect of psychological adjustment, and parent gender. Psychological adjustment difficulties tended to bias the 2-parent system toward a gendered pattern of “mother step in” and “father step out,” as father involvement tended to decrease, and mother involvement either remained unchanged or increased, in response to their own and their partners’ psychological adjustment difficulties. In contrast, few significant effects were found in models using parental involvement to predict psychological adjustment. PMID:27397935

Weakly and strongly coupled Belousov-Zhabotinsky patterns.

PubMed

Weiss, Stephan; Deegan, Robert D

2017-02-01

We investigate experimentally and numerically the synchronization of two-dimensional spiral wave patterns in the Belousov-Zhabotinsky reaction due to point-to-point coupling of two separate domains. Different synchronization modalities appear depending on the coupling strength and the initial patterns in each domain. The behavior as a function of the coupling strength falls into two qualitatively different regimes. The weakly coupled regime is characterized by inter-domain interactions that distorted but do not break wave fronts. Under weak coupling, spiral cores are pushed around by wave fronts in the other domain, resulting in an effective interaction between cores in opposite domains. In the case where each domain initially contains a single spiral, the cores form a bound pair and orbit each other at quantized distances. When the starting patterns consist of multiple randomly positioned spiral cores, the number of cores decreases with time until all that remains are a few cores that are synchronized with a partner in the other domain. The strongly coupled regime is characterized by interdomain interactions that break wave fronts. As a result, the wave patterns in both domains become identical.

Weakly and strongly coupled Belousov-Zhabotinsky patterns

NASA Astrophysics Data System (ADS)

Weiss, Stephan; Deegan, Robert D.

2017-02-01

We investigate experimentally and numerically the synchronization of two-dimensional spiral wave patterns in the Belousov-Zhabotinsky reaction due to point-to-point coupling of two separate domains. Different synchronization modalities appear depending on the coupling strength and the initial patterns in each domain. The behavior as a function of the coupling strength falls into two qualitatively different regimes. The weakly coupled regime is characterized by inter-domain interactions that distorted but do not break wave fronts. Under weak coupling, spiral cores are pushed around by wave fronts in the other domain, resulting in an effective interaction between cores in opposite domains. In the case where each domain initially contains a single spiral, the cores form a bound pair and orbit each other at quantized distances. When the starting patterns consist of multiple randomly positioned spiral cores, the number of cores decreases with time until all that remains are a few cores that are synchronized with a partner in the other domain. The strongly coupled regime is characterized by interdomain interactions that break wave fronts. As a result, the wave patterns in both domains become identical.

Nitric oxide/cGMP pathway signaling actively down-regulates α4β1-integrin affinity: an unexpected mechanism for inducing cell de-adhesion.

PubMed

Chigaev, Alexandre; Smagley, Yelena; Sklar, Larry A

2011-05-17

Integrin activation in response to inside-out signaling serves as the basis for rapid leukocyte arrest on endothelium, migration, and mobilization of immune cells. Integrin-dependent adhesion is controlled by the conformational state of the molecule, which is regulated by seven-transmembrane Guanine nucleotide binding Protein-Coupled Receptors (GPCRs). α4β1-integrin (CD49d/CD29, Very Late Antigen-4, VLA-4) is expressed on leukocytes, hematopoietic progenitors, stem cells, hematopoietic cancer cells, and others. VLA-4 conformation is rapidly up-regulated by inside-out signaling through Gαi-coupled GPCRs and down-regulated by Gαs-coupled GPCRs. However, other signaling pathways, which include nitric oxide-dependent signaling, have been implicated in the regulation of cell adhesion. The goal of the current report was to study the effect of nitric oxide/cGMP signaling pathway on VLA-4 conformational regulation. Using fluorescent ligand binding to evaluate the integrin activation state on live cells in real-time, we show that several small molecules, which specifically modulate nitric oxide/cGMP signaling pathway, as well as a cell permeable cGMP analog, can rapidly down-modulate binding of a VLA-4 specific ligand on cells pre-activated through three Gαi-coupled receptors: wild type CXCR4, CXCR2 (IL-8RB), and a non-desensitizing mutant of formyl peptide receptor (FPR ΔST). Upon signaling, we detected rapid changes in the ligand dissociation rate. The dissociation rate after inside-out integrin de-activation was similar to the rate for resting cells. In a VLA-4/VCAM-1-specific myeloid cell adhesion system, inhibition of the VLA-4 affinity change by nitric oxide had a statistically significant effect on real-time cell aggregation. We conclude that nitric oxide/cGMP signaling pathway can rapidly down-modulate the affinity state of the VLA-4 binding pocket, especially under the condition of sustained Gαi-coupled GPCR signaling, generated by a non-desensitizing receptor mutant. This suggests a fundamental role of this pathway in de-activation of integrin-dependent cell adhesion.

Temperature-Dependent Modeling and Crosstalk Analysis in Mixed Carbon Nanotube Bundle Interconnects

NASA Astrophysics Data System (ADS)

Rai, Mayank Kumar; Garg, Harsh; Kaushik, B. K.

2017-08-01

The temperature-dependent circuit modeling and performance analysis in terms of crosstalk in capacitively coupled mixed carbon nanotube bundle (MCB) interconnects, at the far end of the victim line, have been analyzed with four different structures of MCBs (MCB-1, MCB-2, MCB-3 and MCB-4) constituted under case 1 and case 2 at the 22-nm technology node. The impact of tunneling and intershell coupling between adjacent shells on temperature-dependent equivalent circuit parameters of a multi-walled carbon nanotube bundle are also critically analyzed and employed for different MCB structures under case 1. A similar analysis is performed for copper interconnects and comparisons are made between results obtained through these analyses over temperatures ranging from 300 K to 500 K. The simulation program with integrated circuit emphasis simulation results reveals that, compared with all MCB structures under case 1 and case 2, with rise in temperature from 300 K to 500 K, crosstalk-induced noise voltage levels at the far end of the victim line are found to be significantly large in copper. It is also observed that due to the dominance of larger temperature-dependent resistance and ground capacitance in case 1, the MCB-2 is of lower crosstalk-induced noise voltage levels than other structures of MCBs. On the other hand, the MCB-1 has smaller time duration of victim output. Results further reveal that, compared with case 2 of MCB, with rise in temperatures, the victim line gets less prone to crosstalk-induced noise in MCB interconnects constituted under case 1, due to tunneling effects and intershell coupling between adjacent shells. Based on these comparative results, a promising MCB structure (MCB-2) has been proposed among other structures under the consideration of tunneling effects and intershell coupling (case 1).

Parents’ time with a partner in a cross-national context: A comparison of the United States, Spain, and France

PubMed Central

Roman, Joan Garcia; Flood, Sarah M.; Genadek, Katie R.

2017-01-01

BACKGROUND Time shared with a partner is an indicator of marital well-being and couples want to spend time together. However, time with a partner depends on work and family arrangements as well as the policies, norms, and values that prevail in society. Contrary to time spent with children, couples’ shared time in cross-national context is relatively unstudied. Previous studies from specific countries show that dual-earner couples spend less time together and that parents spend less time alone together. OBJECTIVE The aim of our study is to investigate partnered parents’ shared time across countries to understand how social conditions, cultural norms, and policy contexts are related to the amount and nature of couples’ shared time. Specifically, we compare time with a partner in the US, France, and Spain. METHODS We use data from national time use surveys conducted in the US, France, and Spain. We leverage information about with whom activities are done to examine three types of time shared with a partner for parents with children under age 10: total time with a partner indicates the minutes per day spent in the presence of a partner; exclusive time corresponds to the minutes per day spent alone with a partner when no one else is present; and family time indicates the minutes per day spent with a partner and a child at the same time. RESULTS Our results show that American couples spend the least time together, and Spanish couples spend the most time together. Parents in France spend the most time alone together. The most striking difference across countries is in time with a partner and children, which is much higher among Spanish families. CONCLUSION Paid work constraints explain a small part of the differences in couples’ shared time that we observe between countries. Differences in couples’ shared time across countries seem to be related to social norms surrounding family and general time use. PMID:29416440

Current induced incoherent magnetization dynamics in ferromagnetic/non-magnetic metallic multilayer nanowires

NASA Astrophysics Data System (ADS)

Al-Rashid, Md Mamun; Maqableh, Mazin; Stadler, Bethanie; Atulasimha, Jayasimha

High density arrays of electrodeposited nanowires consisting of ferromagnetic/non-magnetic (Co/Cu) multilayers are promising as magnetic memory devices. For individual nanowires containing multiple (Co/Cu) bilayers, the stable magnetization orientations of the Co layers (with respect to each other and the nanowire axis) are dependent on the Cu layer thickness, even when the Co layer dimensions are fixed. This dependence is a result of the competition between shape anisotropy, magneto-crystalline anisotropy and intra-wire dipole coupling. However, when the nanowires are closely packed in arrays, inter-wire dipole coupling can result in complex and tunable domain structures comprising segments of multiple nanowires. This work explores the dependence of these domain structures and their switching on the non-magnetic layer thickness and intra-wire spacing both experimentally and via rigorous micromagnetic simulation. These domain structures play a crucial role in determining the current and time required for STT switching. NSF CAREER Grant CCF-1253370.

Anomalous diffusion and scaling in coupled stochastic processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bel, Golan; Nemenman, Ilya

2009-01-01

Inspired by problems in biochemical kinetics, we study statistical properties of an overdamped Langevin processes with the friction coefficient depending on the state of a similar, unobserved, process. Integrating out the latter, we derive the Pocker-Planck the friction coefficient of the first depends on the state of the second. Integrating out the latter, we derive the Focker-Planck equation for the probability distribution of the former. This has the fonn of diffusion equation with time-dependent diffusion coefficient, resulting in an anomalous diffusion. The diffusion exponent can not be predicted using a simple scaling argument, and anomalous scaling appears as well. Themore » diffusion exponent of the Weiss-Havlin comb model is derived as a special case, and the same exponent holds even for weakly coupled processes. We compare our theoretical predictions with numerical simulations and find an excellent agreement. The findings caution against treating biochemical systems with unobserved dynamical degrees of freedom by means of standandard, diffusive Langevin descritpion.« less

A near-infrared, optical, and ultraviolet polarimetric and timing investigation of complex equatorial dusty structures

NASA Astrophysics Data System (ADS)

Marin, F.; Rojas Lobos, P. A.; Hameury, J. M.; Goosmann, R. W.

2018-05-01

Context. From stars to active galactic nuclei, many astrophysical systems are surrounded by an equatorial distribution of dusty material that is, in a number of cases, spatially unresolved even with cutting edge facilities. Aims: In this paper, we investigate if and how one can determine the unresolved and heterogeneous morphology of dust distribution around a central bright source using time-resolved polarimetric observations. Methods: We used polarized radiative transfer simulations to study a sample of circumnuclear dusty morphologies. We explored a grid of geometrically variable models that are uniform, fragmented, and density stratified in the near-infrared, optical, and ultraviolet bands, and we present their distinctive time-dependent polarimetric signatures. Results: As expected, varying the structure of the obscuring equatorial disk has a deep impact on the inclination-dependent flux, polarization degree and angle, and time lags we observe. We find that stratified media are distinguishable by time-resolved polarimetric observations, and that the expected polarization is much higher in the infrared band than in the ultraviolet. However, because of the physical scales imposed by dust sublimation, the average time lags of months to years between the total and polarized fluxes are important; these time lags lengthens the observational campaigns necessary to break more sophisticated, and therefore also more degenerated, models. In the ultraviolet band, time lags are slightly shorter than in the infrared or optical bands, and, coupled to lower diluting starlight fluxes, time-resolved polarimetry in the UV appears more promising for future campaigns. Conclusions: Equatorial dusty disks differ in terms of inclination-dependent photometric, polarimetric, and timing observables, but only the coupling of these different markers can lead to inclination-independent constraints on the unresolved structures. Even though it is complex and time consuming, polarized reverberation mapping in the ultraviolet-blue band is probably the best technique to rely on in this field.

Histamine acting on H1 receptor promotes inhibition of proliferation via PLC, RAC, and JNK-dependent pathways

DOE Office of Scientific and Technical Information (OSTI.GOV)

Notcovich, Cintia; Laboratorio de Farmacologia de Receptores, Catedra de Quimica Medicinal, Departamento de Farmacologia, Facultad de Farmacia y Bioquimica, Universidad de Buenos Aires; Diez, Federico

2010-02-01

It is well established that histamine modulates cell proliferation through the activation of the histamine H1 receptor (H1R), a G protein-coupled receptor (GPCR) that is known to couple to phospholipase C (PLC) activation via Gq. In the present study, we aimed to determine whether H1R activation modulates Rho GTPases, well-known effectors of Gq/G{sub 11}-coupled receptors, and whether such modulation influences cell proliferation. Experiments were carried out in CHO cells stably expressing H1R (CHO-H1R). By using pull-down assays, we found that both histamine and a selective H1R agonist activated Rac and RhoA in a time- and dose-dependent manner without significant changesmore » in the activation of Cdc42. Histamine response was abolished by the H1R antagonist mepyramine, RGS2 and the PLC inhibitor U73122, suggesting that Rac and RhoA activation is mediated by H1R via Gq coupling to PLC stimulation. Histamine caused a marked activation of serum response factor activity via the H1R, as determined with a serum-responsive element (SRE) luciferase reporter, and this response was inhibited by RhoA inactivation with C3 toxin. Histamine also caused a significant activation of JNK which was inhibited by expression of the Rac-GAP {beta}2-chimaerin. On the other hand, H1R-induced ERK1/2 activation was inhibited by U73122 but not affected by C3 or {beta}2-chimaerin, suggesting that ERK1/2 activation was dependent on PLC and independent of RhoA or Rac. [{sup 3}H]-Thymidine incorporation assays showed that both histamine and the H1R agonist inhibited cell proliferation in a dose-dependent manner and that the effect was independent of RhoA but partially dependent on JNK and Rac. Our results reveal that functional coupling of the H1R to Gq-PLC leads to the activation of RhoA and Rac small GTPases and suggest distinct roles for Rho GTPases in the control of cell proliferation by histamine.« less

Goal-oriented sensitivity analysis for lattice kinetic Monte Carlo simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arampatzis, Georgios, E-mail: garab@math.uoc.gr; Department of Mathematics and Statistics, University of Massachusetts, Amherst, Massachusetts 01003; Katsoulakis, Markos A., E-mail: markos@math.umass.edu

2014-03-28

In this paper we propose a new class of coupling methods for the sensitivity analysis of high dimensional stochastic systems and in particular for lattice Kinetic Monte Carlo (KMC). Sensitivity analysis for stochastic systems is typically based on approximating continuous derivatives with respect to model parameters by the mean value of samples from a finite difference scheme. Instead of using independent samples the proposed algorithm reduces the variance of the estimator by developing a strongly correlated-“coupled”- stochastic process for both the perturbed and unperturbed stochastic processes, defined in a common state space. The novelty of our construction is that themore » new coupled process depends on the targeted observables, e.g., coverage, Hamiltonian, spatial correlations, surface roughness, etc., hence we refer to the proposed method as goal-oriented sensitivity analysis. In particular, the rates of the coupled Continuous Time Markov Chain are obtained as solutions to a goal-oriented optimization problem, depending on the observable of interest, by considering the minimization functional of the corresponding variance. We show that this functional can be used as a diagnostic tool for the design and evaluation of different classes of couplings. Furthermore, the resulting KMC sensitivity algorithm has an easy implementation that is based on the Bortz–Kalos–Lebowitz algorithm's philosophy, where events are divided in classes depending on level sets of the observable of interest. Finally, we demonstrate in several examples including adsorption, desorption, and diffusion Kinetic Monte Carlo that for the same confidence interval and observable, the proposed goal-oriented algorithm can be two orders of magnitude faster than existing coupling algorithms for spatial KMC such as the Common Random Number approach. We also provide a complete implementation of the proposed sensitivity analysis algorithms, including various spatial KMC examples, in a supplementary MATLAB source code.« less

Dynamical responses to external stimuli for both cases of excitatory and inhibitory synchronization in a complex neuronal network.

PubMed

Kim, Sang-Yoon; Lim, Woochang

2017-10-01

For studying how dynamical responses to external stimuli depend on the synaptic-coupling type, we consider two types of excitatory and inhibitory synchronization (i.e., synchronization via synaptic excitation and inhibition) in complex small-world networks of excitatory regular spiking (RS) pyramidal neurons and inhibitory fast spiking (FS) interneurons. For both cases of excitatory and inhibitory synchronization, effects of synaptic couplings on dynamical responses to external time-periodic stimuli S ( t ) (applied to a fraction of neurons) are investigated by varying the driving amplitude A of S ( t ). Stimulated neurons are phase-locked to external stimuli for both cases of excitatory and inhibitory couplings. On the other hand, the stimulation effect on non-stimulated neurons depends on the type of synaptic coupling. The external stimulus S ( t ) makes a constructive effect on excitatory non-stimulated RS neurons (i.e., it causes external phase lockings in the non-stimulated sub-population), while S ( t ) makes a destructive effect on inhibitory non-stimulated FS interneurons (i.e., it breaks up original inhibitory synchronization in the non-stimulated sub-population). As results of these different effects of S ( t ), the type and degree of dynamical response (e.g., synchronization enhancement or suppression), characterized by the dynamical response factor [Formula: see text] (given by the ratio of synchronization degree in the presence and absence of stimulus), are found to vary in a distinctly different way, depending on the synaptic-coupling type. Furthermore, we also measure the matching degree between the dynamics of the two sub-populations of stimulated and non-stimulated neurons in terms of a "cross-correlation" measure [Formula: see text]. With increasing A , based on [Formula: see text], we discuss the cross-correlations between the two sub-populations, affecting the dynamical responses to S ( t ).

TEMPEST: A three-dimensional time-dependent computer program for hydrothermal analysis: Volume 1, Numerical methods and input instructions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trent, D.S.; Eyler, L.L.; Budden, M.J.

This document describes the numerical methods, current capabilities, and the use of the TEMPEST (Version L, MOD 2) computer program. TEMPEST is a transient, three-dimensional, hydrothermal computer program that is designed to analyze a broad range of coupled fluid dynamic and heat transfer systems of particular interest to the Fast Breeder Reactor thermal-hydraulic design community. The full three-dimensional, time-dependent equations of motion, continuity, and heat transport are solved for either laminar or turbulent fluid flow, including heat diffusion and generation in both solid and liquid materials. 10 refs., 22 figs., 2 tabs.

Engineering elliptical spin-excitations by complex anisotropy fields in Fe adatoms and dimers on Cu(111)

NASA Astrophysics Data System (ADS)

Guimarães, Filipe S. M.; dos Santos Dias, Manuel; Schweflinghaus, Benedikt; Lounis, Samir

2017-10-01

We investigate the dynamics of Fe adatoms and dimers deposited on the Cu(111) metallic surface in the presence of spin-orbit coupling, within time-dependent density functional theory. The ab initio results provide material-dependent parameters that can be used in semiclassical approaches, which are used for insightful interpretations of the excitation modes. By manipulating the surroundings of the magnetic elements, we show that elliptical precessional motion may be induced through the modification of the magnetic anisotropy energy. We also demonstrate how different kinds of spin precession are realized, considering the symmetry of the magnetic anisotropy energy, the ferro- or antiferromagnetic nature of the exchange coupling between the impurities, and the strength of the magnetic damping. In particular, the normal modes of a dimer depend on the initial magnetic configuration, changing drastically by going from a ferromagnetic metastable state to the antiferromagnetic ground state. By taking into account the effect of the damping into their resonant frequencies, we reveal that an important contribution arises for strongly biaxial systems and specially for the antiferromagnetic dimers with large exchange couplings. Counterintuitively, our results indicate that the magnetic damping influences the quantum fluctuations by decreasing the zero-point energy of the system.

On-chip optical phase locking of single growth monolithically integrated Slotted Fabry Perot lasers.

PubMed

Morrissey, P E; Cotter, W; Goulding, D; Kelleher, B; Osborne, S; Yang, H; O'Callaghan, J; Roycroft, B; Corbett, B; Peters, F H

2013-07-15

This work investigates the optical phase locking performance of Slotted Fabry Perot (SFP) lasers and develops an integrated variable phase locked system on chip for the first time to our knowledge using these lasers. Stable phase locking is demonstrated between two SFP lasers coupled on chip via a variable gain waveguide section. The two lasers are biased differently, one just above the threshold current of the device with the other at three times this value. The coupling between the lasers can be controlled using the variable gain section which can act as a variable optical attenuator or amplifier depending on bias. Using this, the width of the stable phase locking region on chip is shown to be variable.

Generalized viscothermoelasticity theory of dual-phase-lagging model for damping analysis in circular micro-plate resonators

NASA Astrophysics Data System (ADS)

Grover, D.; Seth, R. K.

2018-05-01

Analysis and numerical results are presented for the thermoelastic dissipation of a homogeneous isotropic, thermally conducting, Kelvin-Voigt type circular micro-plate based on Kirchhoff's Love plate theory utilizing generalized viscothermoelasticity theory of dual-phase-lagging model. The analytical expressions for thermoelastic damping of vibration and frequency shift are obtained for generalized dual-phase-lagging model and coupled viscothermoelastic plates. The scaled thermoelastic damping has been illustrated in case of circular plate and axisymmetric circular plate for fixed aspect ratio for clamped and simply supported boundary conditions. It is observed that the damping of vibrations significantly depend on time delay and mechanical relaxation times in addition to thermo-mechanical coupling in circular plate under resonance conditions and plate dimensions.

Low temperature anomaly of light stimulated magnetization and heat capacity of the 1D diluted magnetic semiconductors

NASA Astrophysics Data System (ADS)

Geffe, Chernet Amente

2018-03-01

This article reports magnetization and specific heat capacity anomalies in one dimensional diluted magnetic semiconductors observed at very low temperatures. Based on quantum field theory double time temperature dependent Green function technique is employed to evaluate magnon dispersion and the time correlation function. It is understood that magnon-photon coupling and magnetic impurity concentration controls both, such that near absolute temperature magnetization is nearly zero and abruptly increase to saturation level with decreasing magnon-photon coupling strength. We also found out dropping of magnetic specific heat capacity as a result of increase in magnetic impurity concentration x, perhaps because of inter-band disorder that would suppress the enhancement of density of spin waves.

Brain-heart linear and nonlinear dynamics during visual emotional elicitation in healthy subjects.

PubMed

Valenza, G; Greco, A; Gentili, C; Lanata, A; Toschi, N; Barbieri, R; Sebastiani, L; Menicucci, D; Gemignani, A; Scilingo, E P

2016-08-01

This study investigates brain-heart dynamics during visual emotional elicitation in healthy subjects through linear and nonlinear coupling measures of EEG spectrogram and instantaneous heart rate estimates. To this extent, affective pictures including different combinations of arousal and valence levels, gathered from the International Affective Picture System, were administered to twenty-two healthy subjects. Time-varying maps of cortical activation were obtained through EEG spectral analysis, whereas the associated instantaneous heartbeat dynamics was estimated using inhomogeneous point-process linear models. Brain-Heart linear and nonlinear coupling was estimated through the Maximal Information Coefficient (MIC), considering EEG time-varying spectra and point-process estimates defined in the time and frequency domains. As a proof of concept, we here show preliminary results considering EEG oscillations in the θ band (4-8 Hz). This band, indeed, is known in the literature to be involved in emotional processes. MIC highlighted significant arousal-dependent changes, mediated by the prefrontal cortex interplay especially occurring at intermediate arousing levels. Furthermore, lower and higher arousing elicitations were associated to not significant brain-heart coupling changes in response to pleasant/unpleasant elicitations.

Exciton interference revealed by energy dependent exciton transfer rate for ring-structured molecular systems.

PubMed

Yan, Yun-An

2016-01-14

The quantum interference is an intrinsic phenomenon in quantum physics for photon and massive quantum particles. In principle, the quantum interference may also occur with quasi-particles, such as the exciton. In this study, we show how the exciton quantum interference can be significant in aggregates through theoretical simulations with hierarchical equations of motion. The systems under investigation are generalized donor-bridge-acceptor model aggregates with the donor consisting of six homogeneous sites assuming the nearest neighbor coupling. For the models with single-path bridge, the exciton transfer time only shows a weak excitation energy dependence. But models with double-path bridge have a new short transfer time scale and the excitation energy dependence of the exciton transfer time assumes clear peak structure which is detectable with today's nonlinear spectroscopy. This abnormality is attributed to the exciton quantum interference and the condition for a clear observation in experiment is also explored.

Bias-induced modulation of ultrafast carrier dynamics in metallic single-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Maekawa, Keisuke; Yanagi, Kazuhiro; Minami, Yasuo; Kitajima, Masahiro; Katayama, Ikufumi; Takeda, Jun

2018-02-01

The gate bias dependence of excited-state relaxation dynamics in metallic single-walled carbon nanotubes (MCNTs) was investigated using pump-probe transient absorption spectroscopy coupled with electrochemical doping through an ionic liquid. The transient transmittance decayed exponentially with the pump-probe delay time, whose value could be tuned via the Fermi-level modulation of Dirac electrons under a bias voltage. The obtained relaxation time was the shortest when the Fermi level was at the Dirac point of the MCNTs, and exhibited a U-shaped dependence on the bias voltage. Because optical dipole transitions between the Dirac bands are forbidden in MCNTs, the observed dynamics were attributed to carrier relaxation from the E11 band to the Dirac band. Using a model that considers the suppression of electron-electron scattering (impact ionization) due to Pauli blocking, we could qualitatively explain the obtained bias dependence of the relaxation time.

Effects of coupling between sample and electrode on the electrical resistivity measurements of conductive samples

NASA Astrophysics Data System (ADS)

Lee, T. J.; Lee, S. K.

2015-12-01

A resistivity measurement system for conductive core samples has been setup using a high resolution nano-voltmeter. Using the system, in this study, various coupling effects between electrodes and the samples are discussed including contact resistance, lead resistance, temperature dependence, and heat produced within the samples by applied current. The lead resistance was over 10 times higher than the resistance of the conductive samples such as graphite or nichrome, even though the electrodes and lead lines were made of silver. Furthermore, lead resistance itself showed very strong temperature dependence, so that it is essential to subtract the lead resistance from the measured values at corresponding temperature. Minimization of contact resistance is very important, so that the axial loads are needed as big as possible unless the deformation of sample occurs.

Solar wind-magnetosphere coupling during intense magnetic storms (1978-1979)

NASA Technical Reports Server (NTRS)

Gonzalez, Walter D.; Gonzalez, Alicia L. C.; Tsurutani, Bruce T.; Smith, Edward J.; Tang, Frances

1989-01-01

The solar wind-magnetosphere coupling problem during intense magnetic storms was investigated for ten intense magnetic storm events occurring between August 16, 1978 to December 28, 1979. Particular attention was given to the dependence of the ring current energization on the ISEE-measured solar-wind parameters and the evolution of the ring current during the main phase of the intense storms. Several coupling functions were tested as energy input, and several sets of the ring current decay time-constant were searched for the best correlation with the Dst response. Results indicate that a large-scale magnetopause reconnection operates during an intense storm event and that the solar wind ram pressure plays an important role in the energization of the ring current.

Energy Exchange in Driven Open Quantum Systems at Strong Coupling

NASA Astrophysics Data System (ADS)

Carrega, Matteo; Solinas, Paolo; Sassetti, Maura; Weiss, Ulrich

2016-06-01

The time-dependent energy transfer in a driven quantum system strongly coupled to a heat bath is studied within an influence functional approach. Exact formal expressions for the statistics of energy dissipation into the different channels are derived. The general method is applied to the driven dissipative two-state system. It is shown that the energy flows obey a balance relation, and that, for strong coupling, the interaction may constitute the major dissipative channel. Results in analytic form are presented for the particular value K =1/2 of strong Ohmic dissipation. The energy flows show interesting behaviors including driving-induced coherences and quantum stochastic resonances. It is found that the general characteristics persists for K near 1/2 .

A nonlinear Fokker-Planck equation approach for interacting systems: Anomalous diffusion and Tsallis statistics

NASA Astrophysics Data System (ADS)

Marin, D.; Ribeiro, M. A.; Ribeiro, H. V.; Lenzi, E. K.

2018-07-01

We investigate the solutions for a set of coupled nonlinear Fokker-Planck equations coupled by the diffusion coefficient in presence of external forces. The coupling by the diffusion coefficient implies that the diffusion of each species is influenced by the other and vice versa due to this term, which represents an interaction among them. The solutions for the stationary case are given in terms of the Tsallis distributions, when arbitrary external forces are considered. We also use the Tsallis distributions to obtain a time dependent solution for a linear external force. The results obtained from this analysis show a rich class of behavior related to anomalous diffusion, which can be characterized by compact or long-tailed distributions.

The coupling analysis between stock market indices based on permutation measures

NASA Astrophysics Data System (ADS)

Shi, Wenbin; Shang, Pengjian; Xia, Jianan; Yeh, Chien-Hung

2016-04-01

Many information-theoretic methods have been proposed for analyzing the coupling dependence between time series. And it is significant to quantify the correlation relationship between financial sequences since the financial market is a complex evolved dynamic system. Recently, we developed a new permutation-based entropy, called cross-permutation entropy (CPE), to detect the coupling structures between two synchronous time series. In this paper, we extend the CPE method to weighted cross-permutation entropy (WCPE), to address some of CPE's limitations, mainly its inability to differentiate between distinct patterns of a certain motif and the sensitivity of patterns close to the noise floor. It shows more stable and reliable results than CPE does when applied it to spiky data and AR(1) processes. Besides, we adapt the CPE method to infer the complexity of short-length time series by freely changing the time delay, and test it with Gaussian random series and random walks. The modified method shows the advantages in reducing deviations of entropy estimation compared with the conventional one. Finally, the weighted cross-permutation entropy of eight important stock indices from the world financial markets is investigated, and some useful and interesting empirical results are obtained.

Non-Markovian continuous-time quantum walks on lattices with dynamical noise

NASA Astrophysics Data System (ADS)

Benedetti, Claudia; Buscemi, Fabrizio; Bordone, Paolo; Paris, Matteo G. A.

2016-04-01

We address the dynamics of continuous-time quantum walks on one-dimensional disordered lattices inducing dynamical noise in the system. Noise is described as time-dependent fluctuations of the tunneling amplitudes between adjacent sites, and attention is focused on non-Gaussian telegraph noise, going beyond the usual assumption of fast Gaussian noise. We observe the emergence of two different dynamical behaviors for the walker, corresponding to two opposite noise regimes: slow noise (i.e., strong coupling with the environment) confines the walker into few lattice nodes, while fast noise (weak coupling) induces a transition between quantum and classical diffusion over the lattice. A phase transition between the two dynamical regimes may be observed by tuning the ratio between the autocorrelation time of the noise and the coupling between the walker and the external environment generating the noise. We also address the non-Markovianity of the quantum map by assessing its memory effects, as well as evaluating the information backflow to the system. Our results suggest that the non-Markovian character of the evolution is linked to the dynamical behavior in the slow noise regime, and that fast noise induces a Markovian dynamics for the walker.

Study on the temperature-dependent coupling among viscosity, conductivity and structural relaxation of ionic liquids.

PubMed

Yamaguchi, Tsuyoshi; Yonezawa, Takuya; Koda, Shinobu

2015-07-15

The frequency-dependent viscosity and conductivity of three imidazolium-based ionic liquids were measured at several temperatures in the MHz region, and the results are compared with the intermediate scattering functions determined by neutron spin echo spectroscopy. The relaxations of both the conductivity and the viscosity agree with that of the intermediate scattering function at the ionic correlation when the relaxation time is short. As the relaxation time increases, the relaxations of the two transport properties deviate to lower frequencies than that of the ionic structure. The deviation begins at a shorter relaxation time for viscosity than for conductivity, which explains the fractional Walden rule between the zero-frequency values of the shear viscosity and the molar conductivity.

Antiferromagnetic Interlayer Exchange Coupling in All-Semiconducting EuS/PbS/EuS Trilayers

NASA Technical Reports Server (NTRS)

Smits, C. J. P.; Filip, A. T.; Swagten, H. J. M.; Koopmans, B.; deJonge, W. J. M.; Chernyshova, M.; Kowalczyk, L.; Grasza, K.; Szczerbakow, A.; Story, T.

2003-01-01

A comprehensive experimental study on the antiferromagnetic interlayer exchange coupling in high quality epitaxial all-semiconducting EuSPbSEuS trilayers is reported. The influence of substrates, the thickness of the non-magnetic PbS spacer layer, and of temperature, was investigated by means of SQUID magnetometry. In trilayers with a PbS thickness between 4 and 12 deg A the low temperature hysteresis loops showed the signature of antiferromagnetic coupling. The value of the interlayer exchange coupling energy was determined by simulating the data with a modified Stoner model, including Zeeman, anisotropy, and exchange coupling energies. An important observation was of a strong dependence of the interlayer exchange coupling energy on temperature, consistent with a power law dependence of the exchange coupling constant on the saturation magnetization of the EuS layers. While no theoretical description is readily available, we conjecture that the observed behavior is due to a dependence of the interlayer exchange coupling energy on the exchange splitting of the EuS conduction band.

Relocation of Wyoming mine production blasts using calibration explosions

USGS Publications Warehouse

Finn, Carol A.; Kraft, Gordon D.; Sibol, Matthew S.; Jones, Ronald L.; Pulaski, Mark E.

2001-01-01

Given a set of well-recorded calibration events, it appears that the JHD methodology is a viable technique for improving locational accuracy of future small events where the location depends on arrival times from predominantly local and/or regional stations. In this specific case, the International Association of Seismology and the Physics of the Earth’s Interior (IASPEI) travel-time tables, coupled with JHDderived travel-time corrections, may obviate the need for an accurately known regional velocity structure in the Powder River Basin region.

Non-Adiabatic Atomic Transitions: Computational Cross Section Calculations of Alkali Metal-Noble Gas Collisions

DTIC Science & Technology

2011-09-01

there a one time transfer of prob- ability between Coriolis coupled states. One possible way to answer this question would be to literally create and... time -dependent numerical algorithm was developed using FORTRAN 90 to predict S-Matrix elements for alkali metal - noble gas (MNg) collisions. The...committee and the physics department for their time and effort to see me through the completion of my doctorate degree. Charlton D. Lewis, II v Table of

Coupled Simulation of Thermomagnetic Energy Generation Based on NiMnGa Heusler Alloy Films

NASA Astrophysics Data System (ADS)

Kohl, Manfred; Gueltig, Marcel; Wendler, Frank

2018-03-01

This paper presents a simulation model for the coupled dynamic properties of thermomagnetic generators based on magnetic shape memory alloy (MSMA) films. MSMA thermomagnetic generators exploit the large abrupt temperature-induced change of magnetization at the first- or second-order magnetic transition as well as the short heat transfer times due to the large surface-to-volume ratio of films. These properties allow for resonant self-actuation of freely movable MSMA cantilever devices showing thermomagnetic duty cycles in the order of 10 ms duration, which matches with the period of oscillatory motion. We present a numerical analysis of the energy conversion processes to understand the effect of design parameters on efficiency and power output. A lumped element model is chosen to describe the time dependence of MSMA cantilever deflection and of temperature profiles as well as the magnitude and phase dependency of magnetization change. The simulation model quantitatively describes experimentally observed oscillatory motion and resulting power output in the order of 100 mW cm-3. Furthermore, it predicts a power output of 490 mW cm-3 for advanced film materials with temperature-dependent change of magnetization Δ M/Δ T of 4 A m2 (kg K)-1, which challenges state-of-the-art thermoelectric devices.

Coupled Simulation of Thermomagnetic Energy Generation Based on NiMnGa Heusler Alloy Films

NASA Astrophysics Data System (ADS)

Kohl, Manfred; Gueltig, Marcel; Wendler, Frank

2018-01-01

This paper presents a simulation model for the coupled dynamic properties of thermomagnetic generators based on magnetic shape memory alloy (MSMA) films. MSMA thermomagnetic generators exploit the large abrupt temperature-induced change of magnetization at the first- or second-order magnetic transition as well as the short heat transfer times due to the large surface-to-volume ratio of films. These properties allow for resonant self-actuation of freely movable MSMA cantilever devices showing thermomagnetic duty cycles in the order of 10 ms duration, which matches with the period of oscillatory motion. We present a numerical analysis of the energy conversion processes to understand the effect of design parameters on efficiency and power output. A lumped element model is chosen to describe the time dependence of MSMA cantilever deflection and of temperature profiles as well as the magnitude and phase dependency of magnetization change. The simulation model quantitatively describes experimentally observed oscillatory motion and resulting power output in the order of 100 mW cm-3. Furthermore, it predicts a power output of 490 mW cm-3 for advanced film materials with temperature-dependent change of magnetization ΔM/ΔT of 4 A m2 (kg K)-1, which challenges state-of-the-art thermoelectric devices.

Temperature dependence of the NMR spin-lattice relaxation rate for spin-1/2 chains

NASA Astrophysics Data System (ADS)

Coira, E.; Barmettler, P.; Giamarchi, T.; Kollath, C.

2016-10-01

We use recent developments in the framework of a time-dependent matrix product state method to compute the nuclear magnetic resonance relaxation rate 1 /T1 for spin-1/2 chains under magnetic field and for different Hamiltonians (XXX, XXZ, isotropically dimerized). We compute numerically the temperature dependence of the 1 /T1 . We consider both gapped and gapless phases, and also the proximity of quantum critical points. At temperatures much lower than the typical exchange energy scale, our results are in excellent agreement with analytical results, such as the ones derived from the Tomonaga-Luttinger liquid (TLL) theory and bosonization, which are valid in this regime. We also cover the regime for which the temperature T is comparable to the exchange coupling. In this case analytical theories are not appropriate, but this regime is relevant for various new compounds with exchange couplings in the range of tens of Kelvin. For the gapped phases, either the fully polarized phase for spin chains or the low-magnetic-field phase for the dimerized systems, we find an exponential decrease in Δ /(kBT ) of the relaxation time and can compute the gap Δ . Close to the quantum critical point our results are in good agreement with the scaling behavior based on the existence of free excitations.

Modularity and the spread of perturbations in complex dynamical systems

NASA Astrophysics Data System (ADS)

Kolchinsky, Artemy; Gates, Alexander J.; Rocha, Luis M.

2015-12-01

We propose a method to decompose dynamical systems based on the idea that modules constrain the spread of perturbations. We find partitions of system variables that maximize "perturbation modularity," defined as the autocovariance of coarse-grained perturbed trajectories. The measure effectively separates the fast intramodular from the slow intermodular dynamics of perturbation spreading (in this respect, it is a generalization of the "Markov stability" method of network community detection). Our approach captures variation of modular organization across different system states, time scales, and in response to different kinds of perturbations: aspects of modularity which are all relevant to real-world dynamical systems. It offers a principled alternative to detecting communities in networks of statistical dependencies between system variables (e.g., "relevance networks" or "functional networks"). Using coupled logistic maps, we demonstrate that the method uncovers hierarchical modular organization planted in a system's coupling matrix. Additionally, in homogeneously coupled map lattices, it identifies the presence of self-organized modularity that depends on the initial state, dynamical parameters, and type of perturbations. Our approach offers a powerful tool for exploring the modular organization of complex dynamical systems.

Coherent photoluminescence excitation spectroscopy of semicrystalline polymeric semiconductors

NASA Astrophysics Data System (ADS)

Silva, Carlos; Grégoire, Pascal; Thouin, Félix

In polymeric semiconductors, the competition between through-bond (intrachain) and through-space (interchain) electronic coupling determines two-dimensional spatial coherence of excitons. The balance of intra- and interchain excitonic coupling depends very sensitively on solid-state microstructure of the polymer film (polycrystalline, semicrystalline with amorphous domains, etc.). Regioregular poly(3-hexylthiophene) has emerged as a model material because its photoluminescence (PL) spectral lineshape reveals intricate information on the magnitude of excitonic coupling, the extent of energetic disorder, and on the extent to which the disordered energy landscape is correlated. I discuss implementation of coherent two-dimensional electronic spectroscopy. We identify cross peaks between 0-0 and 0-1 excitation peaks, and we measure their time evolution, which we interpret within the context of a hybrid HJ aggregate model. By measurement of the homogeneous linewidth in diverse polymer microstructures, we address the nature of optical transitions within such hynbrid aggregate model. These depend strongly on sample processing, and I discuss the relationship between microstructure, steady-state absorption and PL spectral lineshape, and 2D coherent PL excitation spectral lineshapes.

Direct quantitative detection of Doc2b-induced hemifusion in optically trapped membranes

NASA Astrophysics Data System (ADS)

Brouwer, Ineke; Giniatullina, Asiya; Laurens, Niels; van Weering, Jan R. T.; Bald, Dirk; Wuite, Gijs J. L.; Groffen, Alexander J.

2015-09-01

Ca2+-sensor proteins control the secretion of many neuroendocrine substances. Calcium-secretion coupling may involve several mechanisms. First, Ca2+-dependent association of their tandem C2 domains with phosphatidylserine may induce membrane curvature and thereby enhance fusion. Second, their association with SNARE complexes may inhibit membrane fusion in the absence of a Ca2+ trigger. Here we present a method using two optically trapped beads coated with SNARE-free synthetic membranes to elucidate the direct role of the C2AB domain of the soluble Ca2+-sensor Doc2b. Contacting membranes are often coupled by a Doc2b-coated membrane stalk that resists forces up to 600 pN upon bead separation. Stalk formation depends strictly on Ca2+ and phosphatidylserine. Real-time fluorescence imaging shows phospholipid but not content mixing, indicating membrane hemifusion. Thus, Doc2b acts directly on membranes and stabilizes the hemifusion intermediate in this cell-free system. In living cells, this mechanism may co-occur with progressive SNARE complex assembly, together defining Ca2+-secretion coupling.

Modularity and the spread of perturbations in complex dynamical systems.

PubMed

Kolchinsky, Artemy; Gates, Alexander J; Rocha, Luis M

2015-12-01

We propose a method to decompose dynamical systems based on the idea that modules constrain the spread of perturbations. We find partitions of system variables that maximize "perturbation modularity," defined as the autocovariance of coarse-grained perturbed trajectories. The measure effectively separates the fast intramodular from the slow intermodular dynamics of perturbation spreading (in this respect, it is a generalization of the "Markov stability" method of network community detection). Our approach captures variation of modular organization across different system states, time scales, and in response to different kinds of perturbations: aspects of modularity which are all relevant to real-world dynamical systems. It offers a principled alternative to detecting communities in networks of statistical dependencies between system variables (e.g., "relevance networks" or "functional networks"). Using coupled logistic maps, we demonstrate that the method uncovers hierarchical modular organization planted in a system's coupling matrix. Additionally, in homogeneously coupled map lattices, it identifies the presence of self-organized modularity that depends on the initial state, dynamical parameters, and type of perturbations. Our approach offers a powerful tool for exploring the modular organization of complex dynamical systems.

Improving Planck calibration by including frequency-dependent relativistic corrections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quartin, Miguel; Notari, Alessio, E-mail: mquartin@if.ufrj.br, E-mail: notari@ffn.ub.es

2015-09-01

The Planck satellite detectors are calibrated in the 2015 release using the 'orbital dipole', which is the time-dependent dipole generated by the Doppler effect due to the motion of the satellite around the Sun. Such an effect has also relativistic time-dependent corrections of relative magnitude 10{sup −3}, due to coupling with the 'solar dipole' (the motion of the Sun compared to the CMB rest frame), which are included in the data calibration by the Planck collaboration. We point out that such corrections are subject to a frequency-dependent multiplicative factor. This factor differs from unity especially at the highest frequencies, relevantmore » for the HFI instrument. Since currently Planck calibration errors are dominated by systematics, to the point that polarization data is currently unreliable at large scales, such a correction can in principle be highly relevant for future data releases.« less

Scheme variations of the QCD coupling

NASA Astrophysics Data System (ADS)

Boito, Diogo; Jamin, Matthias; Miravitllas, Ramon

2017-03-01

The Quantum Chromodynamics (QCD) coupling αs is a central parameter in the Standard Model of particle physics. However, it depends on theoretical conventions related to renormalisation and hence is not an observable quantity. In order to capture this dependence in a transparent way, a novel definition of the QCD coupling, denoted by â, is introduced, whose running is explicitly renormalisation scheme invariant. The remaining renormalisation scheme dependence is related to transformations of the QCD scale Λ, and can be parametrised by a single parameter C. Hence, we call â the C-scheme coupling. The dependence on C can be exploited to study and improve perturbative predictions of physical observables. This is demonstrated for the QCD Adler function and hadronic decays of the τ lepton.

Random attractor of non-autonomous stochastic Boussinesq lattice system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Min, E-mail: zhaomin1223@126.com; Zhou, Shengfan, E-mail: zhoushengfan@yahoo.com

2015-09-15

In this paper, we first consider the existence of tempered random attractor for second-order non-autonomous stochastic lattice dynamical system of nonlinear Boussinesq equations effected by time-dependent coupled coefficients and deterministic forces and multiplicative white noise. Then, we establish the upper semicontinuity of random attractors as the intensity of noise approaches zero.

An Unsplit Monte-Carlo solver for the resolution of the linear Boltzmann equation coupled to (stiff) Bateman equations

NASA Astrophysics Data System (ADS)

Bernede, Adrien; Poëtte, Gaël

2018-02-01

In this paper, we are interested in the resolution of the time-dependent problem of particle transport in a medium whose composition evolves with time due to interactions. As a constraint, we want to use of Monte-Carlo (MC) scheme for the transport phase. A common resolution strategy consists in a splitting between the MC/transport phase and the time discretization scheme/medium evolution phase. After going over and illustrating the main drawbacks of split solvers in a simplified configuration (monokinetic, scalar Bateman problem), we build a new Unsplit MC (UMC) solver improving the accuracy of the solutions, avoiding numerical instabilities, and less sensitive to time discretization. The new solver is essentially based on a Monte Carlo scheme with time dependent cross sections implying the on-the-fly resolution of a reduced model for each MC particle describing the time evolution of the matter along their flight path.

Time scales for molecule formation by ion-molecule reactions

NASA Technical Reports Server (NTRS)

Langer, W. D.; Glassgold, A. E.

1976-01-01

Analytical solutions are obtained for nonlinear differential equations governing the time-dependence of molecular abundances in interstellar clouds. Three gas-phase reaction schemes are considered separately for the regions where each dominates. The particular case of CO, and closely related members of the Oh and CH families of molecules, is studied for given values of temperature, density, and the radiation field. Nonlinear effects and couplings with particular ions are found to be important. The time scales for CO formation range from 100,000 to a few million years, depending on the chemistry and regime. The time required for essentially complete conversion of C(+) to CO in the region where the H3(+) chemistry dominates is several million years. Because this time is longer than or comparable to dynamical time scales for dense interstellar clouds, steady-state abundances may not be observed in such clouds.

Analytical second derivatives of excited-state energy within the time-dependent density functional theory coupled with a conductor-like polarizable continuum model.

PubMed

Liu, Jie; Liang, WanZhen

2013-01-14

This work extends our previous works [J. Liu and W. Z. Liang, J. Chem. Phys. 135, 014113 (2011); J. Liu and W. Z. Liang, J. Chem. Phys. 135, 184111 (2011)] on analytical excited-state Hessian within the framework of time-dependent density functional theory (TDDFT) to couple with a conductor-like polarizable continuum model (CPCM). The formalism, implementation, and application of analytical first and second energy derivatives of TDDFT/CPCM excited state with respect to the nuclear and electric perturbations are presented. Their performances are demonstrated by the calculations of excitation energies, excited-state geometries, and harmonic vibrational frequencies for a number of benchmark systems. The calculated results are in good agreement with the corresponding experimental data or other theoretical calculations, indicating the reliability of the current computer implementation of the developed algorithms. Then we made some preliminary applications to calculate the resonant Raman spectrum of 4-hydroxybenzylidene-2,3-dimethyl-imidazolinone in ethanol solution and the infrared spectra of ground and excited states of 9-fluorenone in methanol solution.

Significant enhancement of yellow-green light emission of ZnO nanorod arrays using Ag island films

NASA Astrophysics Data System (ADS)

Lin, Chin-An; Tsai, Dung-Sheng; Chen, Cheng-Ying; He-Hau, Jr.

2011-03-01

Surface plasmon (SP) mediated emission from ZnO nanorod arrays (NRAs)/Ag/Si structures has been investigated. The ratio of visible emission to UV emission can be increased by over 30 times via coupling with SP without deterioration of the crystal quality. The fact that the effect of SP crucially depends on the size of Ag island films provides the feasibility to significantly enhance the yellow-green emission of the ZnO nanostructures without sacrificing the crystallinity of ZnO.Surface plasmon (SP) mediated emission from ZnO nanorod arrays (NRAs)/Ag/Si structures has been investigated. The ratio of visible emission to UV emission can be increased by over 30 times via coupling with SP without deterioration of the crystal quality. The fact that the effect of SP crucially depends on the size of Ag island films provides the feasibility to significantly enhance the yellow-green emission of the ZnO nanostructures without sacrificing the crystallinity of ZnO. Electronic supplementary information (ESI) available. See DOI: 10.1039/c0nr00732c

A One Dimensional, Time Dependent Inlet/Engine Numerical Simulation for Aircraft Propulsion Systems

NASA Technical Reports Server (NTRS)

Garrard, Doug; Davis, Milt, Jr.; Cole, Gary

1999-01-01

The NASA Lewis Research Center (LeRC) and the Arnold Engineering Development Center (AEDC) have developed a closely coupled computer simulation system that provides a one dimensional, high frequency inlet/engine numerical simulation for aircraft propulsion systems. The simulation system, operating under the LeRC-developed Application Portable Parallel Library (APPL), closely coupled a supersonic inlet with a gas turbine engine. The supersonic inlet was modeled using the Large Perturbation Inlet (LAPIN) computer code, and the gas turbine engine was modeled using the Aerodynamic Turbine Engine Code (ATEC). Both LAPIN and ATEC provide a one dimensional, compressible, time dependent flow solution by solving the one dimensional Euler equations for the conservation of mass, momentum, and energy. Source terms are used to model features such as bleed flows, turbomachinery component characteristics, and inlet subsonic spillage while unstarted. High frequency events, such as compressor surge and inlet unstart, can be simulated with a high degree of fidelity. The simulation system was exercised using a supersonic inlet with sixty percent of the supersonic area contraction occurring internally, and a GE J85-13 turbojet engine.

Hierarchical Equation of Motion Investigation of Decoherence and Relaxation Dynamics in Nonequilibrium Transport through Interacting Quantum Dots

NASA Astrophysics Data System (ADS)

Hartle, Rainer; Cohen, Guy; Reichman, David R.; Millis, Andrew J.

2014-03-01

A recently developed hierarchical quantum master equation approach is used to investigate nonequilibrium electron transport through an interacting double quantum dot system in the regime where the inter-dot coupling is weaker than the coupling to the electrodes. The corresponding eigenstates provide tunneling paths that may interfere constructively or destructively, depending on the energy of the tunneling electrons. Electron-electron interactions are shown to quench these interference effects in bias-voltage dependent ways, leading, in particular, to negative differential resistance, population inversion and an enhanced broadening of resonances in the respective transport characteristics. Relaxation times are found to be very long, and to be correlated with very slow dynamics of the inter-dot coherences (off diagonal density matrix elements). The ability of the hierarchical quantum master equation approach to access very long time scales is crucial for the study of this physics. This work is supported by the National Science Foundation (NSF DMR-1006282 and NSF CHE-1213247), the Yad Hanadiv-Rothschild Foundation (via a Rothschild Fellowship for GC) and the Alexander von Humboldt Foundation (via a Feodor Lynen fellowship for RH).

Time-resolved spectroscopy at surfaces and adsorbate dynamics:insights from a model-system approach

NASA Astrophysics Data System (ADS)

Boström, Emil; Mikkelsen, Anders; Verdozzi, Claudio

We introduce a finite-system, model description of the initial stages of femtosecond laser induced desorption at surfaces. Using the exact many-body time evolution and also results from a novel time-dependent DFT description for electron-nuclear systems, we analyse the competition between several surface-response mechanisms and electronic correlations in the transient and longer time dynamics under the influence of dipole-coupled fields. Our model allows us to explore how coherent multiple-pulse protocols impact desorption in a variety of prototypical experiments.

Nonlinear dynamic theory for photorefractive phase hologram formation

NASA Technical Reports Server (NTRS)

Kim, D. M.; Shah, R. R.; Rabson, T. A.; Tittle, F. K.

1976-01-01

A nonlinear dynamic theory is developed for the formation of photorefractive volume phase holograms. A feedback mechanism existing between the photogenerated field and free-electron density, treated explicitly, yields the growth and saturation of the space-charge field in a time scale characterized by the coupling strength between them. The expression for the field reduces in the short-time limit to previous theories and approaches in the long-time limit the internal or photovoltaic field. Additionally, the phase of the space charge field is shown to be time-dependent.

Electric-field-driven electron-transfer in mixed-valence molecules.

PubMed

Blair, Enrique P; Corcelli, Steven A; Lent, Craig S

2016-07-07

Molecular quantum-dot cellular automata is a computing paradigm in which digital information is encoded by the charge configuration of a mixed-valence molecule. General-purpose computing can be achieved by arranging these compounds on a substrate and exploiting intermolecular Coulombic coupling. The operation of such a device relies on nonequilibrium electron transfer (ET), whereby the time-varying electric field of one molecule induces an ET event in a neighboring molecule. The magnitude of the electric fields can be quite large because of close spatial proximity, and the induced ET rate is a measure of the nonequilibrium response of the molecule. We calculate the electric-field-driven ET rate for a model mixed-valence compound. The mixed-valence molecule is regarded as a two-state electronic system coupled to a molecular vibrational mode, which is, in turn, coupled to a thermal environment. Both the electronic and vibrational degrees-of-freedom are treated quantum mechanically, and the dissipative vibrational-bath interaction is modeled with the Lindblad equation. This approach captures both tunneling and nonadiabatic dynamics. Relationships between microscopic molecular properties and the driven ET rate are explored for two time-dependent applied fields: an abruptly switched field and a linearly ramped field. In both cases, the driven ET rate is only weakly temperature dependent. When the model is applied using parameters appropriate to a specific mixed-valence molecule, diferrocenylacetylene, terahertz-range ET transfer rates are predicted.

Dynamics of Coupled Electron-Boson Systems with the Multiple Davydov D1 Ansatz and the Generalized Coherent State.

PubMed

Chen, Lipeng; Borrelli, Raffaele; Zhao, Yang

2017-11-22

The dynamics of a coupled electron-boson system is investigated by employing a multitude of the Davydov D 1 trial states, also known as the multi-D 1 Ansatz, and a second trial state based on a superposition of the time-dependent generalized coherent state (GCS Ansatz). The two Ansätze are applied to study population dynamics in the spin-boson model and the Holstein molecular crystal model, and a detailed comparison with numerically exact results obtained by the (multilayer) multiconfiguration time-dependent Hartree method and the hierarchy equations of motion approach is drawn. It is found that the two methodologies proposed here have significantly improved over that with the single D 1 Ansatz, yielding quantitatively accurate results even in the critical cases of large energy biases and large transfer integrals. The two methodologies provide new effective tools for accurate, efficient simulation of many-body quantum dynamics thanks to a relatively small number of parameters which characterize the electron-nuclear wave functions. The wave-function-based approaches are capable of tracking explicitly detailed bosonic dynamics, which is absent by construct in approaches based on the reduced density matrix. The efficiency and flexibility of our methods are also advantages as compared with numerically exact approaches such as QUAPI and HEOM, especially at low temperatures and in the strong coupling regime.

Fluid-structure coupling for an oscillating hydrofoil

NASA Astrophysics Data System (ADS)

Münch, C.; Ausoni, P.; Braun, O.; Farhat, M.; Avellan, F.

2010-08-01

Fluid-structure investigations in hydraulic machines using coupled simulations are particularly time-consuming. In this study, an alternative method is presented that linearizes the hydrodynamic load of a rigid, oscillating hydrofoil. The hydrofoil, which is surrounded by incompressible, turbulent flow, is modeled with forced and free pitching motions, where the mean incidence angle is 0° with a maximum angle amplitude of 2°. Unsteady simulations of the flow, performed with ANSYS CFX, are presented and validated with experiments which were carried out in the EPFL High-Speed Cavitation Tunnel. First, forced motion is investigated for reduced frequencies ranging from 0.02 to 100. The hydrodynamic load is modeled as a simple combination of inertia, damping and stiffness effects. As expected, the potential flow analysis showed the added moment of inertia is constant, while the fluid damping and the fluid stiffness coefficients depend on the reduced frequency of the oscillation motion. Behavioral patterns were observed and two cases were identified depending on if vortices did or did not develop in the hydrofoil wake. Using the coefficients identified in the forced motion case, the time history of the profile incidence is then predicted analytically for the free motion case and excellent agreement is found for the results from coupled fluid-structure simulations. The model is validated and may be extended to more complex cases, such as blade grids in hydraulic machinery.

Nonlinear response of dense colloidal suspensions under oscillatory shear: mode-coupling theory and Fourier transform rheology experiments.

PubMed

Brader, J M; Siebenbürger, M; Ballauff, M; Reinheimer, K; Wilhelm, M; Frey, S J; Weysser, F; Fuchs, M

2010-12-01

Using a combination of theory, experiment, and simulation we investigate the nonlinear response of dense colloidal suspensions to large amplitude oscillatory shear flow. The time-dependent stress response is calculated using a recently developed schematic mode-coupling-type theory describing colloidal suspensions under externally applied flow. For finite strain amplitudes the theory generates a nonlinear response, characterized by significant higher harmonic contributions. An important feature of the theory is the prediction of an ideal glass transition at sufficiently strong coupling, which is accompanied by the discontinuous appearance of a dynamic yield stress. For the oscillatory shear flow under consideration we find that the yield stress plays an important role in determining the nonlinearity of the time-dependent stress response. Our theoretical findings are strongly supported by both large amplitude oscillatory experiments (with Fourier transform rheology analysis) on suspensions of thermosensitive core-shell particles dispersed in water and Brownian dynamics simulations performed on a two-dimensional binary hard-disk mixture. In particular, theory predicts nontrivial values of the exponents governing the final decay of the storage and loss moduli as a function of strain amplitude which are in good agreement with both simulation and experiment. A consistent set of parameters in the presented schematic model achieves to jointly describe linear moduli, nonlinear flow curves, and large amplitude oscillatory spectroscopy.

Etched beam splitters in InP/InGaAsP.

PubMed

Norberg, Erik J; Parker, John S; Nicholes, Steven C; Kim, Byungchae; Krishnamachari, Uppiliappan; Coldren, Larry A

2011-01-17

An etched beam splitter (EBS) photonic coupler based on frustrated total internal reflection (FTIR) is designed, fabricated and characterized in the InP/InGaAsP material system. The EBS offers an ultra compact footprint (8x11 μm) and a complete range of bar/cross coupling ratio designs. A novel pre-etching process is developed to achieve sufficient depth of the etched coupling gaps. Fabricated EBS couplers demonstrate insertion loss between 1 and 2.6 dB with transmission (cross-coupling) ≤ 10%. The results show excellent agreement with 3D finite-difference time-domain (FDTD) modeling. The coupling of EBS has weak wavelength dependence in the C-band, making it suitable for wavelength division multiplexing (WDM) or other wide bandwidth applications. Finally, the EBS is integrated with active semiconductor optical amplifier (SOA) and phase-modulator components; using a flattened ring resonator structure, a channelizing filter tunable in both amplitude and center frequency is demonstrated, as well as an EBS coupled ring laser.

In Situ Generation of Plasmonic Nanoparticles for Manipulating Photon-Plasmon Coupling in Microtube Cavities.

PubMed

Yin, Yin; Wang, Jiawei; Lu, Xueyi; Hao, Qi; Saei Ghareh Naz, Ehsan; Cheng, Chuanfu; Ma, Libo; Schmidt, Oliver G

2018-04-24

In situ generation of silver nanoparticles for selective coupling between localized plasmonic resonances and whispering-gallery modes (WGMs) is investigated by spatially resolved laser dewetting on microtube cavities. The size and morphology of the silver nanoparticles are changed by adjusting the laser power and irradiation time, which in turn effectively tune the photon-plasmon coupling strength. Depending on the relative position of the plasmonic nanoparticles spot and resonant field distribution of WGMs, selective coupling between the localized surface plasmon resonances (LSPRs) and WGMs is experimentally demonstrated. Moreover, by creating multiple plasmonic-nanoparticle spots on the microtube cavity, the field distribution of optical axial modes is freely tuned due to multicoupling between LSPRs and WGMs. The multicoupling mechanism is theoretically investigated by a modified quasipotential model based on perturbation theory. This work provides an in situ fabrication of plasmonic nanoparticles on three-dimensional microtube cavities for manipulating photon-plasmon coupling which is of interest for optical tuning abilities and enhanced light-matter interactions.

Two-dimensional time-dependent modelling of fume formation in a pulsed gas metal arc welding process

NASA Astrophysics Data System (ADS)

Boselli, M.; Colombo, V.; Ghedini, E.; Gherardi, M.; Sanibondi, P.

2013-06-01

Fume formation in a pulsed gas metal arc welding (GMAW) process is investigated by coupling a time-dependent axi-symmetric two-dimensional model, which takes into account both droplet detachment and production of metal vapour, with a model for fume formation and transport based on the method of moments for the solution of the aerosol general dynamic equation. We report simulative results of a pulsed process (peak current = 350 A, background current 30 A, period = 9 ms) for a 1 mm diameter iron wire, with Ar shielding gas. Results showed that metal vapour production occurs mainly at the wire tip, whereas fume formation is concentrated in the fringes of the arc in the spatial region close to the workpiece, where metal vapours are transported by convection. The proposed modelling approach allows time-dependent tracking of fumes also in plasma processes where temperature-time variations occur faster than nanoparticle transport from the nucleation region to the surrounding atmosphere, as is the case for most pulsed GMAW processes.

Nonlinear interaction between underwater explosion bubble and structure based on fully coupled model

NASA Astrophysics Data System (ADS)

Zhang, A. M.; Wu, W. B.; Liu, Y. L.; Wang, Q. X.

2017-08-01

The interaction between an underwater explosion bubble and an elastic-plastic structure is a complex transient process, accompanying violent bubble collapsing, jet impact, penetration through the bubble, and large structural deformation. In the present study, the bubble dynamics are modeled using the boundary element method and the nonlinear transient structural response is modeled using the explicit finite element method. A new fully coupled 3D model is established through coupling the equations for the state variables of the fluid and structure and solving them as a set of coupled linear algebra equations. Based on the acceleration potential theory, the mutual dependence between the hydrodynamic load and the structural motion is decoupled. The pressure distribution in the flow field is calculated with the Bernoulli equation, where the partial derivative of the velocity potential in time is calculated using the boundary integral method to avoid numerical instabilities. To validate the present fully coupled model, the experiments of small-scale underwater explosion near a stiffened plate are carried out. High-speed imaging is used to capture the bubble behaviors and strain gauges are used to measure the strain response. The numerical results correspond well with the experimental data, in terms of bubble shapes and structural strain response. By both the loosely coupled model and the fully coupled model, the interaction between a bubble and a hollow spherical shell is studied. The bubble patterns vary with different parameters. When the fully coupled model and the loosely coupled model are advanced with the same time step, the error caused by the loosely coupled model becomes larger with the coupling effect becoming stronger. The fully coupled model is more stable than the loosely coupled model. Besides, the influences of the internal fluid on the dynamic response of the spherical shell are studied. At last, the case that the bubble interacts with an air-backed stiffened plate is simulated. The associated interesting physical phenomenon is obtained and expounded.

Acoustic mode coupling induced by shallow water nonlinear internal waves: sensitivity to environmental conditions and space-time scales of internal waves.

PubMed

Colosi, John A

2008-09-01

While many results have been intuited from numerical simulation studies, the precise connections between shallow-water acoustic variability and the space-time scales of nonlinear internal waves (NLIWs) as well as the background environmental conditions have not been clearly established analytically. Two-dimensional coupled mode propagation through NLIWs is examined using a perturbation series solution in which each order n is associated with nth-order multiple scattering. Importantly, the perturbation solution gives resonance conditions that pick out specific NLIW scales that cause coupling, and seabed attenuation is demonstrated to broaden these resonances, fundamentally changing the coupling behavior at low frequency. Sound-speed inhomogeneities caused by internal solitary waves (ISWs) are primarily considered and the dependence of mode coupling on ISW amplitude, range width, depth structure, location relative to the source, and packet characteristics are delineated as a function of acoustic frequency. In addition, it is seen that significant energy transfer to modes with initially low or zero energy involves at least a second order scattering process. Under moderate scattering conditions, comparisons of first order, single scattering theoretical predictions to direct numerical simulation demonstrate the accuracy of the approach for acoustic frequencies upto 400 Hz and for single as well as multiple ISW wave packets.

Temperature dependence of (+)-catechin pyran ring proton coupling constants as measured by NMR and modeled using GMMX search methodology

Treesearch

Fred L. Tobiason; Stephen S. Kelley; M. Mark Midland; Richard W. Hemingway

1997-01-01

The pyran ring proton coupling constants for (+)-catechin have been experimentally determined in deuterated methanol over a temperature range of 213 K to 313 K. The experimental coupling constants were simulated to 0.04 Hz on the average at a 90 percent confidence limit using a LAOCOON method. The temperature dependence of the coupling constants was reproduced from the...

Non-autonomous multi-rogue waves for spin-1 coupled nonlinear Gross-Pitaevskii equation and management by external potentials.

PubMed

Li, Li; Yu, Fajun

2017-09-06

We investigate non-autonomous multi-rogue wave solutions in a three-component(spin-1) coupled nonlinear Gross-Pitaevskii(GP) equation with varying dispersions, higher nonlinearities, gain/loss and external potentials. The similarity transformation allows us to relate certain class of multi-rogue wave solutions of the spin-1 coupled nonlinear GP equation to the solutions of integrable coupled nonlinear Schrödinger(CNLS) equation. We study the effect of time-dependent quadratic potential on the profile and dynamic of non-autonomous rogue waves. With certain requirement on the backgrounds, some non-autonomous multi-rogue wave solutions exhibit the different shapes with two peaks and dip in bright-dark rogue waves. Then, the managements with external potential and dynamic behaviors of these solutions are investigated analytically. The results could be of interest in such diverse fields as Bose-Einstein condensates, nonlinear fibers and super-fluids.

Component Framework for Loosely Coupled High Performance Integrated Plasma Simulations

NASA Astrophysics Data System (ADS)

Elwasif, W. R.; Bernholdt, D. E.; Shet, A. G.; Batchelor, D. B.; Foley, S.

2010-11-01

We present the design and implementation of a component-based simulation framework for the execution of coupled time-dependent plasma modeling codes. The Integrated Plasma Simulator (IPS) provides a flexible lightweight component model that streamlines the integration of stand alone codes into coupled simulations. Standalone codes are adapted to the IPS component interface specification using a thin wrapping layer implemented in the Python programming language. The framework provides services for inter-component method invocation, configuration, task, and data management, asynchronous event management, simulation monitoring, and checkpoint/restart capabilities. Services are invoked, as needed, by the computational components to coordinate the execution of different aspects of coupled simulations on Massive parallel Processing (MPP) machines. A common plasma state layer serves as the foundation for inter-component, file-based data exchange. The IPS design principles, implementation details, and execution model will be presented, along with an overview of several use cases.

Conformist-contrarian interactions and amplitude dependence in the Kuramoto model

NASA Astrophysics Data System (ADS)

Lohe, M. A.

2014-11-01

We derive exact formulas for the frequency of synchronized oscillations in Kuramoto models with conformist-contrarian interactions, and determine necessary conditions for synchronization to occur. Numerical computations show that for certain parameters repulsive nodes behave as conformists, and that in other cases attractive nodes can display frustration, being neither conformist nor contrarian. The signs of repulsive couplings can be placed equivalently outside the sum, as proposed in Hong and Strogatz (2011 Phys. Rev. Lett. 106 054102), or inside the sum as in Hong and Strogatz (2012 Phys. Rev. E 85 056210), but the two models have different characteristics for small magnitudes of the coupling constants. In the latter case we show that the distributed coupling constants can be viewed as oscillator amplitudes which are constant in time, with the property that oscillators of small amplitude couple only weakly to connected nodes. Such models provide a means of investigating the effect of amplitude variations on synchronization properties.

Coupled π π , K K ¯ scattering in P -wave and the ρ resonance from lattice QCD

DOE PAGES

Wilson, David J.; Briceño, Raúl A.; Dudek, Jozef J.; ...

2015-11-02

In this study, we determine elastic and coupled-channel amplitudes for isospin-1 meson-meson scattering inmore » $P$-wave, by calculating correlation functions using lattice QCD with light quark masses such that $$m_\\pi = 236$$ MeV in a cubic volume of $$\\sim (4 \\,\\mathrm{fm})^3$$. Variational analyses of large matrices of correlation functions computed using operator constructions resembling $$\\pi\\pi$$, $$K\\overline{K}$$ and $$q\\bar{q}$$, in several moving frames and several lattice irreducible representations, leads to discrete energy spectra from which scattering amplitudes are extracted. In the elastic $$\\pi\\pi$$ scattering region we obtain a detailed energy-dependence for the phase-shift, corresponding to a $$\\rho$$ resonance, and we extend the analysis into the coupled-channel $$K\\overline{K}$$ region for the first time, finding a small coupling between the channels.« less

The temperature dependence of vibronic lineshapes: Linear electron-phonon coupling

NASA Astrophysics Data System (ADS)

Roos, Claudia; Köhn, Andreas; Gauss, Jürgen; Diezemann, Gregor

2014-10-01

We calculate the effect of a linear electron-phonon coupling on vibronic transitions of dye molecules of arbitrary complexity. With the assumption of known vibronic frequencies (for instance from quantum-chemical calculations), we give expressions for the absorption or emission lineshapes in a second-order cumulant expansion. We show that the results coincide with those obtained from generalized Redfield theory if one uses the time-local version of the theory and applies the secular approximation. Furthermore, the theory allows to go beyond the Huang-Rhys approximation and can be used to incorporate Dushinsky effects in the treatment of the temperature dependence of optical spectra. We consider both, a pure electron-phonon coupling independent of the molecular vibrations and a coupling bilinear in the molecular vibrational modes and the phonon coordinates. We discuss the behavior of the vibronic density of states for various models for the spectral density representing the coupling of the vibronic system to the harmonic bath. We recover some of the results that have been derived earlier for the spin-boson model and we show that the behavior of the spectral density at low frequencies determines the dominant features of the spectra. In case of the bilinear coupling between the molecular vibrations and the phonons we give analytical expressions for different spectral densities. The spectra are reminiscent of those obtained from the well known Brownian oscillator model and one finds a zero-phonon line and phonon-side bands located at vibrational frequencies of the dye. The intensity of the phonon-side bands diminishes with increasing vibrational frequencies and with decreasing coupling strength (Huang-Rhys factor). It vanishes completely in the Markovian limit where only a Lorentzian zero-phonon line is observed.

Signal dependence of inter-pixel capacitance in hybridized HgCdTe H2RG arrays for use in James Webb space telescope's NIRcam

NASA Astrophysics Data System (ADS)

Donlon, Kevan; Ninkov, Zoran; Baum, Stefi

2016-08-01

Interpixel capacitance (IPC) is a deterministic electronic coupling by which signal generated in one pixel is measured in neighboring pixels. Examination of dark frames from test NIRcam arrays corroborates earlier results and simulations illustrating a signal dependent coupling. When the signal on an individual pixel is larger, the fractional coupling to nearest neighbors is lesser than when the signal is lower. Frames from test arrays indicate a drop in average coupling from approximately 1.0% at low signals down to approximately 0.65% at high signals depending on the particular array in question. The photometric ramifications for this non-uniformity are not fully understood. This non-uniformity intro-duces a non-linearity in the current mathematical model for IPC coupling. IPC coupling has been mathematically formalized as convolution by a blur kernel. Signal dependence requires that the blur kernel be locally defined as a function of signal intensity. Through application of a signal dependent coupling kernel, the IPC coupling can be modeled computationally. This method allows for simultaneous knowledge of the intrinsic parameters of the image scene, the result of applying a constant IPC, and the result of a signal dependent IPC. In the age of sub-pixel precision in astronomy these effects must be properly understood and accounted for in order for the data to accurately represent the object of observation. Implementation of this method is done through python scripted processing of images. The introduction of IPC into simulated frames is accomplished through convolution of the image with a blur kernel whose parameters are themselves locally defined functions of the image. These techniques can be used to enhance the data processing pipeline for NIRcam.

Quantum dynamics of the reaction H((2)S) + HeH(+)(X(1)Σ(+)) → H2(+)(X(2)Σg(+)) + He((1)S) from cold to hyperthermal energies: time-dependent wavepacket study and comparison with time-independent calculations.

PubMed

Gamallo, Pablo; Akpinar, Sinan; Defazio, Paolo; Petrongolo, Carlo

2014-08-21

We present the adiabatic quantum dynamics of the proton-transfer reaction H((2)S) + HeH(+)(X(1)Σ(+)) → H2(+)(X(2)Σg(+)) + He((1)S) on the HeH2(+) X̃(2)Σ(+) RMRCI6 (M = 6) PES of C. N. Ramachandran et al. ( Chem. Phys. Lett. 2009, 469, 26). We consider the HeH(+) molecule in the ground vibrational–rotational state and obtain initial-state-resolved reaction probabilities and the ground-state cross section σ0 and rate constant k0 by propagating time-dependent, coupled-channel, real wavepackets (RWPs) and performing a flux analysis. Three different wavepackets are propagated to describe the wide range of energies explored, from cold (0.0001 meV) to hyperthermal (1000 meV) collision energies, and in a temperature range from 0.01 to 2000 K. We compare our time-dependent results with the time-independent ones by D. De Fazio and S. Bovino et al., where De Fazio carried out benchmark coupled-channel calculations whereas Bovino et al. employed the negative imaginary potential and the centrifugal-sudden approximations. The RWP cross section is in good agreement with that by De Fazio, except at the lowest collision energies below ∼0.01 meV, where the former is larger than the latter. However, neither the RWP and De Fazio results possess the huge resonance in probability and cross section at 0.01 meV, found by Bovino et al., who also obtained a too low σ0 at high energies. Therefore, the RWP and De Fazio rate constants compare quite well, whereas that by Bovino et al. is in general lower.

Spontaneous repulsion in the A +B →0 reaction on coupled networks

NASA Astrophysics Data System (ADS)

Lazaridis, Filippos; Gross, Bnaya; Maragakis, Michael; Argyrakis, Panos; Bonamassa, Ivan; Havlin, Shlomo; Cohen, Reuven

2018-04-01

We study the transient dynamics of an A +B →0 process on a pair of randomly coupled networks, where reactants are initially separated. We find that, for sufficiently small fractions q of cross couplings, the concentration of A (or B ) particles decays linearly in a first stage and crosses over to a second linear decrease at a mixing time tx. By numerical and analytical arguments, we show that for symmetric and homogeneous structures tx∝(/q)log(/q) where is the mean degree of both networks. Being this behavior is in marked contrast with a purely diffusive process, where the mixing time would go simply like /q , we identify the logarithmic slowing down in tx to be the result of a spontaneous mechanism of repulsion between the reactants A and B due to the interactions taking place at the networks' interface. We show numerically how this spontaneous repulsion effect depends on the topology of the underlying networks.

Theoretical analysis of cross-talking signals between counter-streaming electron beams in a vacuum tube oscillator

NASA Astrophysics Data System (ADS)

Shin, Y. M.; Ryskin, N. M.; Won, J. H.; Han, S. T.; Park, G. S.

2006-03-01

The basic theory of cross-talking signals between counter-streaming electron beams in a vacuum tube oscillator consisting of two two-cavity klystron amplifiers reversely coupled through input/output slots is theoretically investigated. Application of Kirchhoff's laws to the coupled equivalent RLC circuit model of the device provides four nonlinear coupled equations, which are the first-order time-delayed differential equations. Analytical solutions obtained through linearization of the equations provide oscillation frequencies and thresholds of four fundamental eigenstates, symmetric/antisymmetric 0/π modes. Time-dependent output signals are numerically analyzed with variation of the beam current, and a self-modulation mechanism and transition to chaos scenario are examined. The oscillator shows a much stronger multistability compared to a delayed feedback klystron oscillator owing to the competitions among more diverse eigenmodes. A fully developed chaos region also appears at a relatively lower beam current, ˜3.5Ist, compared to typical vacuum tube oscillators (10-100Ist), where Ist is a start-oscillation current.

Restoring interlayer Josephson coupling in La 1.885 Ba 0.115 CuO 4 by charge transfer melting of stripe order

DOE PAGES

Khanna, V.; Mankowsky, R.; Petrich, M.; ...

2016-06-30

Here, we show that disruption of charge-density-wave (stripe) order by charge transfer excitation, enhances the superconducting phase rigidity in La 1.885Ba 0.115CuO 4. Time-resolved resonant soft x-ray diffraction demonstrates that charge order melting is prompt following near-infrared photoexcitation whereas the crystal structure remains intact for moderate fluences. THz time-domain spectroscopy reveals that, for the first 2 ps following photoexcitation, a new Josephson plasma resonance edge, at higher frequency with respect to the equilibrium edge, is induced indicating enhanced superconducting interlayer coupling. Furthermore, the fluence dependence of the charge-order melting and the enhanced superconducting interlayer coupling are correlated with a saturationmore » limit of ~0.5mJ/cm 2. When using a combination of x-ray and optical spectroscopies we establish a hierarchy of timescales between enhanced superconductivity, melting of charge order, and rearrangement of the crystal structure.« less

Manipulating Nonlinear Emission and Cooperative Effect of CdSe/ZnS Quantum Dots by Coupling to a Silver Nanorod Complex Cavity

PubMed Central

Nan, Fan; Cheng, Zi-Qiang; Wang, Ya-Lan; Zhang, Qing; Zhou, Li; Yang, Zhong-Jian; Zhong, Yu-Ting; Liang, Shan; Xiong, Qihua; Wang, Qu-Quan

2014-01-01

Colloidal semiconductor quantum dots have three-dimensional confined excitons with large optical oscillator strength and gain. The surface plasmons of metallic nanostructures offer an efficient tool to enhance exciton-exciton coupling and excitation energy transfer at appropriate geometric arrangement. Here, we report plasmon-mediated cooperative emissions of approximately one monolayer of ensemble CdSe/ZnS quantum dots coupled with silver nanorod complex cavities at room temperature. Power-dependent spectral shifting, narrowing, modulation, and amplification are demonstrated by adjusting longitudinal surface plasmon resonance of silver nanorods, reflectivity and phase shift of silver nanostructured film, and mode spacing of the complex cavity. The underlying physical mechanism of the nonlinear excitation energy transfer and nonlinear emissions are further investigated and discussed by using time-resolved photoluminescence and finite-difference time-domain numerical simulations. Our results suggest effective strategies to design active plasmonic complex cavities for cooperative emission nanodevices based on semiconductor quantum dots. PMID:24787617

Restoring interlayer Josephson coupling in La 1.885 Ba 0.115 CuO 4 by charge transfer melting of stripe order

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khanna, V.; Mankowsky, R.; Petrich, M.

Here, we show that disruption of charge-density-wave (stripe) order by charge transfer excitation, enhances the superconducting phase rigidity in La 1.885Ba 0.115CuO 4. Time-resolved resonant soft x-ray diffraction demonstrates that charge order melting is prompt following near-infrared photoexcitation whereas the crystal structure remains intact for moderate fluences. THz time-domain spectroscopy reveals that, for the first 2 ps following photoexcitation, a new Josephson plasma resonance edge, at higher frequency with respect to the equilibrium edge, is induced indicating enhanced superconducting interlayer coupling. Furthermore, the fluence dependence of the charge-order melting and the enhanced superconducting interlayer coupling are correlated with a saturationmore » limit of ~0.5mJ/cm 2. When using a combination of x-ray and optical spectroscopies we establish a hierarchy of timescales between enhanced superconductivity, melting of charge order, and rearrangement of the crystal structure.« less

Molecular wave function and effective adiabatic potentials calculated by extended multi-configuration time-dependent Hartree-Fock method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru

We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understandmore » dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.« less

Space-Time Dependent Transport, Activation, and Dose Rates for Radioactivated Fluids.

NASA Astrophysics Data System (ADS)

Gavazza, Sergio

Two methods are developed to calculate the space - and time-dependent mass transport of radionuclides, their production and decay, and the associated dose rates generated from the radioactivated fluids flowing through pipes. The work couples space- and time-dependent phenomena, treated as only space- or time-dependent in the open literature. The transport and activation methodology (TAM) is used to numerically calculate space- and time-dependent transport and activation of radionuclides in fluids flowing through pipes exposed to radiation fields, and volumetric radioactive sources created by radionuclide motions. The computer program Radionuclide Activation and Transport in Pipe (RNATPA1) performs the numerical calculations required in TAM. The gamma ray dose methodology (GAM) is used to numerically calculate space- and time-dependent gamma ray dose equivalent rates from the volumetric radioactive sources determined by TAM. The computer program Gamma Ray Dose Equivalent Rate (GRDOSER) performs the numerical calculations required in GAM. The scope of conditions considered by TAM and GAM herein include (a) laminar flow in straight pipe, (b)recirculating flow schemes, (c) time-independent fluid velocity distributions, (d) space-dependent monoenergetic neutron flux distribution, (e) space- and time-dependent activation process of a single parent nuclide and transport and decay of a single daughter radionuclide, and (f) assessment of space- and time-dependent gamma ray dose rates, outside the pipe, generated by the space- and time-dependent source term distributions inside of it. The methodologies, however, can be easily extended to include all the situations of interest for solving the phenomena addressed in this dissertation. A comparison is made from results obtained by the described calculational procedures with analytical expressions. The physics of the problems addressed by the new technique and the increased accuracy versus non -space and time-dependent methods are presented. The value of the methods is also discussed. It has been demonstrated that TAM and GAM can be used to enhance the understanding of the space- and time-dependent mass transport of radionuclides, their production and decay, and the associated dose rates related to radioactivated fluids flowing through pipes.

Finite-Time and Fixed-Time Cluster Synchronization With or Without Pinning Control.

PubMed

Liu, Xiwei; Chen, Tianping

2018-01-01

In this paper, the finite-time and fixed-time cluster synchronization problem for complex networks with or without pinning control are discussed. Finite-time (or fixed-time) synchronization has been a hot topic in recent years, which means that the network can achieve synchronization in finite-time, and the settling time depends on the initial values for finite-time synchronization (or the settling time is bounded by a constant for any initial values for fixed-time synchronization). To realize the finite-time and fixed-time cluster synchronization, some simple distributed protocols with or without pinning control are designed and the effectiveness is rigorously proved. Several sufficient criteria are also obtained to clarify the effects of coupling terms for finite-time and fixed-time cluster synchronization. Especially, when the cluster number is one, the cluster synchronization becomes the complete synchronization problem; when the network has only one node, the coupling term between nodes will disappear, and the synchronization problem becomes the simplest master-slave case, which also includes the stability problem for nonlinear systems like neural networks. All these cases are also discussed. Finally, numerical simulations are presented to demonstrate the correctness of obtained theoretical results.

Ground resonance analysis using a substructure modeling approach

NASA Technical Reports Server (NTRS)

Chen, S.-Y.; Berman, A.; Austin, E. E.

1984-01-01

A convenient and versatile procedure for modeling and analyzing ground resonance phenomena is described and illustrated. A computer program is used which dynamically couples differential equations with nonlinear and time dependent coefficients. Each set of differential equations may represent a component such as a rotor, fuselage, landing gear, or a failed damper. Arbitrary combinations of such components may be formulated into a model of a system. When the coupled equations are formed, a procedure is executed which uses a Floquet analysis to determine the stability of the system. Illustrations of the use of the procedures along with the numerical examples are presented.

Ground resonance analysis using a substructure modeling approach

NASA Technical Reports Server (NTRS)

Chen, S. Y.; Austin, E. E.; Berman, A.

1985-01-01

A convenient and versatile procedure for modeling and analyzing ground resonance phenomena is described and illustrated. A computer program is used which dynamically couples differential equations with nonlinear and time dependent coefficients. Each set of differential equations may represent a component such as a rotor, fuselage, landing gear, or a failed damper. Arbitrary combinations of such components may be formulated into a model of a system. When the coupled equations are formed, a procedure is executed which uses a Floquet analysis to determine the stability of the system. Illustrations of the use of the procedures along with the numerical examples are presented.

Thermal emergence of laser-induced spin dynamics for a Ni4 cluster

NASA Astrophysics Data System (ADS)

Sold, S.; Lefkidis, G.; Kamble, B.; Berakdar, J.; Hübner, W.

2018-05-01

We investigate the thermodynamic behavior of laser-induced spin dynamics of a perfect and a distorted Ni4 square in combination with an external thermal bath, by using the Lindblad-superoperator formalism. The energies of the planar molecules are determined with highly correlated ab initio quantum-chemistry calculations. When the distorted structure couples to the thermal bath a unique spin dynamics, i.e., a spin flip, emerges, due to the interplay of optically and thermally induced electronic transitions. The charge and spin relaxation times in dependence on the coupling strength and the bath temperature are determined and compared.

Synthetic clock states generated in a Bose-Einstein condensate via continuous dynamical decoupling

NASA Astrophysics Data System (ADS)

Lundblad, Nathan; Trypogeorgos, Dimitrios; Valdes-Curiel, Ana; Marshall, Erin; Spielman, Ian

2017-04-01

Radiofrequency- or microwave-dressed states have been used in NV center and ion-trap experiments to extend coherence times, shielding qubits from magnetic field noise through a process known as continuous dynamical decoupling. Such field-insensitive dressed states, as applied in the context of ultracold neutral atoms, have applications related to the creation of novel phases of spin-orbit-coupled quantum matter. We present observations of such a protected dressed-state system in a Bose-Einstein condensate, including measurements of the dependence of the protection on rf coupling strength, and estimates of residual field sensitivities.

Fronts in extended systems of bistable maps coupled via convolutions

NASA Astrophysics Data System (ADS)

Coutinho, Ricardo; Fernandez, Bastien

2004-01-01

An analysis of front dynamics in discrete time and spatially extended systems with general bistable nonlinearity is presented. The spatial coupling is given by the convolution with distribution functions. It allows us to treat in a unified way discrete, continuous or partly discrete and partly continuous diffusive interactions. We prove the existence of fronts and the uniqueness of their velocity. We also prove that the front velocity depends continuously on the parameters of the system. Finally, we show that every initial configuration that is an interface between the stable phases propagates asymptotically with the front velocity.

Maximizing entanglement in bosonic Josephson junctions using shortcuts to adiabaticity and optimal control

NASA Astrophysics Data System (ADS)

Stefanatos, Dionisis; Paspalakis, Emmanuel

2018-05-01

In this article we consider a bosonic Josephson junction, a model system composed by two coupled nonlinear quantum oscillators which can be implemented in various physical contexts, initially prepared in a product of weakly populated coherent states. We quantify the maximum achievable entanglement between the modes of the junction and then use shortcuts to adiabaticity, a method developed to speed up adiabatic quantum dynamics, as well as numerical optimization, to find time-dependent controls (the nonlinearity and the coupling of the junction) which bring the system to a maximally entangled state.

Angular dependence of spin-orbit spin-transfer torques

NASA Astrophysics Data System (ADS)

Lee, Ki-Seung; Go, Dongwook; Manchon, Aurélien; Haney, Paul M.; Stiles, M. D.; Lee, Hyun-Woo; Lee, Kyung-Jin

2015-04-01

In ferromagnet/heavy-metal bilayers, an in-plane current gives rise to spin-orbit spin-transfer torque, which is usually decomposed into fieldlike and dampinglike torques. For two-dimensional free-electron and tight-binding models with Rashba spin-orbit coupling, the fieldlike torque acquires nontrivial dependence on the magnetization direction when the Rashba spin-orbit coupling becomes comparable to the exchange interaction. This nontrivial angular dependence of the fieldlike torque is related to the Fermi surface distortion, determined by the ratio of the Rashba spin-orbit coupling to the exchange interaction. On the other hand, the dampinglike torque acquires nontrivial angular dependence when the Rashba spin-orbit coupling is comparable to or stronger than the exchange interaction. It is related to the combined effects of the Fermi surface distortion and the Fermi sea contribution. The angular dependence is consistent with experimental observations and can be important to understand magnetization dynamics induced by spin-orbit spin-transfer torques.

Development of structural correlations and synchronization from adaptive rewiring in networks of Kuramoto oscillators

NASA Astrophysics Data System (ADS)

Papadopoulos, Lia; Kim, Jason Z.; Kurths, Jürgen; Bassett, Danielle S.

2017-07-01

Synchronization of non-identical oscillators coupled through complex networks is an important example of collective behavior, and it is interesting to ask how the structural organization of network interactions influences this process. Several studies have explored and uncovered optimal topologies for synchronization by making purposeful alterations to a network. On the other hand, the connectivity patterns of many natural systems are often not static, but are rather modulated over time according to their dynamics. However, this co-evolution and the extent to which the dynamics of the individual units can shape the organization of the network itself are less well understood. Here, we study initially randomly connected but locally adaptive networks of Kuramoto oscillators. In particular, the system employs a co-evolutionary rewiring strategy that depends only on the instantaneous, pairwise phase differences of neighboring oscillators, and that conserves the total number of edges, allowing the effects of local reorganization to be isolated. We find that a simple rule—which preserves connections between more out-of-phase oscillators while rewiring connections between more in-phase oscillators—can cause initially disordered networks to organize into more structured topologies that support enhanced synchronization dynamics. We examine how this process unfolds over time, finding a dependence on the intrinsic frequencies of the oscillators, the global coupling, and the network density, in terms of how the adaptive mechanism reorganizes the network and influences the dynamics. Importantly, for large enough coupling and after sufficient adaptation, the resulting networks exhibit interesting characteristics, including degree-frequency and frequency-neighbor frequency correlations. These properties have previously been associated with optimal synchronization or explosive transitions in which the networks were constructed using global information. On the contrary, by considering a time-dependent interplay between structure and dynamics, this work offers a mechanism through which emergent phenomena and organization can arise in complex systems utilizing local rules.

Coupled metal partitioning dynamics and toxicodynamics at biointerfaces: a theory beyond the biotic ligand model framework.

PubMed

Duval, Jérôme F L

2016-04-14

A mechanistic understanding of the processes governing metal toxicity to microorganisms (bacteria, algae) calls for an adequate formulation of metal partitioning at biointerfaces during cell exposure. This includes the account of metal transport dynamics from bulk solution to biomembrane and the kinetics of metal internalisation, both potentially controlling the intracellular and surface metal fractions that originate cell growth inhibition. A theoretical rationale is developed here for such coupled toxicodynamics and interfacial metal partitioning dynamics under non-complexing medium conditions with integration of the defining cell electrostatic properties. The formalism explicitly considers intertwined metal adsorption at the biointerface, intracellular metal excretion, cell growth and metal depletion from bulk solution. The theory is derived under relevant steady-state metal transport conditions on the basis of coupled Nernst-Planck equation and continuous logistic equation modified to include metal-induced cell growth inhibition and cell size changes. Computational examples are discussed to identify limitations of the classical Biotic Ligand Model (BLM) in evaluating metal toxicity over time. In particular, BLM is shown to severely underestimate metal toxicity depending on cell exposure time, metal internalisation kinetics, cell surface electrostatics and initial cell density. Analytical expressions are provided for the interfacial metal concentration profiles in the limit where cell-growth is completely inhibited. A rigorous relationship between time-dependent cell density and metal concentrations at the biosurface and in bulk solution is further provided, which unifies previous equations formulated by Best and Duval under constant cell density and cell size conditions. The theory is sufficiently flexible to adapt to toxicity scenarios with involved cell survival-death processes.

Temperature dependence of the structural relaxation time in equilibrium below the nominal T(g): results from freestanding polymer films.

PubMed

Ngai, K L; Capaccioli, Simone; Paluch, Marian; Prevosto, Daniele

2014-05-22

When the thickness is reduced to nanometer scale, freestanding high molecular weight polymer thin films undergo large reduction of degree of cooperativity and coupling parameter n in the Coupling Model (CM). The finite-size effect together with the surfaces with high mobility make the α-relaxation time of the polymer in nanoconfinement, τ(α)(nano)(T), much shorter than τ(α)(bulk)(T) in the bulk. The consequence is avoidance of vitrification at and below the bulk glass transition temperature, T(g)(bulk), on cooling, and the freestanding polymer thin film remains at thermodynamic equilibrium at temperatures below T(g)(bulk). Molecular dynamics simulations have shown that the specific volume of the freestanding film is the same as the bulk glass-former at equilibrium at the same temperatures. Extreme nanoconfinement renders total or almost total removal of cooperativity of the α-relaxation, and τ(α)(nano)(T) becomes the same or almost the same as the JG β-relaxation time τ(β)(bulk)(T) of the bulk glass-former at equilibrium and at temperatures below T(g)(bulk). Taking advantage of being able to obtain τ(β)(bulk)(T) at equilibrium density below T(g)(bulk) by extreme nanoconfinement of the freestanding films, and using the CM relation between τ(α)(bulk)(T) and τ(β)(bulk)(T), we conclude that the Vogel-Fulcher-Tammann-Hesse (VFTH) dependence of τ(α)(bulk)(T) cannot hold for glass-formers in equilibrium at temperatures significantly below T(g)(bulk). In addition, τ(α)(bulk)(T) does not diverge at the Vogel temperature, T₀, as suggested by the VFTH-dependence and predicted by some theories of glass transition. Instead, τ(α)(bulk)(T) of the glass-former at equilibrium has a much weaker temperature dependence than the VFTH-dependence at temperature below T(g)(bulk) and even below T₀. This conclusion from our analysis is consistent with the temperature dependence of τ(α)(bulk)(T) found experimentally in polymers aged long enough time to attain the equilibrium state at various temperatures below T(g)(bulk).

Characterization of a novel function-blocking antibody targeted against the platelet P2Y1 receptor.

PubMed

Karim, Zubair A; Vemana, Hari Priya; Alshbool, Fatima Z; Lin, Olivia A; Alshehri, Abdullah M; Javaherizadeh, Payam; Paez Espinosa, Enma V; Khasawneh, Fadi T

2015-03-01

Platelet hyperactivity is associated with vascular disease and contributes to the genesis of thrombotic disorders. ADP plays an important role in platelet activation and activates platelets through 2 G-protein-coupled receptors, the Gq-coupled P2Y1 receptor (P2Y1R), and the Gi-coupled P2Y12 receptor. Although the involvement of the P2Y1R in thrombogenesis is well established, there are no antagonists that are currently available for clinical use. Our goal is to determine whether a novel antibody targeting the ligand-binding domain, ie, second extracellular loop (EL2) of the P2Y1R (EL2Ab) could inhibit platelet function and protect against thrombogenesis. Our results revealed that the EL2Ab does indeed inhibit ADP-induced platelet aggregation, in a dose-dependent manner. Furthermore, EL2Ab was found to inhibit integrin GPIIb-IIIa activation, dense and α granule secretion, and phosphatidylserine exposure. These inhibitory effects translated into protection against thrombus formation, as evident by a prolonged time for occlusion in a FeCl3-induced thrombosis model, but this was accompanied by a prolonged tail bleeding time. We also observed a dose-dependent displacement of the radiolabeled P2Y1R antagonist [(3)H]MRS2500 from its ligand-binding site by EL2Ab. Collectively, our findings demonstrate that EL2Ab binds to and exhibits P2Y1R-dependent function-blocking activity in the context of platelets. These results add further evidence for a role of the P2Y1R in thrombosis and validate the concept that targeting it is a relevant alternative or complement to current antiplatelet strategies. © 2015 American Heart Association, Inc.

Real-time monitoring of pH-dependent intracellular trafficking of ovarian cancer G protein-coupled receptor 1 in living leukocytes.

PubMed

Tan, Modong; Yamaguchi, Satoshi; Nakamura, Motonao; Nagamune, Teruyuki

2018-04-11

G-protein coupled receptors (GPCRs) are involved in many diseases and important biological phenomena; elucidating the mechanisms underlying regulation of their signal transduction potentially provides both novel targets for drug discovery and insight into living systems. A proton-sensing GPCR, ovarian cancer G protein-coupled receptor 1 (OGR1), has been reported to be related to acidosis and diseases that cause tissue acidification, but the mechanism of proton-induced activation of OGR1-mediated signal transduction in acidic conditions remains unclear. Here, pH-dependent intracellular trafficking of OGR1 was visualized in living leukocytes by a real-time fluorescence microscopic method based on sortase A-mediated pulse labeling of OGR1. OGR1 labeled on the cell surface with a small fluorescent dye was clearly observed to remain in the plasma membrane during incubation in mildly acidic medium (pH 6.6) and to be internalized to the intracellular compartments on changing the medium to slightly basic pH (7.7). Quantitative single-cell image analysis showed that most of the internalized OGR1s were then recycled to the plasma membrane for signal transduction if the extracellular pH was returned to the mildly acidic state. However, in a minor population of cells (40%), the internalized OGR1s were retained in endosomes or transported to lysosomes and degraded, leading to low efficiency of their recycling to the plasma membrane. Thus, the present live-cell monitoring strongly suggests that the signal transduction activity of OGR1 is regulated by pH-dependent internalization and recycling to the plasma membrane. Copyright © 2018 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics.

PubMed

Padula, Daniele; Lee, Myeong H; Claridge, Kirsten; Troisi, Alessandro

2017-11-02

In this paper, we adopt an approach suitable for monitoring the time evolution of the intramolecular contribution to the spectral density of a set of identical chromophores embedded in their respective environments. We apply the proposed method to the Fenna-Matthews-Olson (FMO) complex, with the objective to quantify the differences among site-dependent spectral densities and the impact of such differences on the exciton dynamics of the system. Our approach takes advantage of the vertical gradient approximation to reduce the computational demands of the normal modes analysis. We show that the region of the spectral density that is believed to strongly influence the exciton dynamics changes significantly in the timescale of tens of nanoseconds. We then studied the impact of the intramolecular vibrations on the exciton dynamics by considering a model of FMO in a vibronic basis and neglecting the interaction with the environment to isolate the role of the intramolecular exciton-vibration coupling. In agreement with the assumptions in the literature, we demonstrate that high frequency modes at energy much larger than the excitonic energy splitting have negligible influence on exciton dynamics despite the large exciton-vibration coupling. We also find that the impact of including the site-dependent spectral densities on exciton dynamics is not very significant, indicating that it may be acceptable to apply the same spectral density on all sites. However, care needs to be taken for the description of the exciton-vibrational coupling in the low frequency part of intramolecular modes because exciton dynamics is more susceptible to low frequency modes despite their small Huang-Rhys factors.

A coupled approach for the three-dimensional simulation of pipe leakage in variably saturated soil

NASA Astrophysics Data System (ADS)

Peche, Aaron; Graf, Thomas; Fuchs, Lothar; Neuweiler, Insa

2017-12-01

In urban water pipe networks, pipe leakage may lead to subsurface contamination or to reduced waste water treatment efficiency. The quantification of pipe leakage is challenging due to inaccessibility and unknown hydraulic properties of the soil. A novel physically-based model for three-dimensional numerical simulation of pipe leakage in variably saturated soil is presented. We describe the newly implemented coupling between the pipe flow simulator HYSTEM-EXTRAN and the groundwater flow simulator OpenGeoSys and its validation. We further describe a novel upscaling of leakage using transfer functions derived from numerical simulations. This upscaling enables the simulation of numerous pipe defects with the benefit of reduced computation times. Finally, we investigate the response of leakage to different time-dependent pipe flow events and conclude that larger pipe flow volume and duration lead to larger leakage while the peak position in time has a small effect on leakage.

Time evolution of two holes in t - J chains with anisotropic couplings

NASA Astrophysics Data System (ADS)

Manmana, Salvatore R.; Thyen, Holger; Köhler, Thomas; Kramer, Stephan C.

Using time-dependent Matrix Product State (MPS) methods we study the real-time evolution of hole-excitations in t-J chains close to filling n = 1 . The dynamics in 'standard' t - J chains with SU(2) invariant spin couplings is compared to the one when introducing anisotropic, XXZ-type spin interactions as realizable, e.g., by ultracold polar molecules on optical lattices. The simulations are performed with MPS implementations based on the usual singular value decompositions (SVD) as well as ones using the adaptive cross approximation (ACA) instead. The ACA can be seen as an iterative approach to SVD which is often used, e.g., in the context of finite-element-methods, leading to a substantial speedup. A comparison of the performance of both algorithms in the MPS context is discussed. Financial support via DFG through CRC 1073 (''Atomic scale control of energy conversion''), project B03 is gratefully acknowledged.

Pb and Sr isotope measurements by inductively coupled plasma mass spectrometer: efficient time management for precision improvement

NASA Astrophysics Data System (ADS)

Monna, F.; Loizeau, J.-L.; Thomas, B. A.; Guéguen, C.; Favarger, P.-Y.

1998-08-01

One of the factors limiting the precision of inductively coupled plasma mass spectrometry is the counting statistics, which depend upon acquisition time and ion fluxes. In the present study, the precision of the isotopic measurements of Pb and Sr is examined. The time of measurement is optimally shared for each isotope, using a mathematical simulation, to provide the lowest theoretical analytical error. Different algorithms of mass bias correction are also taken into account and evaluated in term of improvement of overall precision. Several experiments allow a comparison of real conditions with theory. The present method significantly improves the precision, regardless of the instrument used. However, this benefit is more important for equipment which originally yields a precision close to that predicted by counting statistics. Additionally, the procedure is flexible enough to be easily adapted to other problems, such as isotopic dilution.

Exploring the anisotropic Kondo model in and out of equilibrium with alkaline-earth atoms

NASA Astrophysics Data System (ADS)

Kanász-Nagy, Márton; Ashida, Yuto; Shi, Tao; Moca, Cǎtǎlin Paşcu; Ikeda, Tatsuhiko N.; Fölling, Simon; Cirac, J. Ignacio; Zaránd, Gergely; Demler, Eugene A.

2018-04-01

We propose a scheme to realize the Kondo model with tunable anisotropy using alkaline-earth atoms in an optical lattice. The new feature of our setup is Floquet engineering of interactions using time-dependent Zeeman shifts, that can be realized either using state-dependent optical Stark shifts or magnetic fields. The properties of the resulting Kondo model strongly depend on the anisotropy of the ferromagnetic interactions. In particular, easy-plane couplings give rise to Kondo singlet formation even though microscopic interactions are all ferromagnetic. We discuss both equilibrium and dynamical properties of the system that can be measured with ultracold atoms, including the impurity spin susceptibility, the impurity spin relaxation rate, as well as the equilibrium and dynamical spin correlations between the impurity and the ferromagnetic bath atoms. We analyze the nonequilibrium time evolution of the system using a variational non-Gaussian approach, which allows us to explore coherent dynamics over both short and long timescales, as set by the bandwidth and the Kondo singlet formation, respectively. In the quench-type experiments, when the Kondo interaction is suddenly switched on, we find that real-time dynamics shows crossovers reminiscent of poor man's renormalization group flow used to describe equilibrium systems. For bare easy-plane ferromagnetic couplings, this allows us to follow the formation of the Kondo screening cloud as the dynamics crosses over from ferromagnetic to antiferromagnetic behavior. On the other side of the phase diagram, our scheme makes it possible to measure quantum corrections to the well-known Korringa law describing the temperature dependence of the impurity spin relaxation rate. Theoretical results discussed in our paper can be measured using currently available experimental techniques.

Coordination of Slow Waves With Sleep Spindles Predicts Sleep-Dependent Memory Consolidation in Schizophrenia.

PubMed

Demanuele, Charmaine; Bartsch, Ullrich; Baran, Bengi; Khan, Sheraz; Vangel, Mark G; Cox, Roy; Hämäläinen, Matti; Jones, Matthew W; Stickgold, Robert; Manoach, Dara S

2017-01-01

Schizophrenia patients have correlated deficits in sleep spindle density and sleep-dependent memory consolidation. In addition to spindle density, memory consolidation is thought to rely on the precise temporal coordination of spindles with slow waves (SWs). We investigated whether this coordination is intact in schizophrenia and its relation to motor procedural memory consolidation. Twenty-one chronic medicated schizophrenia patients and 17 demographically matched healthy controls underwent two nights of polysomnography, with training on the finger tapping motor sequence task (MST) on the second night and testing the following morning. We detected SWs (0.5-4 Hz) and spindles during non-rapid eye movement (NREM) sleep. We measured SW-spindle phase-amplitude coupling and its relation with overnight improvement in MST performance. Patients did not differ from controls in the timing of SW-spindle coupling. In both the groups, spindles peaked during the SW upstate. For patients alone, the later in the SW upstate that spindles peaked and the more reliable this phase relationship, the greater the overnight MST improvement. Regression models that included both spindle density and SW-spindle coordination predicted overnight improvement significantly better than either parameter alone, suggesting that both contribute to memory consolidation. Schizophrenia patients show intact spindle-SW temporal coordination, and these timing relationships, together with spindle density, predict sleep-dependent memory consolidation. These relations were seen only in patients suggesting that their memory is more dependent on optimal spindle-SW timing, possibly due to reduced spindle density. Interventions to improve memory may need to increase spindle density while preserving or enhancing the coordination of NREM oscillations. © Sleep Research Society 2016. Published by Oxford University Press on behalf of the Sleep Research Society. All rights reserved. For permissions, please e-mail journals.permissions@oup.com.

Co-variation of fatigue and psychobiological stress in couples' everyday life.

PubMed

Doerr, Johanna M; Nater, Urs M; Ehlert, Ulrike; Ditzen, Beate

2018-06-01

There is limited knowledge about how fatigue develops and worsens and what influences fluctuations in daily fatigue. Stress was found to influence fatigue, and being in a relationship seems to either increase or decrease stress depending on the couple interaction. In this study, co-variation of fatigue, self-reported stress, and biological stress markers in couples' everyday lives was investigated. Specifically, we examined a) whether momentary couple interactions moderated dyadic outcomes and b) whether and how stress and relationship measures influenced individual momentary fatigue. Forty heterosexual couples (age: 28 ± 5 years) reported subjective fatigue and stress levels 4 times a day for 5 consecutive days (1600 measures). Furthermore, participants reported whether they had interacted with their partner since the last data entry and, if so, they rated the valence of this interaction. Salivary cortisol (a measure of HPA axis activity) and alpha amylase (a measure of ANS activity) were analyzed as biological stress markers from saliva samples obtained at the same time points. Moment-to-moment data were analyzed using dyadic multilevel models to account for the nested design. Stress (women and men: p ≤ 0.001) and fatigue (women: p = .003, men: p = .020) showed patterns of co-variation within couples, especially if partners had interacted with each other since the previous data entry. Cortisol was also found to co-vary between partners (women: unstandardized coefficient (UC) = 0.12, p ≤ .001, men: UC = 0.18, p ≤ .001), whereas the regulation of alpha-amylase levels depending on the partner's levels was only present in women (UC = 0.11, p = .002). Valence of couple interaction was negatively associated with fatigue (women: UC = -0.13, p ≤ .001, men: UC = -0.06, p = .011). There was no momentary association of fatigue with an individual's own or the partner's subjective or biological stress markers. Fatigue and stress levels during the day seem to co-vary within couples. These associations were particularly strong when the partners had interacted with each other since the last measurement. These data underline the importance of social factors in fatigue and stress in everyday life. Copyright © 2018 Elsevier Ltd. All rights reserved.

A new technique for observationally derived boundary conditions for space weather

NASA Astrophysics Data System (ADS)

Pagano, Paolo; Mackay, Duncan Hendry; Yeates, Anthony Robinson

2018-04-01

Context. In recent years, space weather research has focused on developing modelling techniques to predict the arrival time and properties of coronal mass ejections (CMEs) at the Earth. The aim of this paper is to propose a new modelling technique suitable for the next generation of Space Weather predictive tools that is both efficient and accurate. The aim of the new approach is to provide interplanetary space weather forecasting models with accurate time dependent boundary conditions of erupting magnetic flux ropes in the upper solar corona. Methods: To produce boundary conditions, we couple two different modelling techniques, MHD simulations and a quasi-static non-potential evolution model. Both are applied on a spatial domain that covers the entire solar surface, although they extend over a different radial distance. The non-potential model uses a time series of observed synoptic magnetograms to drive the non-potential quasi-static evolution of the coronal magnetic field. This allows us to follow the formation and loss of equilibrium of magnetic flux ropes. Following this a MHD simulation captures the dynamic evolution of the erupting flux rope, when it is ejected into interplanetary space. Results.The present paper focuses on the MHD simulations that follow the ejection of magnetic flux ropes to 4 R⊙. We first propose a technique for specifying the pre-eruptive plasma properties in the corona. Next, time dependent MHD simulations describe the ejection of two magnetic flux ropes, that produce time dependent boundary conditions for the magnetic field and plasma at 4 R⊙ that in future may be applied to interplanetary space weather prediction models. Conclusions: In the present paper, we show that the dual use of quasi-static non-potential magnetic field simulations and full time dependent MHD simulations can produce realistic inhomogeneous boundary conditions for space weather forecasting tools. Before a fully operational model can be produced there are a number of technical and scientific challenges that still need to be addressed. Nevertheless, we illustrate that coupling quasi-static and MHD simulations in this way can significantly reduce the computational time required to produce realistic space weather boundary conditions.

Adaptive Finite Element Methods for Continuum Damage Modeling

NASA Technical Reports Server (NTRS)

Min, J. B.; Tworzydlo, W. W.; Xiques, K. E.

1995-01-01

The paper presents an application of adaptive finite element methods to the modeling of low-cycle continuum damage and life prediction of high-temperature components. The major objective is to provide automated and accurate modeling of damaged zones through adaptive mesh refinement and adaptive time-stepping methods. The damage modeling methodology is implemented in an usual way by embedding damage evolution in the transient nonlinear solution of elasto-viscoplastic deformation problems. This nonlinear boundary-value problem is discretized by adaptive finite element methods. The automated h-adaptive mesh refinements are driven by error indicators, based on selected principal variables in the problem (stresses, non-elastic strains, damage, etc.). In the time domain, adaptive time-stepping is used, combined with a predictor-corrector time marching algorithm. The time selection is controlled by required time accuracy. In order to take into account strong temperature dependency of material parameters, the nonlinear structural solution a coupled with thermal analyses (one-way coupling). Several test examples illustrate the importance and benefits of adaptive mesh refinements in accurate prediction of damage levels and failure time.

Time- & Load-Dependence of Triboelectric Effect.

PubMed

Pan, Shuaihang; Yin, Nian; Zhang, Zhinan

2018-02-06

Time- and load-dependent friction behavior is considered as important for a long time, due to its time-evolution and force-driving characteristics. However, its electronic behavior, mainly considered in triboelectric effect, has almost never been given the full attention and analyses from the above point of view. In this paper, by experimenting with fcc-latticed aluminum and copper friction pairs, the mechanical and electronic behaviors of friction contacts are correlated by time and load analyses, and the behind physical understanding is provided. Most importantly, the difference of "response lag" in force and electricity is discussed, the extreme points of coefficient of friction with the increasing normal loads are observed and explained with the surface properties and dynamical behaviors (i.e. wear), and the micro and macro theories linking tribo-electricity to normal load and wear (i.e. the physical explanation between coupled electrical and mechanical phenomena) are successfully developed and tested.

Synchronization of coupled different chaotic FitzHugh-Nagumo neurons with unknown parameters under communication-direction-dependent coupling.

PubMed

Iqbal, Muhammad; Rehan, Muhammad; Khaliq, Abdul; Saeed-ur-Rehman; Hong, Keum-Shik

2014-01-01

This paper investigates the chaotic behavior and synchronization of two different coupled chaotic FitzHugh-Nagumo (FHN) neurons with unknown parameters under external electrical stimulation (EES). The coupled FHN neurons of different parameters admit unidirectional and bidirectional gap junctions in the medium between them. Dynamical properties, such as the increase in synchronization error as a consequence of the deviation of neuronal parameters for unlike neurons, the effect of difference in coupling strengths caused by the unidirectional gap junctions, and the impact of large time-delay due to separation of neurons, are studied in exploring the behavior of the coupled system. A novel integral-based nonlinear adaptive control scheme, to cope with the infeasibility of the recovery variable, for synchronization of two coupled delayed chaotic FHN neurons of different and unknown parameters under uncertain EES is derived. Further, to guarantee robust synchronization of different neurons against disturbances, the proposed control methodology is modified to achieve the uniformly ultimately bounded synchronization. The parametric estimation errors can be reduced by selecting suitable control parameters. The effectiveness of the proposed control scheme is illustrated via numerical simulations.

An analysis of the surface-normal coupling efficiency of a metal grating coupler embedded in a Scotch tape optical waveguide

NASA Astrophysics Data System (ADS)

Barrios, Carlos Angulo; Canalejas-Tejero, Víctor

2017-01-01

The coupling efficiency at normal incidence of recently demonstrated aluminum grating couplers integrated in flexible Scotch tape waveguides has been analyzed theoretically and experimentally. Finite difference time domain (FDTD) and rigorously coupled wave analysis (RCWA) methods have been used to optimize the dimensions (duty cycle and metal thickness) of Scotch tape-embedded 1D Al gratings for maximum coupling at 635 nm wavelength. Good dimension and tape refractive index tolerances are predicted. FDTD simulations reveal the incident beam width and impinging position (alignment) values that avoid rediffraction and thus maximize the coupling efficiency. A 1D Al diffraction grating integrated into a Scotch tape optical waveguide has been fabricated and characterized. The fabrication process, based on pattern transfer, has been optimized to allow complete Al grating transfer onto the Scotch tape waveguide. A maximum coupling efficiency of 20% for TM-polarized normal incidence has been measured, which is in good agreement with the theoretical predictions. The measured coupling efficiency is further increased up to 28% for TM polarization under oblique incidence. Temperature dependence measurements have been also achieved and related to the simulations results and fabrication procedure.

A New MRI-Based Model of Heart Function with Coupled Hemodynamics and Application to Normal and Diseased Canine Left Ventricles

PubMed Central

Choi, Young Joon; Constantino, Jason; Vedula, Vijay; Trayanova, Natalia; Mittal, Rajat

2015-01-01

A methodology for the simulation of heart function that combines an MRI-based model of cardiac electromechanics (CE) with a Navier–Stokes-based hemodynamics model is presented. The CE model consists of two coupled components that simulate the electrical and the mechanical functions of the heart. Accurate representations of ventricular geometry and fiber orientations are constructed from the structural magnetic resonance and the diffusion tensor MR images, respectively. The deformation of the ventricle obtained from the electromechanical model serves as input to the hemodynamics model in this one-way coupled approach via imposed kinematic wall velocity boundary conditions and at the same time, governs the blood flow into and out of the ventricular volume. The time-dependent endocardial surfaces are registered using a diffeomorphic mapping algorithm, while the intraventricular blood flow patterns are simulated using a sharp-interface immersed boundary method-based flow solver. The utility of the combined heart-function model is demonstrated by comparing the hemodynamic characteristics of a normal canine heart beating in sinus rhythm against that of the dyssynchronously beating failing heart. We also discuss the potential of coupled CE and hemodynamics models for various clinical applications. PMID:26442254

Strong enhancement of emission efficiency in GaN light-emitting diodes by plasmon-coupled light amplification of graphene

NASA Astrophysics Data System (ADS)

Kim, Jong Min; Kim, Sung; Hwang, Sung Won; Kim, Chang Oh; Shin, Dong Hee; Kim, Ju Hwan; Jang, Chan Wook; Kang, Soo Seok; Hwang, Euyheon; Choi, Suk-Ho; El-Gohary, Sherif H.; Byun, Kyung Min

2018-02-01

Recently, we have demonstrated that excitation of plasmon-polaritons in a mechanically-derived graphene sheet on the top of a ZnO semiconductor considerably enhances its light emission efficiency. If this scheme is also applied to device structures, it is then expected that the energy efficiency of light-emitting diodes (LEDs) increases substantially and the commercial potential will be enormous. Here, we report that the plasmon-induced light coupling amplifies emitted light by ˜1.6 times in doped large-area chemical-vapor-deposition-grown graphene, which is useful for practical applications. This coupling behavior also appears in GaN-based LEDs. With AuCl3-doped graphene on Ga-doped ZnO films that is used as transparent conducting electrodes for the LEDs, the average electroluminescence intensity is 1.2-1.7 times enhanced depending on the injection current. The chemical doping of graphene may produce the inhomogeneity in charge densities (i.e., electron/hole puddles) or roughness, which can play a role as grating couplers, resulting in such strong plasmon-enhanced light amplification. Based on theoretical calculations, the plasmon-coupled behavior is rigorously explained and a method of controlling its resonance condition is proposed.

Complete geometric computer simulation of a classical guitar

NASA Astrophysics Data System (ADS)

Bader, Rolf

2005-04-01

The aim of formulating a complete model of a classical guitar body as a transient-time geometry is to get detailed insight into the vibrating and coupling behavior of the time-dependent guitar system. Here, especially the evolution of the guitars initial transient can be looked at with great detail and the produced sounds from this computer implementation can be listened to. Therefore, a stand-alone software was developed to build, calculate, and visualize the guitar. The model splits the guitar body into top plate, back plate, ribs, neck, inclosed air, and strings and couples these parts together including the coupling of bending waves and in-plane waves of these plates to serve for a better understanding of the coupling between the guitar parts and between these two kinds of waves. The resulting waveforms are integrated over the geometry and the resulting sounds show up the different roles and contributions of the different guitar body parts to the guitar sound. Here cooperation with guitar makers is established, as changes on the guitars geometry on the resulting sound can be considered as computer simulation and promising new sound qualities can then be used again in real instrument production.

Fully gapped superconductivity in single crystals of noncentrosymmetric Re6Zr with broken time-reversal symmetry

NASA Astrophysics Data System (ADS)

Pang, G. M.; Nie, Z. Y.; Wang, A.; Singh, D.; Xie, W.; Jiang, W. B.; Chen, Y.; Singh, R. P.; Smidman, M.; Yuan, H. Q.

2018-06-01

The noncentrosymmetric superconductor Re6Zr has attracted much interest due to the observation of broken time-reversal symmetry in the superconducting state. Here we report an investigation of the superconducting gap structure of Re6Zr single crystals by measuring the magnetic penetration depth shift Δ λ (T ) and electronic specific heat Ce(T ) . Δ λ (T ) exhibits an exponential temperature dependence behavior for T ≪Tc , which indicates a fully open superconducting gap. Our analysis shows that a single gap s -wave model is sufficient to describe both the superfluid density ρs(T ) and Ce(T ) results, with a fitted gap magnitude larger than the weak coupling BCS value, providing evidence for fully gapped superconductivity in Re6Zr with moderate coupling.

Synchronization in dynamical networks with unconstrained structure switching

NASA Astrophysics Data System (ADS)

del Genio, Charo I.; Romance, Miguel; Criado, Regino; Boccaletti, Stefano

2015-12-01

We provide a rigorous solution to the problem of constructing a structural evolution for a network of coupled identical dynamical units that switches between specified topologies without constraints on their structure. The evolution of the structure is determined indirectly from a carefully built transformation of the eigenvector matrices of the coupling Laplacians, which are guaranteed to change smoothly in time. In turn, this allows one to extend the master stability function formalism, which can be used to assess the stability of a synchronized state. This approach is independent from the particular topologies that the network visits, and is not restricted to commuting structures. Also, it does not depend on the time scale of the evolution, which can be faster than, comparable to, or even secular with respect to the dynamics of the units.

Redefining the Axion Window

NASA Astrophysics Data System (ADS)

Di Luzio, Luca; Mescia, Federico; Nardi, Enrico

2017-01-01

A major goal of axion searches is to reach inside the parameter space region of realistic axion models. Currently, the boundaries of this region depend on somewhat arbitrary criteria, and it would be desirable to specify them in terms of precise phenomenological requirements. We consider hadronic axion models and classify the representations RQ of the new heavy quarks Q . By requiring that (i) the Q 's are sufficiently short lived to avoid issues with long-lived strongly interacting relics, (ii) no Landau poles are induced below the Planck scale; 15 cases are selected which define a phenomenologically preferred axion window bounded by a maximum (minimum) value of the axion-photon coupling about 2 times (4 times) larger than is commonly assumed. Allowing for more than one RQ, larger couplings, as well as complete axion-photon decoupling, become possible.

Mechanical coupling limits the density and quality of self-organized carbon nanotube growth

NASA Astrophysics Data System (ADS)

Bedewy, Mostafa; Hart, A. John

2013-03-01

Aligned carbon nanotube (CNT) structures are promising for many applications; however, as-grown CNT "forests" synthesized by chemical vapor deposition (CVD) are typically low-density and mostly comprise tortuous defective CNTs. Here, we present evidence that the density and alignment of self-organized CNT growth is limited by mechanical coupling among CNTs in contact, in combination with their diameter-dependent growth rates. This study is enabled by comprehensive X-ray characterization of the spatially and temporally-varying internal morphology of CNT forests. Based on this data, we model the time evolution and diameter-dependent scaling of the ensuing mechanical forces on catalyst nanoparticles during CNT growth, which arise from the mismatch between the collective lengthening rate of the forest and the diameter-dependent growth rates of individual CNTs. In addition to enabling self-organization of CNTs into forests, time-varying forces between CNTs in contact dictate the hierarchical tortuous morphology of CNT forests, and may be sufficient to influence the structural quality of CNTs. These forces reach a maximum that is coincident with the maximum density observed in our growth process, and are proportional to CNT diameter. Therefore, we propose that improved manufacturing strategies for self-organized CNTs should consider both chemical and mechanical effects. This may be especially necessary to achieve high density CNT forests with low defect density, such as for improved thermal interfaces and high-permeability membranes.Aligned carbon nanotube (CNT) structures are promising for many applications; however, as-grown CNT "forests" synthesized by chemical vapor deposition (CVD) are typically low-density and mostly comprise tortuous defective CNTs. Here, we present evidence that the density and alignment of self-organized CNT growth is limited by mechanical coupling among CNTs in contact, in combination with their diameter-dependent growth rates. This study is enabled by comprehensive X-ray characterization of the spatially and temporally-varying internal morphology of CNT forests. Based on this data, we model the time evolution and diameter-dependent scaling of the ensuing mechanical forces on catalyst nanoparticles during CNT growth, which arise from the mismatch between the collective lengthening rate of the forest and the diameter-dependent growth rates of individual CNTs. In addition to enabling self-organization of CNTs into forests, time-varying forces between CNTs in contact dictate the hierarchical tortuous morphology of CNT forests, and may be sufficient to influence the structural quality of CNTs. These forces reach a maximum that is coincident with the maximum density observed in our growth process, and are proportional to CNT diameter. Therefore, we propose that improved manufacturing strategies for self-organized CNTs should consider both chemical and mechanical effects. This may be especially necessary to achieve high density CNT forests with low defect density, such as for improved thermal interfaces and high-permeability membranes. Electronic supplementary information (ESI) available: Detailed description of the cold-wall CVD reactor used for growing CNTs; fitting the diameter-dependent model-predicted CNT growth kinetics; time evolution of compressive stresses as a function of CNT diameter; time evolution of the diameter dependent variations in CNT number density; cumulative forest mass kinetics normalized to the number of CNTs. See DOI: 10.1039/c3nr34067h

A generic signature of a fluctuating magnetic field: An additional turnover prior to the Kramers' one

NASA Astrophysics Data System (ADS)

Mondal, Shrabani; Baura, Alendu; Das, Sudip; Bag, Bidhan Chandra

2018-07-01

In this paper we have presented the dynamics of a Brownian particle which is coupled to a thermal bath in the presence of a fluctuating magnetic field (FMF). By virtue of the FMF the Brownian particle experiences a time dependent damping strength for the x -direction motion even in the presence of a stationary Markovian thermal bath. There is a transition state along this direction. The time dependent damping strength leads to appear a bi-turnover phenomenon in the variation of the barrier crossing rate as a function of the thermal bath induced damping strength. It is a generic signature of the fluctuating magnetic field.

Nanolaminate microfluidic device for mobility selection of particles

DOEpatents

Surh, Michael P [Livermore, CA; Wilson, William D [Pleasanton, CA; Barbee, Jr., Troy W.; Lane, Stephen M [Oakland, CA

2006-10-10

A microfluidic device made from nanolaminate materials that are capable of electrophoretic selection of particles on the basis of their mobility. Nanolaminate materials are generally alternating layers of two materials (one conducting, one insulating) that are made by sputter coating a flat substrate with a large number of layers. Specific subsets of the conducting layers are coupled together to form a single, extended electrode, interleaved with other similar electrodes. Thereby, the subsets of conducting layers may be dynamically charged to create time-dependent potential fields that can trap or transport charge colloidal particles. The addition of time-dependence is applicable to all geometries of nanolaminate electrophoretic and electrochemical designs from sinusoidal to nearly step-like.

How sensitive is Hawking radiation to superluminal dispersion relations?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jannes, G.; Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid; Barcelo, C.

2009-05-01

We discuss the Hawking radiation process in a collapse scenario with superluminal dispersion relations. Due to these superluminal modifications, the horizon effectively becomes frequency-dependent. At every moment of the collapse, a critical frequency can be calculated such that frequencies higher than this critical frequency do not couple to the collapsing geometry and hence do not see any horizon. We discuss three important consequences. First, the late-time radiation in general has a lower intensity than in the standard Hawking picture. Second, the thermal output spectrum depends on the surface gravity, thereby effectively exploring the physics inside the black hole. Third, themore » radiation dies off as time advances.« less

Integrated Structural/Acoustic Modeling of Heterogeneous Panels

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett, A.; Aboudi, Jacob; Arnold, Steven, M.; Pennline, James, A.

2012-01-01

A model for the dynamic response of heterogeneous media is presented. A given medium is discretized into a number of subvolumes, each of which may contain an elastic anisotropic material, void, or fluid, and time-dependent boundary conditions are applied to simulate impact or incident pressure waves. The full time-dependent displacement and stress response throughout the medium is then determined via an explicit solution procedure. The model is applied to simulate the coupled structural/acoustic response of foam core sandwich panels as well as aluminum panels with foam inserts. Emphasis is placed on the acoustic absorption performance of the panels versus weight and the effects of the arrangement of the materials and incident wave frequency.

Structure of supersonic jet flow and its radiated sound

NASA Technical Reports Server (NTRS)

Mankbadi, Reda R.; Hayer, M. Ehtesham; Povinelli, Louis A.

1994-01-01

The present paper explores the use of large-eddy simulations as a tool for predicting noise from first principles. A high-order numerical scheme is used to perform large-eddy simulations of a supersonic jet flow with emphasis on capturing the time-dependent flow structure representating the sound source. The wavelike nature of this structure under random inflow disturbances is demonstrated. This wavelike structure is then enhanced by taking the inflow disturbances to be purely harmonic. Application of Lighthill's theory to calculate the far-field noise, with the sound source obtained from the calculated time-dependent near field, is demonstrated. Alternative approaches to coupling the near-field sound source to the far-field sound are discussed.

Shapes matter: examining the optical response evolution in stretched aluminium nanoparticles via time-dependent density functional theory.

PubMed

Mokkath, Junais Habeeb

2017-12-20

Using first-principles time-dependent density functional theory calculations, we investigate the shape-anisotropy effects on the optical response of a spherical aluminium nanoparticle subjected to a stretching process in different directions. Progressively increased stretching in one direction resulted in prolate spheroid (nanorice) geometries and produced a couple of well-distinguishable dominant peaks together with some satellite peaks in the UV-visible region of the electromagnetic spectrum. On the other hand, progressively increased stretching in two directions caused multiple peaks to appear in the UV-visible region of the electromagnetic spectrum. We believe that our findings can be beneficial for the emerging and potentially far-reaching field of aluminum plasmonics.

Bursty Precipitation Driven by Chorus Waves

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Telnikhin, A. A.; Kronberg, T. K.

2011-01-01

The electron precipitation bursts have been shown to be a major sink for the radiation belt relativistic electrons. As underlying mechanism of such bursts, we propose particle scattering into the loss cone due to nonlinear resonance interaction between electrons and chorus. Stochastic heating due to the coupling leads to diffusion in pitch angle, and the rate of diffusion would be sufficient to account for the emptying of the Earth's radiation belt over the time of the main phase of geomagnetic storms. The results obtained in the present paper account for a strong energy dependence in the electron precipitation event and the correlation between the energization and loss processes on macroscopic timescales, which is primarily attributed to the cooperative effects of the coupling. This mechanism of chorus scattering should produce pitch angle distributions that are energy-dependent and butterfly-shaped. The calculated timescales and the total energy input to the atmosphere from precipitating relativistic electrons are in reasonable agreement with experimental data.

Wavelength-dependent optical enhancement of superconducting interlayer coupling in La 1.885Ba 0.115CuO 4

DOE PAGES

Casandruc, E.; Nicoletti, D.; Rajasekaran, S.; ...

2015-05-05

We analyze the pump wavelength dependence for the photo-induced enhancement of interlayer coupling in La 1.885Ba 0.115CuO 4, which is promoted by optical melting of the stripe order. In the equilibrium superconducting state (T < TC = 13 K), in which stripes and superconductivity coexist, time-domain THz spectroscopy reveals a photo-induced blue-shift of the Josephson Plasma Resonance after excitation with optical pulses polarized perpendicular to the CuO2 planes. In the striped, non-superconducting state (TC < T < TSO ≃ 40 K) a transient plasma resonance similar to that seen below TC appears from a featureless equilibrium reflectivity. Most strikingly, bothmore » these effects become stronger upon tuning of the pump wavelength from the mid-infrared to the visible, underscoring an unconventional competition between stripe order and superconductivity, which occurs on energy scales far above the ordering temperature.« less

Linear entropy and collapse–revival phenomenon for a general formalism N-type four-level atom interacting with a single-mode field

NASA Astrophysics Data System (ADS)

Eied, A. A.

2018-05-01

In this paper, the linear entropy and collapse-revival phenomenon through the relation (< {\\hat{a}}+{\\hat{a}} > -{\\bar{n}}) in a system of N-configuration four-level atom interacting with a single-mode field with additional forms of nonlinearities of both the field and the intensity-dependent atom-field coupling functional are investigated. A factorization of the initial density operator is assumed, considering the field to be initially in a squeezed coherent states and the atom initially in its most upper excited state. The dynamical behavior of the linear entropy and the time evolution of (< {\\hat{a}}+ {\\hat{a}} > -{\\bar{n}}) are analyzed. In particular, the effects of the mean photon number, detuning, Kerr-like medium and the intensity-dependent coupling functional on the entropy and the evolution of (< {\\hat{a}}+ {\\hat{a}} > -{\\bar{n}}) are examined.

Novel time-dependent vascular actions of {delta}{sup 9}-tetrahydrocannabinol mediated by peroxisome proliferator-activated receptor gamma

DOE Office of Scientific and Technical Information (OSTI.GOV)

O'Sullivan, Saoirse E.; Tarling, Elizabeth J.; Bennett, Andrew J.

Cannabinoids have widespread effects on the cardiovascular system, only some of which are mediated via G-protein-coupled cell surface receptors. The active ingredient of cannabis, {delta}{sup 9}-tetrahydrocannabinol (THC), causes acute vasorelaxation in various arteries. Here we show for the first time that THC also causes slowly developing vasorelaxation through activation of peroxisome proliferator-activated receptors gamma (PPAR{gamma}). In vitro, THC (10 {mu}M) caused time-dependent vasorelaxation of rat isolated arteries. Time-dependent vasorelaxation to THC was similar to that produced by the PPAR{gamma} agonist rosiglitazone and was inhibited by the PPAR{gamma} antagonist GW9662 (1 {mu}M), but not the cannabinoid CB{sub 1} receptor antagonist AM251more » (1 {mu}M). Time-dependent vasorelaxation to THC requires an intact endothelium, nitric oxide, production of hydrogen peroxide, and de novo protein synthesis. In transactivation assays in cultured HEK293 cells, THC-activated PPAR{gamma}, transiently expressed in combination with retinoid X receptor {alpha} and a luciferase reporter gene, in a concentration-dependent manner (100 nM-10 {mu}M). In vitro incubation with THC (1 or 10 {mu}M, 8 days) stimulated adipocyte differentiation in cultured 3T3L1 cells, a well-accepted property of PPAR{gamma} ligands. The present results provide strong evidence that THC is a PPAR{gamma} ligand, stimulation of which causes time-dependent vasorelaxation, implying some of the pleiotropic effects of cannabis may be mediated by nuclear receptors.« less

Negative index of refraction in a four-level system with magnetoelectric cross coupling and local field corrections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bello, F.

2011-07-15

This research focuses on a coherently driven four-level atomic medium with the aim of inducing a negative index of refraction while taking into consideration local field corrections as well as magnetoelectric cross coupling (i.e.,chirality) within the material's response functions. Two control fields are used to render the medium transparent for a probe field which simultaneously couples to an electric and a magnetic dipole transition, thus allowing one to test the permittivity and permeability of the material at the same time. Numerical simulations show that a negative index of refraction with low absorption can be obtained for a range of probemore » detunings while depending on number density and the ratio between the intensities of the control fields.« less

Vibronic coupling simulations for linear and nonlinear optical processes: Simulation results

NASA Astrophysics Data System (ADS)

Silverstein, Daniel W.; Jensen, Lasse

2012-02-01

A vibronic coupling model based on time-dependent wavepacket approach is applied to simulate linear optical processes, such as one-photon absorbance and resonance Raman scattering, and nonlinear optical processes, such as two-photon absorbance and resonance hyper-Raman scattering, on a series of small molecules. Simulations employing both the long-range corrected approach in density functional theory and coupled cluster are compared and also examined based on available experimental data. Although many of the small molecules are prone to anharmonicity in their potential energy surfaces, the harmonic approach performs adequately. A detailed discussion of the non-Condon effects is illustrated by the molecules presented in this work. Linear and nonlinear Raman scattering simulations allow for the quantification of interference between the Franck-Condon and Herzberg-Teller terms for different molecules.

Gap solitons in PT-symmetric optical lattices with higher-order diffraction.

PubMed

Ge, Lijuan; Shen, Ming; Ma, Chunlan; Zang, Taocheng; Dai, Lu

2014-12-01

The existence and stability of gap solitons are investigated in the semi-infinite gap of a parity-time (PT)-symmetric periodic potential (optical lattice) with a higher-order diffraction. The Bloch bands and band gaps of this PT-symmetric optical lattice depend crucially on the coupling constant of the fourth-order diffraction, whereas the phase transition point of this PT optical lattice remains unchangeable. The fourth-order diffraction plays a significant role in destabilizing the propagation of dipole solitons. Specifically, when the fourth-order diffraction coupling constant increases, the stable region of the dipole solitons shrinks as new regions of instability appear. However, fundamental solitons are found to be always linearly stable with arbitrary positive value of the coupling constant. We also investigate nonlinear evolution of the PT solitons under perturbation.

Entanglement dynamics following a sudden quench: An exact solution

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo; Gupta, Kumar S.; Srivastava, Shashi C. L.

2017-12-01

We present an exact and fully analytical treatment of the entanglement dynamics for an isolated system of N coupled oscillators following a sudden quench of the system parameters. The system is analyzed using the solutions of the time-dependent Schrodinger's equation, which are obtained by solving the corresponding nonlinear Ermakov equations. The entanglement entropies exhibit a multi-oscillatory behaviour, where the number of dynamically generated time scales increases with N. The harmonic chains exhibit entanglement revival and for larger values of N (> 10), we find near-critical logarithmic scaling for the entanglement entropy, which is modulated by a time-dependent factor. The N = 2 case is equivalent to the two-site Bose-Hubbard model in the tunneling regime, which is amenable to empirical realization in cold-atom systems.

Quantum transfer energy in the framework of time-dependent dipole-dipole interaction

NASA Astrophysics Data System (ADS)

El-Shishtawy, Reda M.; Haddon, Robert C.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.; Berrada, K.; Abdel-Khalek, S.; Al-Hadeethi, Yas F.

2018-03-01

In this work, we examine the process of the quantum transfer of energy considering time-dependent dipole-dipole interaction in a dimer system characterized by two-level atom systems. By taking into account the effect of the acceleration and speed of the atoms in the dimer coupling, we demonstrate that the improvement of the probability for a single-excitation transfer energy extremely benefits from the incorporation of atomic motion effectiveness and the energy detuning. We explore the relevance between the population and entanglement during the time-evolution and show that this kind of nonlocal correlation may be generated during the process of the transfer of energy. Our work may provide optimal conditions to implement realistic experimental scenario in the transfer of the quantum energy.

Wideband helicity dependent spoof surface plasmon polaritons coupling metasurface based on dispersion design.

PubMed

Dong, Guoxiang; Shi, Hongyu; He, Yuchen; Zhang, Anxue; Wei, Xiaoyong; Zhuang, Yongyong; Du, Bai; Xia, Song; Xu, Zhuo

2016-12-06

The surface plasmon polaritons (SPPs) have many potential application due to their local field enhancement and sub-wavelength characteristics. Recently, the gradient metasurface is introduced to couple the spoof SPPs in microwave frequency band. One of the most important issue which should be solved is the narrowband of spoof SPPs coupling on the gradient metasurface. Here, the metasurface is proposed to achieve the wideband helicity dependent directional spoof SPPs coupling for circular polarized light. Our research show that the coupling frequency of spoof SPPs on the gradient metasurface is determined by the dispersion of the metasurface, so the coupling frequency can be controlled by dispersion design. The careful design of each cell geometric parameters has provided many appropriate dispersion relations possessed by just one metasurface. The wave vector matching between the propagating wave and the spoof SPPs has been achieved at several frequencies for certain wave vector provided by the metasurface, which leads to wideband spoof SPPs coupling. This work has shown that wideband helicity dependent directional spoof SPPs coupling has been achieved with a high efficiency. Hence, the proposed wideband spoof SPPs coupling presents the improvement in practice applications.

Wideband helicity dependent spoof surface plasmon polaritons coupling metasurface based on dispersion design

PubMed Central

Dong, Guoxiang; Shi, Hongyu; He, Yuchen; Zhang, Anxue; Wei, Xiaoyong; Zhuang, Yongyong; Du, Bai; Xia, Song; Xu, Zhuo

2016-01-01

The surface plasmon polaritons (SPPs) have many potential application due to their local field enhancement and sub-wavelength characteristics. Recently, the gradient metasurface is introduced to couple the spoof SPPs in microwave frequency band. One of the most important issue which should be solved is the narrowband of spoof SPPs coupling on the gradient metasurface. Here, the metasurface is proposed to achieve the wideband helicity dependent directional spoof SPPs coupling for circular polarized light. Our research show that the coupling frequency of spoof SPPs on the gradient metasurface is determined by the dispersion of the metasurface, so the coupling frequency can be controlled by dispersion design. The careful design of each cell geometric parameters has provided many appropriate dispersion relations possessed by just one metasurface. The wave vector matching between the propagating wave and the spoof SPPs has been achieved at several frequencies for certain wave vector provided by the metasurface, which leads to wideband spoof SPPs coupling. This work has shown that wideband helicity dependent directional spoof SPPs coupling has been achieved with a high efficiency. Hence, the proposed wideband spoof SPPs coupling presents the improvement in practice applications. PMID:27922132

The Indeterminate Case of Classical Static Friction When Coupled with Tension

ERIC Educational Resources Information Center

Hahn, Kenneth D.; Russell, Jacob M.

2018-01-01

It has been noted that the static friction force poses challenges for students and, at times, even their instructors. Unlike the gravitational force, which has a precise and unambiguous magnitude (F[subscript G] = mg), the magnitude and direction of the static friction force depend on other forces at play. Friction can be understood rather well in…

New Rapid Evaluation for Long-Term Behavior in Deep Geological Repository by Geotechnical Centrifuge—Part 2: Numerical Simulation of Model Tests in Isothermal Condition

NASA Astrophysics Data System (ADS)

Sawada, Masataka; Nishimoto, Soshi; Okada, Tetsuji

2017-01-01

In high-level radioactive waste disposal repositories, there are long-term complex thermal, hydraulic, and mechanical (T-H-M) phenomena that involve the generation of heat from the waste, the infiltration of ground water, and swelling of the bentonite buffer. The ability to model such coupled phenomena is of particular importance to the repository design and assessments of its safety. We have developed a T-H-M-coupled analysis program that evaluates the long-term behavior around the repository (called "near-field"). We have also conducted centrifugal model tests that model the long-term T-H-M-coupled behavior in the near-field. In this study, we conduct H-M-coupled numerical simulations of the centrifugal near-field model tests. We compare numerical results with each other and with results obtained from the centrifugal model tests. From the comparison, we deduce that: (1) in the numerical simulation, water infiltration in the rock mass was in agreement with the experimental observation. (2) The constant-stress boundary condition in the centrifugal model tests may cause a larger expansion of the rock mass than in the in situ condition, but the mechanical boundary condition did not affect the buffer behavior in the deposition hole. (3) The numerical simulation broadly reproduced the measured bentonite pressure and the overpack displacement, but did not reproduce the decreasing trend of the bentonite pressure after 100 equivalent years. This indicates the effect of the time-dependent characteristics of the surrounding rock mass. Further investigations are needed to determine the effect of initial heterogeneity in the deposition hole and the time-dependent behavior of the surrounding rock mass.

Coupled kinetic equations for fermions and bosons in the relaxation-time approximation

NASA Astrophysics Data System (ADS)

Florkowski, Wojciech; Maksymiuk, Ewa; Ryblewski, Radoslaw

2018-02-01

Kinetic equations for fermions and bosons are solved numerically in the relaxation-time approximation for the case of one-dimensional boost-invariant geometry. Fermions are massive and carry baryon number, while bosons are massless. The conservation laws for the baryon number, energy, and momentum lead to two Landau matching conditions, which specify the coupling between the fermionic and bosonic sectors and determine the proper-time dependence of the effective temperature and baryon chemical potential of the system. The numerical results illustrate how a nonequilibrium mixture of fermions and bosons approaches hydrodynamic regime described by the Navier-Stokes equations with appropriate forms of the kinetic coefficients. The shear viscosity of a mixture is the sum of the shear viscosities of fermion and boson components, while the bulk viscosity is given by the formula known for a gas of fermions, however, with the thermodynamic variables characterising the mixture. Thus, we find that massless bosons contribute in a nontrivial way to the bulk viscosity of a mixture, provided fermions are massive. We further observe the hydrodynamization effect, which takes place earlier in the shear sector than in the bulk one. The numerical studies of the ratio of the longitudinal and transverse pressures show, to a good approximation, that it depends on the ratio of the relaxation and proper times only. This behavior is connected with the existence of an attractor solution for conformal systems.

Accelerating universe with time variation of G and Λ

NASA Astrophysics Data System (ADS)

Darabi, F.

2012-03-01

We study a gravitational model in which scale transformations play the key role in obtaining dynamical G and Λ. We take a non-scale invariant gravitational action with a cosmological constant and a gravitational coupling constant. Then, by a scale transformation, through a dilaton field, we obtain a new action containing cosmological and gravitational coupling terms which are dynamically dependent on the dilaton field with Higgs type potential. The vacuum expectation value of this dilaton field, through spontaneous symmetry breaking on the basis of anthropic principle, determines the time variations of G and Λ. The relevance of these time variations to the current acceleration of the universe, coincidence problem, Mach's cosmological coincidence and those problems of standard cosmology addressed by inflationary models, are discussed. The current acceleration of the universe is shown to be a result of phase transition from radiation toward matter dominated eras. No real coincidence problem between matter and vacuum energy densities exists in this model and this apparent coincidence together with Mach's cosmological coincidence are shown to be simple consequences of a new kind of scale factor dependence of the energy momentum density as ρ˜ a -4. This model also provides the possibility for a super fast expansion of the scale factor at very early universe by introducing exotic type matter like cosmic strings.

The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

DOE PAGES

Wang, Han; Bang, Junhyeok; Sun, Yiyang; ...

2016-05-10

Here, the success of van der Waals (vdW) heterostructures, made of graphene, metal dichalcogenides, and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that vdW heterostructues can exhibit ultra-fast charge transfer despite the weak binding of the heterostructure. Using time-dependent density functional theory molecular dynamics, we identify a strong dynamic coupling between the vdW layers associated with charge transfer. This dynamic coupling results in rapid nonlinear coherentmore » charge oscillations which constitute a purely electronic phenomenon and are shown to be a general feature of vdW heterostructures provided they have a critical minimum dipole coupling. Application to MoS2/WS2 heterostructure yields good agreement with experiment, indicating near complete charge transfer within a timescale of 100 fs.The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the interface. Application to the MoS2/WS2 heterostructure yields good agreement with experiments, indicating near complete charge transfer within a timescale of 100 fs.« less

The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Han; Bang, Junhyeok; Sun, Yiyang

Here, the success of van der Waals (vdW) heterostructures, made of graphene, metal dichalcogenides, and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that vdW heterostructues can exhibit ultra-fast charge transfer despite the weak binding of the heterostructure. Using time-dependent density functional theory molecular dynamics, we identify a strong dynamic coupling between the vdW layers associated with charge transfer. This dynamic coupling results in rapid nonlinear coherentmore » charge oscillations which constitute a purely electronic phenomenon and are shown to be a general feature of vdW heterostructures provided they have a critical minimum dipole coupling. Application to MoS2/WS2 heterostructure yields good agreement with experiment, indicating near complete charge transfer within a timescale of 100 fs.The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the interface. Application to the MoS2/WS2 heterostructure yields good agreement with experiments, indicating near complete charge transfer within a timescale of 100 fs.« less

Dynamical coupling between magnetic equilibrium and transport in tokamak scenario modelling, with application to current ramps

NASA Astrophysics Data System (ADS)

Fable, E.; Angioni, C.; Ivanov, A. A.; Lackner, K.; Maj, O.; Medvedev, S. Yu; Pautasso, G.; Pereverzev, G. V.; Treutterer, W.; the ASDEX Upgrade Team

2013-07-01

The modelling of tokamak scenarios requires the simultaneous solution of both the time evolution of the plasma kinetic profiles and of the magnetic equilibrium. Their dynamical coupling involves additional complications, which are not present when the two physical problems are solved separately. Difficulties arise in maintaining consistency in the time evolution among quantities which appear in both the transport and the Grad-Shafranov equations, specifically the poloidal and toroidal magnetic fluxes as a function of each other and of the geometry. The required consistency can be obtained by means of iteration cycles, which are performed outside the equilibrium code and which can have different convergence properties depending on the chosen numerical scheme. When these external iterations are performed, the stability of the coupled system becomes a concern. In contrast, if these iterations are not performed, the coupled system is numerically stable, but can become physically inconsistent. By employing a novel scheme (Fable E et al 2012 Nucl. Fusion submitted), which ensures stability and physical consistency among the same quantities that appear in both the transport and magnetic equilibrium equations, a newly developed version of the ASTRA transport code (Pereverzev G V et al 1991 IPP Report 5/42), which is coupled to the SPIDER equilibrium code (Ivanov A A et al 2005 32nd EPS Conf. on Plasma Physics (Tarragona, 27 June-1 July) vol 29C (ECA) P-5.063), in both prescribed- and free-boundary modes is presented here for the first time. The ASTRA-SPIDER coupled system is then applied to the specific study of the modelling of controlled current ramp-up in ASDEX Upgrade discharges.

Thermodynamic scaling of α-relaxation time and viscosity stems from the Johari-Goldstein β-relaxation or the primitive relaxation of the coupling model.

PubMed

Ngai, K L; Habasaki, J; Prevosto, D; Capaccioli, S; Paluch, Marian

2012-07-21

By now it is well established that the structural α-relaxation time, τ(α), of non-associated small molecular and polymeric glass-formers obey thermodynamic scaling. In other words, τ(α) is a function Φ of the product variable, ρ(γ)/T, where ρ is the density and T the temperature. The constant γ as well as the function, τ(α) = Φ(ρ(γ)/T), is material dependent. Actually this dependence of τ(α) on ρ(γ)/T originates from the dependence on the same product variable of the Johari-Goldstein β-relaxation time, τ(β), or the primitive relaxation time, τ(0), of the coupling model. To support this assertion, we give evidences from various sources itemized as follows. (1) The invariance of the relation between τ(α) and τ(β) or τ(0) to widely different combinations of pressure and temperature. (2) Experimental dielectric and viscosity data of glass-forming van der Waals liquids and polymer. (3) Molecular dynamics simulations of binary Lennard-Jones (LJ) models, the Lewis-Wahnström model of ortho-terphenyl, 1,4 polybutadiene, a room temperature ionic liquid, 1-ethyl-3-methylimidazolium nitrate, and a molten salt 2Ca(NO(3))(2)·3KNO(3) (CKN). (4) Both diffusivity and structural relaxation time, as well as the breakdown of Stokes-Einstein relation in CKN obey thermodynamic scaling by ρ(γ)/T with the same γ. (5) In polymers, the chain normal mode relaxation time, τ(N), is another function of ρ(γ)/T with the same γ as segmental relaxation time τ(α). (6) While the data of τ(α) from simulations for the full LJ binary mixture obey very well the thermodynamic scaling, it is strongly violated when the LJ interaction potential is truncated beyond typical inter-particle distance, although in both cases the repulsive pair potentials coincide for some distances.

OGS#PETSc approach for robust and efficient simulations of strongly coupled hydrothermal processes in EGS reservoirs

NASA Astrophysics Data System (ADS)

Watanabe, Norihiro; Blucher, Guido; Cacace, Mauro; Kolditz, Olaf

2016-04-01

A robust and computationally efficient solution is important for 3D modelling of EGS reservoirs. This is particularly the case when the reservoir model includes hydraulic conduits such as induced or natural fractures, fault zones, and wellbore open-hole sections. The existence of such hydraulic conduits results in heterogeneous flow fields and in a strengthened coupling between fluid flow and heat transport processes via temperature dependent fluid properties (e.g. density and viscosity). A commonly employed partitioned solution (or operator-splitting solution) may not robustly work for such strongly coupled problems its applicability being limited by small time step sizes (e.g. 5-10 days) whereas the processes have to be simulated for 10-100 years. To overcome this limitation, an alternative approach is desired which can guarantee a robust solution of the coupled problem with minor constraints on time step sizes. In this work, we present a Newton-Raphson based monolithic coupling approach implemented in the OpenGeoSys simulator (OGS) combined with the Portable, Extensible Toolkit for Scientific Computation (PETSc) library. The PETSc library is used for both linear and nonlinear solvers as well as MPI-based parallel computations. The suggested method has been tested by application to the 3D reservoir site of Groß Schönebeck, in northern Germany. Results show that the exact Newton-Raphson approach can also be limited to small time step sizes (e.g. one day) due to slight oscillations in the temperature field. The usage of a line search technique and modification of the Jacobian matrix were necessary to achieve robust convergence of the nonlinear solution. For the studied example, the proposed monolithic approach worked even with a very large time step size of 3.5 years.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction

NASA Astrophysics Data System (ADS)

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-01

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction.

PubMed

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-21

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Linear response theory for a pseudo-Hermitian system-reservoir interaction

NASA Astrophysics Data System (ADS)

Duarte, O. S.; Luiz, F. S.; Moussa, M. H. Y.

2018-03-01

We present here an extension of the Caldeira-Leggett linear response model considering a pseudo-Hermitian PT} -symmetric system-reservoir interaction. Our generalized Feynman-Vernon functional, derived from the PT} -symmetric coupling, accounts for two influence channels: a velocity-dependent one, which can act in reverse, providing energy to the system instead of draining it as usual, and an acceleration-dependent drain, analogue to the radiation-emission process. Therefore, an adequate choice of the Hamiltonian's parameters may allow the system to extract energy from the reservoir even at absolute zero for a period that may be much longer than the characteristic relaxation time. After this energy supply, the system is driven to a steady state whose energy is necessarily higher than the thermodynamic equilibrium energy due to the velocity-dependent pump. This heating mechanism of the system is more pronounced the more distant from the hermiticity is its coupling with the reservoir. An analytical derivation of the high-temperature master equation is provided helping us to better understand the whole scenario and to compute the associated relaxation and decoherence rates.

Dynamics of entropy and nonclassical properties of the state of a Λ-type three-level atom interacting with a single-mode cavity field with intensity-dependent coupling in a Kerr medium

NASA Astrophysics Data System (ADS)

Faghihi, M. J.; Tavassoly, M. K.

2012-02-01

In this paper, we study the interaction between a three-level atom and a quantized single-mode field with ‘intensity-dependent coupling’ in a ‘Kerr medium’. The three-level atom is considered to be in a Λ-type configuration. Under particular initial conditions, which may be prepared for the atom and the field, the dynamical state vector of the entire system will be explicitly obtained, for the arbitrary nonlinearity function f(n) associated with any physical system. Then, after evaluating the variation of the field entropy against time, we will investigate the quantum statistics as well as some of the nonclassical properties of the introduced state. During our calculations we investigate the effects of intensity-dependent coupling, Kerr medium and detuning parameters on the depth and domain of the nonclassicality features of the atom-field state vector. Finally, we compare our obtained results with those of V-type three-level atoms.

A cost-effective quasi-distributed liquid leakage sensor based on the polymer optical fiber and flexible lamp belt with LEDs.

PubMed

Zhang, Yingzi; Hou, Yulong; Zhang, Yanjun; Hu, Yanjun; Zhang, Liang; Gao, Xiaolong; Zhang, Huixin; Liu, Wenyi

2018-04-16

A quasi-distributed liquid leakage (QDLL) sensor in local area is proposed and experimentally demonstrated, providing a real-time yet low-cost method than the existing local QDLL sensor. The sensor mainly consists of a flexible lamp belt (FLB) with light-emitting diodes (LEDs) and a polymer optical fiber (POF) processed with side-coupling structures. The side-coupling structures are illuminated by the LEDs one by one, forming a series of sensing probes. The lights are side-coupled into the POF through the side-coupling structure and pulse sequences are obtained from the power meters connected to the both ends of the POF. Each pulse represents a sensing probe, and the intensity of them increase when the coupling medium changes from air to liquid. The location of the leakage incident can be got by the position of each pulse in its output sequence. The influence of different side-coupling structures on side-coupling ratio are investigated. The experiment results validate the detection and localization abilities of the QDLL sensor along a 1 m-long POF with a spatial resolution of 0.1 m, which can be improved by adjusting the side-coupling structure. Furthermore, the temperature dependence is studied and can be compensated.

Local complexity predicts global synchronization of hierarchically networked oscillators

NASA Astrophysics Data System (ADS)

Xu, Jin; Park, Dong-Ho; Jo, Junghyo

2017-07-01

We study the global synchronization of hierarchically-organized Stuart-Landau oscillators, where each subsystem consists of three oscillators with activity-dependent couplings. We considered all possible coupling signs between the three oscillators, and found that they can generate different numbers of phase attractors depending on the network motif. Here, the subsystems are coupled through mean activities of total oscillators. Under weak inter-subsystem couplings, we demonstrate that the synchronization between subsystems is highly correlated with the number of attractors in uncoupled subsystems. Among the network motifs, perfect anti-symmetric ones are unique to generate both single and multiple attractors depending on the activities of oscillators. The flexible local complexity can make global synchronization controllable.

Optimally designed gold nanorattles with strong built-in hotspots and weak polarization dependence

NASA Astrophysics Data System (ADS)

Zhang, Xuemin; Wang, Tieqiang; Li, Yunong; Fu, Yu; Guo, Lei

2017-12-01

Localized electromagnetic fields generated by interparticle plasmon coupling suffer greatly from nonreproducibility because they are extremely sensitive to the nanoparticle aggregation status and the incident polarization. Here, we synthesize gold nanorattles that exhibit inherent aggregation-insensitive hotspots due to the intraparticle core-shell plasmon coupling, and investigate the structural effect on the intraparticle coupling strength and its polarization dependence. Through optimizing the structural parameters, we successfully synthesize gold nanorattles with strong built-in hotspots and weak polarization dependence. These aggregation-insensitive and weakly polarization-dependent hotspots make the Raman enhancement from nanorattle aggregates show an unusual weak dependence on the particle aggregation status, which therefore affords the opportunity to fabricate uniform and reproducible surface enhanced Raman scattering substrates.

Highly sensitive graphene biosensor by monomolecular self-assembly of receptors on graphene surface

NASA Astrophysics Data System (ADS)

Kim, Ji Eun; No, Young Hyun; Kim, Joo Nam; Shin, Yong Seon; Kang, Won Tae; Kim, Young Rae; Kim, Kun Nyun; Kim, Yong Ho; Yu, Woo Jong

2017-05-01

Graphene has attracted a great deal of interest for applications in bio-sensing devices because of its ultra-thin structure, which enables strong electrostatic coupling with target molecules, and its excellent electrical mobility promising for ultra-fast sensing speeds. However, thickly stacked receptors on the graphene's surface interrupts electrostatic coupling between graphene and charged biomolecules, which can reduce the sensitivity of graphene biosensors. Here, we report a highly sensitive graphene biosensor by the monomolecular self-assembly of designed peptide protein receptors. The graphene channel was non-covalently functionalized using peptide protein receptors via the π-π interaction along the graphene's Bravais lattice, allowing ultra-thin monomolecular self-assembly through the graphene lattice. In thickness dependent characterization, a graphene sensor with a monomolecular receptor (thickness less than 3 nm) showed five times higher sensitivity and three times higher voltage shifts than graphene sensors with thick receptor stacks (thicknesses greater than 20 nm), which is attributed to excellent gate coupling between graphene and streptavidin via an ultrathin receptor insulator. In addition to having a fast-inherent response time (less than 0.6 s) based on fast binding speed between biotin and streptavidin, our graphene biosensor is a promising platform for highly sensitive real-time monitoring of biomolecules with high spatiotemporal resolution.

History-dependent friction and slow slip from time-dependent microscopic junction laws studied in a statistical framework

NASA Astrophysics Data System (ADS)

Thøgersen, Kjetil; Trømborg, Jørgen Kjoshagen; Sveinsson, Henrik Andersen; Malthe-Sørenssen, Anders; Scheibert, Julien

2014-05-01

To study how macroscopic friction phenomena originate from microscopic junction laws, we introduce a general statistical framework describing the collective behavior of a large number of individual microjunctions forming a macroscopic frictional interface. Each microjunction can switch in time between two states: a pinned state characterized by a displacement-dependent force and a slipping state characterized by a time-dependent force. Instead of tracking each microjunction individually, the state of the interface is described by two coupled distributions for (i) the stretching of pinned junctions and (ii) the time spent in the slipping state. This framework allows for a whole family of microjunction behavior laws, and we show how it represents an overarching structure for many existing models found in the friction literature. We then use this framework to pinpoint the effects of the time scale that controls the duration of the slipping state. First, we show that the model reproduces a series of friction phenomena already observed experimentally. The macroscopic steady-state friction force is velocity dependent, either monotonic (strengthening or weakening) or nonmonotonic (weakening-strengthening), depending on the microscopic behavior of individual junctions. In addition, slow slip, which has been reported in a wide variety of systems, spontaneously occurs in the model if the friction contribution from junctions in the slipping state is time weakening. Next, we show that the model predicts a nontrivial history dependence of the macroscopic static friction force. In particular, the static friction coefficient at the onset of sliding is shown to increase with increasing deceleration during the final phases of the preceding sliding event. We suggest that this form of history dependence of static friction should be investigated in experiments, and we provide the acceleration range in which this effect is expected to be experimentally observable.

History-dependent friction and slow slip from time-dependent microscopic junction laws studied in a statistical framework.

PubMed

Thøgersen, Kjetil; Trømborg, Jørgen Kjoshagen; Sveinsson, Henrik Andersen; Malthe-Sørenssen, Anders; Scheibert, Julien

2014-05-01

To study how macroscopic friction phenomena originate from microscopic junction laws, we introduce a general statistical framework describing the collective behavior of a large number of individual microjunctions forming a macroscopic frictional interface. Each microjunction can switch in time between two states: a pinned state characterized by a displacement-dependent force and a slipping state characterized by a time-dependent force. Instead of tracking each microjunction individually, the state of the interface is described by two coupled distributions for (i) the stretching of pinned junctions and (ii) the time spent in the slipping state. This framework allows for a whole family of microjunction behavior laws, and we show how it represents an overarching structure for many existing models found in the friction literature. We then use this framework to pinpoint the effects of the time scale that controls the duration of the slipping state. First, we show that the model reproduces a series of friction phenomena already observed experimentally. The macroscopic steady-state friction force is velocity dependent, either monotonic (strengthening or weakening) or nonmonotonic (weakening-strengthening), depending on the microscopic behavior of individual junctions. In addition, slow slip, which has been reported in a wide variety of systems, spontaneously occurs in the model if the friction contribution from junctions in the slipping state is time weakening. Next, we show that the model predicts a nontrivial history dependence of the macroscopic static friction force. In particular, the static friction coefficient at the onset of sliding is shown to increase with increasing deceleration during the final phases of the preceding sliding event. We suggest that this form of history dependence of static friction should be investigated in experiments, and we provide the acceleration range in which this effect is expected to be experimentally observable.

Thermoelectrics in Coulomb-coupled quantum dots: Cotunneling and energy-dependent lead couplings

NASA Astrophysics Data System (ADS)

Walldorf, Nicklas; Jauho, Antti-Pekka; Kaasbjerg, Kristen

2017-09-01

We study thermoelectric effects in Coulomb-coupled quantum-dot (CCQD) systems beyond lowest-order tunneling processes and the often applied wide-band approximation. To this end, we present a master-equation (ME) approach based on a perturbative T -matrix calculation of the charge and heat tunneling rates and transport currents. Applying the method to transport through a noninteracting single-level QD, we demonstrate excellent agreement with the Landauer-Büttiker theory when higher-order (cotunneling) processes are included in the ME. Next, we study the effect of cotunneling and energy-dependent lead couplings on the heat currents in a system of two CCQDs. We find that cotunneling processes (i) can dominate the off-resonant heat currents at low temperature and bias compared to the interdot interaction, and (ii) give rise to a pronounced reduction of the cooling power achievable with the recently demonstrated Maxwell's demon cooling mechanism. Furthermore, we demonstrate that the cooling power can be boosted significantly by carefully engineering the energy dependence of the lead couplings to filter out undesired transport processes. Our findings emphasize the importance of higher-order cotunneling processes as well as engineered energy-dependent lead couplings in the optimization of the thermoelectric performance of CCQD systems.

The dependency paradox in close relationships: accepting dependence promotes independence.

PubMed

Feeney, Brooke C

2007-02-01

Using multiple methods, this investigation tested the hypothesis that a close relationship partner's acceptance of dependence when needed (e.g., sensitive responsiveness to distress cues) is associated with less dependence, more autonomous functioning, and more self-sufficiency (as opposed to more dependence) on the part of the supported individual. In two studies, measures of acceptance of dependency needs and independent functioning were obtained through couple member reports, by observing couple members' behaviors during laboratory interactions, by observing responses to experimentally manipulated partner assistance provided during an individual laboratory task, and by following couples over a period of 6 months to examine independent goal striving as a function of prior assessments of dependency acceptance. Results provided converging evidence in support of the proposed hypothesis. Implications of the importance of close relationships for optimal individual functioning are discussed. ((c) 2007 APA, all rights reserved).

Divergent β-Arrestin-dependent Signaling Events Are Dependent upon Sequences within G-protein-coupled Receptor C Termini*

PubMed Central

Pal, Kasturi; Mathur, Maneesh; Kumar, Puneet; DeFea, Kathryn

2013-01-01

β-Arrestins are multifunctional adaptor proteins that, upon recruitment to an activated G-protein-coupled receptor, can promote desensitization of G-protein signaling and receptor internalization while simultaneously eliciting an independent signal. The result of β-arrestin signaling depends upon the activating receptor. For example, activation of two Gαq-coupled receptors, protease-activated receptor-2 (PAR2) and neurokinin-1 receptor (NK1R), results in drastically different signaling events. PAR2 promotes β-arrestin-dependent membrane-sequestered extracellular signal-regulated kinase (ERK1/2) activation, cofilin activation, and cell migration, whereas NK1R promotes nuclear ERK1/2 activation and proliferation. Using bioluminescence resonance energy transfer to monitor receptor/β-arrestin interactions in real time, we observe that PAR2 has a higher apparent affinity for both β-arrestins than does NK1R, recruits them at a faster rate, and exhibits more rapid desensitization of the G-protein signal. Furthermore, recruitment of β-arrestins to PAR2 does not require prior Gαq signaling events, whereas inhibition of Gαq signaling intermediates inhibits recruitment of β-arrestins to NK1R. Using chimeric receptors in which the C terminus of PAR2 is fused to the N terminus of NK1R and vice versa and a critical Ser/Thr mutant of PAR2, we demonstrate that interactions between β-arrestins and specific phosphoresidues in the C termini of each receptor are crucial for determining the rate and magnitude of β-arrestin recruitment as well as the ultimate signaling outcome. PMID:23235155

The coupling of nicotine and stimulant craving during treatment for stimulant dependence.

PubMed

Magee, Joshua C; Winhusen, Theresa

2016-03-01

Smoking prevalence is high among substance abusers, making it important to understand when nicotine abstinence will aid, impair, or not affect abstinence from other substances. This study tested novel hypotheses about the coupling of nicotine and stimulant craving over time during stimulant dependence treatment. Adults (N = 538) with cocaine and/or methamphetamine dependence completed a 10-week randomized controlled trial of substance use treatment with or without smoking cessation treatment. Participants reported nicotine and stimulant craving weekly and use twice per week. Latent change score modeling tested the association between weekly increases in nicotine craving and subsequent weekly changes in stimulant craving. Interestingly, results revealed a "substitution" effect: increases in nicotine craving predicted subsequent decreases in stimulant craving, γ = -.37, p = .001. Additionally, increases in nicotine craving predicted subsequent increases in nicotine use, γ = 1.26, p = .04, and decreases in stimulant use, γ = -.07, p = .03. As expected, the substitution effect between nicotine and stimulant craving was stronger when stimulants were administered through the same route as nicotine (i.e., smoking), γ = -.56, p = .005, versus other routes, γ = -.32, p = .06. Finally, smoking cessation treatment eliminated the coupling between nicotine craving and stimulant craving, γ = -.07, p = .39. Contrary to concerns about nicotine abstinence during substance dependence treatment, increases in nicotine craving may be associated with later reductions in stimulant craving and use, and unrelated when smoking cessation treatment is introduced. Weekly changes in nicotine craving convey information that can help clinicians to predict and understand shifts in stimulant craving and use during substance use disorder treatment. (c) 2016 APA, all rights reserved).

Fast DRR generation for 2D to 3D registration on GPUs.

PubMed

Tornai, Gábor János; Cserey, György; Pappas, Ion

2012-08-01

The generation of digitally reconstructed radiographs (DRRs) is the most time consuming step on the CPU in intensity based two-dimensional x-ray to three-dimensional (CT or 3D rotational x-ray) medical image registration, which has application in several image guided interventions. This work presents optimized DRR rendering on graphical processor units (GPUs) and compares performance achievable on four commercially available devices. A ray-cast based DRR rendering was implemented for a 512 × 512 × 72 CT volume. The block size parameter was optimized for four different GPUs for a region of interest (ROI) of 400 × 225 pixels with different sampling ratios (1.1%-9.1% and 100%). Performance was statistically evaluated and compared for the four GPUs. The method and the block size dependence were validated on the latest GPU for several parameter settings with a public gold standard dataset (512 × 512 × 825 CT) for registration purposes. Depending on the GPU, the full ROI is rendered in 2.7-5.2 ms. If sampling ratio of 1.1%-9.1% is applied, execution time is in the range of 0.3-7.3 ms. On all GPUs, the mean of the execution time increased linearly with respect to the number of pixels if sampling was used. The presented results outperform other results from the literature. This indicates that automatic 2D to 3D registration, which typically requires a couple of hundred DRR renderings to converge, can be performed quasi on-line, in less than a second or depending on the application and hardware in less than a couple of seconds. Accordingly, a whole new field of applications is opened for image guided interventions, where the registration is continuously performed to match the real-time x-ray.

The Dependence of Portevin-Le Châtelier Effect on the γ' Precipitates in a Wrought Ni-Base Superalloy

NASA Astrophysics Data System (ADS)

Wang, Xinguang; Han, Guoming; Cui, Chuanyong; Guan, Shuai; Jin, Tao; Sun, Xiaofeng; Hu, Zhuangqi

2016-12-01

The dependence of Portevin-Le Châtelier (PLC) effect on the γ' precipitates of the Nimonic 263 alloy in different microstructural conditions has been studied by analyzing the parameters of the tensile curves and the deformation mechanisms. It is shown that the γ' precipitates with different sizes, edge-to-edge interprecipitate distance, and areal number density are obtained by altering the aging time. It is demonstrated that when the mean size of the γ' precipitates is less than 28 nm (aging less than 25 hours), the deformation mechanisms are dominated by APB-coupled a/2<101> dislocations shearing the small γ' precipitates and the slip bands continuously cutting the γ and γ' phases. When the γ' size is between 28 and 45 nm (aging time between 25 and 50 hours), the deformation mechanism is controlled by the APB-coupled a/2<101> dislocations shearing the small γ' precipitates, the a/6<112> Shockley partial dislocation continuously shearing the γ and γ' phases combined with matrix dislocations by-passing the γ' precipitates; If the γ' size over 45 nm (aging time more than 50 hours), Orowan by-passing becomes the main deformation mechanism. Moreover, with increasing the aging time, the critical plastic strain for the onset of the PLC effect increases and reaches a maximum after aging for 50 hours, and then gradually decreases. At last, the dependence of critical plastic strain on the deformation mechanisms is well explained by the elementary incremental strain (γ). The precipitation process of the γ' phase can directly influence the PLC effect by changing the interactions among solutes atoms, mobile dislocations, and forest dislocations.

Quantum dynamics in strong fluctuating fields

NASA Astrophysics Data System (ADS)

Goychuk, Igor; Hänggi, Peter

A large number of multifaceted quantum transport processes in molecular systems and physical nanosystems, such as e.g. nonadiabatic electron transfer in proteins, can be treated in terms of quantum relaxation processes which couple to one or several fluctuating environments. A thermal equilibrium environment can conveniently be modelled by a thermal bath of harmonic oscillators. An archetype situation provides a two-state dissipative quantum dynamics, commonly known under the label of a spin-boson dynamics. An interesting and nontrivial physical situation emerges, however, when the quantum dynamics evolves far away from thermal equilibrium. This occurs, for example, when a charge transferring medium possesses nonequilibrium degrees of freedom, or when a strong time-dependent control field is applied externally. Accordingly, certain parameters of underlying quantum subsystem acquire stochastic character. This may occur, for example, for the tunnelling coupling between the donor and acceptor states of the transferring electron, or for the corresponding energy difference between electronic states which assume via the coupling to the fluctuating environment an explicit stochastic or deterministic time-dependence. Here, we review the general theoretical framework which is based on the method of projector operators, yielding the quantum master equations for systems that are exposed to strong external fields. This allows one to investigate on a common basis, the influence of nonequilibrium fluctuations and periodic electrical fields on those already mentioned dynamics and related quantum transport processes. Most importantly, such strong fluctuating fields induce a whole variety of nonlinear and nonequilibrium phenomena. A characteristic feature of such dynamics is the absence of thermal (quantum) detailed balance.ContentsPAGE1. Introduction5262. Quantum dynamics in stochastic fields531 2.1. Stochastic Liouville equation531 2.2. Non-Markovian vs. Markovian discrete state fluctuations531 2.3. Averaging the quantum propagator533  2.3.1. Kubo oscillator535  2.3.2. Averaged dynamics of two-level quantum systems exposed to two-state stochastic fields537 2.4. Projection operator method: a primer5403. Two-state quantum dynamics in periodic fields542 3.1. Coherent destruction of tunnelling542 3.2. Driving-induced tunnelling oscillations (DITO)5434. Dissipative quantum dynamics in strong time-dependent fields544 4.1. General formalism544  4.1.1. Weak-coupling approximation545  4.1.2. Markovian approximation: Generalised Redfield Equations5475. Application I: Quantum relaxation in driven, dissipative two-level systems548 5.1. Decoupling approximation for fast fluctuating energy levels550  5.1.1. Control of quantum rates551  5.1.2. Stochastic cooling and inversion of level populations552  5.1.3. Emergence of an effective energy bias553 5.2. Quantum relaxation in strong periodic fields554 5.3. Approximation of time-dependent rates554 5.4. Exact averaging for dichotomous Markovian fluctuations5556. Application II: Driven electron transfer within a spin-boson description557 6.1. Curve-crossing problems with dissipation558 6.2. Weak system-bath coupling559 6.3. Beyond weak-coupling theory: Strong system-bath coupling563  6.3.1. Fast fluctuating energy levels565  6.3.2. Exact averaging over dichotomous fluctuations of the energy levels566  6.3.3. Electron transfer in fast oscillating periodic fields567  6.3.4. Dichotomously fluctuating tunnelling barrier5687. Quantum transport in dissipative tight-binding models subjected tostrong external fields569 7.1. Noise-induced absolute negative mobility571 7.2. Dissipative quantum rectifiers573 7.3. Limit of vanishing dissipation575 7.4. Case of harmonic mixing drive5758. Summary576Acknowledgements578References579

Event-Based $H_\\infty $ State Estimation for Time-Varying Stochastic Dynamical Networks With State- and Disturbance-Dependent Noises.

PubMed

Sheng, Li; Wang, Zidong; Zou, Lei; Alsaadi, Fuad E

2017-10-01

In this paper, the event-based finite-horizon H ∞ state estimation problem is investigated for a class of discrete time-varying stochastic dynamical networks with state- and disturbance-dependent noises [also called (x,v) -dependent noises]. An event-triggered scheme is proposed to decrease the frequency of the data transmission between the sensors and the estimator, where the signal is transmitted only when certain conditions are satisfied. The purpose of the problem addressed is to design a time-varying state estimator in order to estimate the network states through available output measurements. By employing the completing-the-square technique and the stochastic analysis approach, sufficient conditions are established to ensure that the error dynamics of the state estimation satisfies a prescribed H ∞ performance constraint over a finite horizon. The desired estimator parameters can be designed via solving coupled backward recursive Riccati difference equations. Finally, a numerical example is exploited to demonstrate the effectiveness of the developed state estimation scheme.

Time Dependent Solution for the He I Line Ratio Electron Temperature and Density Diagnostic in TEXTOR and DIII-D

NASA Astrophysics Data System (ADS)

Munoz Burgos, J. M.; Schmitz, O.; Unterberg, E. A.; Loch, S. D.; Balance, C. P.

2010-11-01

We developed a time dependent solution for the He I line ratio diagnostic. Stationary solution is applied for L-mode at TEXTOR. The radial range is typically limited to a region near the separatrix due to metastable effects, and the atomic data used. We overcome this problem by applying a time dependent solution and thus avoid unphysical results. We use a new R-Matrix with Pseudostates and Convergence Cross-Coupling electron impact excitation and ionization atomic data set into the Collisional Radiative Model (CRM). We include contributions from higher Rydberg states into the CRM by means of the projection matrix. By applying this solution (to the region near the wall) and the stationary solution (near the separatrix), we triple the radial range of the current diagnostic. We explore the possibility of extending this approach to H-mode plasmas in DIII-D by estimating line emission profiles from electron temperature and density Thomson scattering data.

Exciton interference revealed by energy dependent exciton transfer rate for ring-structured molecular systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Yun-An, E-mail: yunan@gznc.edu.cn

2016-01-14

The quantum interference is an intrinsic phenomenon in quantum physics for photon and massive quantum particles. In principle, the quantum interference may also occur with quasi-particles, such as the exciton. In this study, we show how the exciton quantum interference can be significant in aggregates through theoretical simulations with hierarchical equations of motion. The systems under investigation are generalized donor-bridge-acceptor model aggregates with the donor consisting of six homogeneous sites assuming the nearest neighbor coupling. For the models with single-path bridge, the exciton transfer time only shows a weak excitation energy dependence. But models with double-path bridge have a newmore » short transfer time scale and the excitation energy dependence of the exciton transfer time assumes clear peak structure which is detectable with today’s nonlinear spectroscopy. This abnormality is attributed to the exciton quantum interference and the condition for a clear observation in experiment is also explored.« less

The role of spatial organization of Ca2+ release sites in the generation of arrhythmogenic diastolic Ca2+ release in myocytes from failing hearts

PubMed Central

Ho, Hsiang-Ting; Bonilla, Ingrid M.; Terentyeva, Radmila; Schober, Karsten E.; Terentyev, Dmitry; Carnes, Cynthia A.

2018-01-01

In heart failure (HF), dysregulated cardiac ryanodine receptors (RyR2) contribute to the generation of diastolic Ca2+ waves (DCWs), thereby predisposing adrenergically stressed failing hearts to life-threatening arrhythmias. However, the specific cellular, subcellular, and molecular defects that account for cardiac arrhythmia in HF remain to be elucidated. Patch-clamp techniques and confocal Ca2+ imaging were applied to study spatially defined Ca2+ handling in ventricular myocytes isolated from normal (control) and failing canine hearts. Based on their activation time upon electrical stimulation, Ca2+ release sites were categorized as coupled, located in close proximity to the sarcolemmal Ca2+ channels, and uncoupled, the Ca2+ channel-free non-junctional Ca2+ release units. In control myocytes, stimulation of β-adrenergic receptors with isoproterenol (Iso) resulted in a preferential increase in Ca2+ spark rate at uncoupled sites. This site-specific effect of Iso was eliminated by the phosphatase inhibitor okadaic acid, which caused similar facilitation of Ca2+ sparks at coupled and uncoupled sites. Iso-challenged HF myocytes exhibited increased predisposition to DCWs compared to control myocytes. In addition, the overall frequency of Ca2+ sparks was increased in HF cells due to preferential stimulation of coupled sites. Furthermore, coupled sites exhibited accelerated recovery from functional refractoriness in HF myocytes compared to control myocytes. Spatially resolved subcellular Ca2+ mapping revealed that DCWs predominantly originated from coupled sites. Inhibition of CaMK∏ suppressed DCWs and prevented preferential stimulation of coupled sites in Iso-challenged HF myocytes. These results suggest that CaMK∏-(and phosphatase)-dependent dysregulation of junctional Ca2+ release sites contributes to Ca2+-dependent arrhythmogenesis in HF. PMID:28612155

A vacuolar H(+)-pyrophosphatase differential activation and energy coupling integrate the responses of weeds and crops to drought stress.

PubMed

Venancio, Josimara Barcelos; Catunda, Michelle Guedes; Ogliari, Juarez; Rima, Janaína Aparecida Hottz; Okorokova-Facanha, Anna Lvovna; Okorokov, Lev Alexandrovitich; Facanha, Arnoldo Rocha

2014-06-01

Cyperus rotundus L. is a C4 weed of large vegetative and reproductive vigor endowed with competitive advantages over most crop species mainly under adverse environmental conditions. Vacuole functions are critical for the mechanisms of drought resistance, and here the modulation of the primary system of vacuolar ion transport is investigated during a transient water stress imposed to this weed and to C4 crop species (Zea mays L.). The vacuolar H(+) pumps, the H(+)-ATPase and H(+)-PPiase, expression, activities and the energy coupling were spectrophotometrically investigated as key elements in the differential drought-resistance mechanisms developed by weeds and crops. In C. rotundus tonoplasts, ATP hydrolysis was more sensitive to drought than its coupled H(+) transport, which was in turn at least 3-folds faster than that mediated by the H(+)-PPiase. Its PPi hydrolysis was only slightly affected by severe water deficit, contrasting with the disruption induced in the PPi-dependent H(+)-gradient. This effect was antagonized by plant rehydration as the H(+)-PPiase activity was highly stimulated, reassuming a coupled PPi-driven H(+) pumping. Maize tonoplasts exhibited 2-4 times lower hydrolytic activities than that of C. rotundus, but were able to overactivate specifically PPi-dependent H(+) pumping in response to stress relief, resulting in an enhanced H(+)-pumps coupling efficiency. These results together with immunoanalysis revealed profiles consistent with pre- and post-translational changes occurring on the tonoplast H(+)-pumps, which differ between weeds and crops upon water deficit. The evidences highlight an unusual modulation of the H(+)-PPiase energy coupling as a key biochemical change related to environmental stresses adaptive capacity of plants. Copyright © 2014 Elsevier B.V. All rights reserved.

Coupling optical and electrical gating for electronic readout of quantum dot dynamics

NASA Astrophysics Data System (ADS)

Vasudevan, Smitha; Walczak, Kamil; Ghosh, Avik W.

2010-08-01

We explore the coherent transfer of electronic signatures from a strongly correlated, optically gated nanoscale quantum dot to a weakly interacting, electrically backgated microscale channel. In this unique side-coupled “ T ” geometry for transport, we predict a mechanism for detecting Rabi oscillations induced in the dot through quantum, rather than electrostatic means. This detection shows up directly in the dc conductance-voltage spectrum as a field-tunable split in the Fano lineshape arising due to interference between the dipole coupled dot states and the channel continuum. The split is further modified by the Coulomb interactions within the dot that influence the detuning of the Rabi oscillations. Furthermore, time resolving the signal we see clear beats when the Rabi frequencies approach the intrinsic Bohr frequencies in the dot. Capturing these coupled dynamics requires attention to memory effects and quantum interference in the channel as well as many-body effects in the dot. We accomplish this coupling by combining a Fock-space master equation for the dot dynamics with the phase-coherent, non-Markovian time-dependent nonequilibrium Green’s function transport formalism in the channel through a properly evaluated self-energy and a Coulomb integral. The strength of the interactions can further be modulated using a backgate that controls the degree of hybridization and charge polarization at the transistor surface.

Real-time ab initio simulations of excited-state dynamics in nanostructures

NASA Astrophysics Data System (ADS)

Tomanek, David

2007-03-01

Combining time-dependent ab initio density functional calculations for electrons with molecular dynamics simulations for ions, we investigate the effect of excited-state dynamics in nanostructures. In carbon nanotubes, we find electronic excitations to last for a large fraction of a picosecond. The de-excitation process is dominated by coupling to other electronic degrees of freedom during the first few hundred femtoseconds. Later, the de-excitation process becomes dominated by coupling to ionic motion. The onset point and damping rate in that regime change with initial ion velocities, a manifestation of temperature dependent electron-phonon coupling. Considering the fact that the force field in the electronically excited state differs significantly from the ground state, as reflected in the Franck-Condon effect, atomic bonds can easily be broken or restored during the relatively long lifetime of electronic excitations. This effect can be utilized in a ``photo-surgery" of nanotubes, causing structural self-healing at vacancy sites or selective de-oxidation processes induced by photo-absorption. Also, electronic excitations are a key ingredient for the understanding of sputtering processes in nanostructures, induced by energetic collisions with ions. Yoshiyuki Miyamoto, Angel Rubio, and David Tomanek, Phys. Rev. Lett. 97, 126104 (2006). Yoshiyuki Miyamoto, Savas Berber, Mina Yoon, Angel Rubio, and David Tomanek, Chem. Phys. Lett. 392, 209 (2004). Yoshiyuki Miyamoto, Noboru Jinbo, Hisashi Nakamura, Angel Rubio, and David Tomanek, Phys. Rev. B 70, 233408 (2004). Yoshiyuki Miyamoto, Arkady Krasheninnikov, and David Tomanek (in preparation).

Electric-field-driven electron-transfer in mixed-valence molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blair, Enrique P., E-mail: enrique-blair@baylor.edu; Corcelli, Steven A., E-mail: scorcell@nd.edu; Lent, Craig S., E-mail: lent@nd.edu

2016-07-07

Molecular quantum-dot cellular automata is a computing paradigm in which digital information is encoded by the charge configuration of a mixed-valence molecule. General-purpose computing can be achieved by arranging these compounds on a substrate and exploiting intermolecular Coulombic coupling. The operation of such a device relies on nonequilibrium electron transfer (ET), whereby the time-varying electric field of one molecule induces an ET event in a neighboring molecule. The magnitude of the electric fields can be quite large because of close spatial proximity, and the induced ET rate is a measure of the nonequilibrium response of the molecule. We calculate themore » electric-field-driven ET rate for a model mixed-valence compound. The mixed-valence molecule is regarded as a two-state electronic system coupled to a molecular vibrational mode, which is, in turn, coupled to a thermal environment. Both the electronic and vibrational degrees-of-freedom are treated quantum mechanically, and the dissipative vibrational-bath interaction is modeled with the Lindblad equation. This approach captures both tunneling and nonadiabatic dynamics. Relationships between microscopic molecular properties and the driven ET rate are explored for two time-dependent applied fields: an abruptly switched field and a linearly ramped field. In both cases, the driven ET rate is only weakly temperature dependent. When the model is applied using parameters appropriate to a specific mixed-valence molecule, diferrocenylacetylene, terahertz-range ET transfer rates are predicted.« less

On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

NASA Astrophysics Data System (ADS)

Zarycz, M. Natalia C.; Provasi, Patricio F.; Sauer, Stephan P. A.

2015-12-01

It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH4, NH3, H2O, SiH4, PH3, SH2, C2H2, C2H4, and C2H6. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

Transitioning NWChem to the Next Generation of Manycore Machines

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bylaska, Eric J.; Apra, Edoardo; Kowalski, Karol

The NorthWest Chemistry (NWChem) modeling software is a popular molecular chemistry simulation software that was designed from the start to work on massively parallel processing supercomputers[6, 28, 49]. It contains an umbrella of modules that today includes Self Consistent Field (SCF), second order Mller-Plesset perturbation theory (MP2), Coupled Cluster, multi-conguration selfconsistent eld (MCSCF), selected conguration interaction (CI), tensor contraction engine (TCE) many body methods, density functional theory (DFT), time-dependent density functional theory (TDDFT), real time time-dependent density functional theory, pseudopotential plane-wave density functional theory (PSPW), band structure (BAND), ab initio molecular dynamics, Car-Parrinello molecular dynamics, classical molecular dynamics (MD), QM/MM,more » AIMD/MM, GIAO NMR, COSMO, COSMO-SMD, and RISM solvation models, free energy simulations, reaction path optimization, parallel in time, among other capabilities[ 22]. Moreover new capabilities continue to be added with each new release.« less

Real-time label-free quantitative fluorescence microscopy-based detection of ATP using a tunable fluorescent nano-aptasensor platform.

PubMed

Shrivastava, Sajal; Sohn, Il-Yung; Son, Young-Min; Lee, Won-Il; Lee, Nae-Eung

2015-12-14

Although real-time label-free fluorescent aptasensors based on nanomaterials are increasingly recognized as a useful strategy for the detection of target biomolecules with high fidelity, the lack of an imaging-based quantitative measurement platform limits their implementation with biological samples. Here we introduce an ensemble strategy for a real-time label-free fluorescent graphene (Gr) aptasensor platform. This platform employs aptamer length-dependent tunability, thus enabling the reagentless quantitative detection of biomolecules through computational processing coupled with real-time fluorescence imaging data. We demonstrate that this strategy effectively delivers dose-dependent quantitative readouts of adenosine triphosphate (ATP) concentration on chemical vapor deposited (CVD) Gr and reduced graphene oxide (rGO) surfaces, thereby providing cytotoxicity assessment. Compared with conventional fluorescence spectrometry methods, our highly efficient, universally applicable, and rational approach will facilitate broader implementation of imaging-based biosensing platforms for the quantitative evaluation of a range of target molecules.

Flap-Lag-Torsion Stability in Forward Flight

NASA Technical Reports Server (NTRS)

Panda, B.; Chopra, I.

1985-01-01

An aeroelastic stability of three-degree flap-lag-torsion blade in forward flight is examined. Quasisteady aerodynamics with a dynamic inflow model is used. The nonlinear time dependent periodic blade response is calculated using an iterative procedure based on Floquet theory. The periodic perturbation equations are solved for stability using Floquet transition matrix theory as well as constant coefficient approximation in the fixed reference frame. Results are presented for both stiff-inplane and soft-inplane blade configurations. The effects of several parameters on blade stability are examined, including structural coupling, pitch-flap and pitch-lag coupling, torsion stiffness, steady inflow distribution, dynamic inflow, blade response solution and constant coefficient approximation.

A new detector for mass spectrometry: direct detection of low energy ions using a multi-pixel photon counter.

PubMed

Wilman, Edward S; Gardiner, Sara H; Nomerotski, Andrei; Turchetta, Renato; Brouard, Mark; Vallance, Claire

2012-01-01

A new type of ion detector for mass spectrometry and general detection of low energy ions is presented. The detector consists of a scintillator optically coupled to a single-photon avalanche photodiode (SPAD) array. A prototype sensor has been constructed from a LYSO (Lu(1.8)Y(0.2)SiO(5)(Ce)) scintillator crystal coupled to a commercial SPAD array detector. As proof of concept, the detector is used to record the time-of-flight mass spectra of butanone and carbon disulphide, and the dependence of detection sensitivity on the ion kinetic energy is characterised.

Sensitivity based coupling strengths in complex engineering systems

NASA Technical Reports Server (NTRS)

Bloebaum, C. L.; Sobieszczanski-Sobieski, J.

1993-01-01

The iterative design scheme necessary for complex engineering systems is generally time consuming and difficult to implement. Although a decomposition approach results in a more tractable problem, the inherent couplings make establishing the interdependencies of the various subsystems difficult. Another difficulty lies in identifying the most efficient order of execution for the subsystem analyses. The paper describes an approach for determining the dependencies that could be suspended during the system analysis with minimal accuracy losses, thereby reducing the system complexity. A new multidisciplinary testbed is presented, involving the interaction of structures, aerodynamics, and performance disciplines. Results are presented to demonstrate the effectiveness of the system reduction scheme.

Coupled-channel approach to strangeness S = -2 baryon-bayron interactions in lattice QCD

NASA Astrophysics Data System (ADS)

Sasaki, Kenji; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko

2015-11-01

Baryon-baryon interactions with strangeness S=-2 with flavor SU(3) breaking are calculated for the first time by using the HAL QCD method extended to the coupled-channel system in lattice QCD. The potential matrices are extracted from the Nambu-Bethe-Salpeter wave functions obtained by the 2+1-flavor gauge configurations of the CP-PACS/JLQCD Collaborations with a physical volume of (1.93 fm)^3 and with m_{π }/m_K=0.96, 0.90, 0.86. The spatial structure and the quark mass dependence of the potential matrix in the baryon basis and in the SU(3) basis are investigated.