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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Alfvén wave coupled with flow-driven fluid instability in interpenetrating plasmas

The Alfvén wave is analyzed in case of one quasineutral plasma propagating with some constant speed v{sub 0} through another static quasineutral plasma. A dispersion equation is derived describing the Alfvén wave coupled with the flow driven mode ω=kv{sub 0} and solutions are discussed analytically and numerically. The usual solutions for two oppositely propagating Alfvén waves are substantially modified due to the flowing plasma. More profound is modification of the solution propagating in the negative direction with respect to the magnetic field and the plasma flow. For a large enough flow speed (exceeding the Alfvén speed in the static plasma), this negative solution may become non-propagating, with frequency equal to zero. In this case, it represents a spatial variation of the electromagnetic field. For greater flow speed it becomes a forward mode, and it may merge with the positive one. This merging of the two modes represents the starting point for a flow-driven instability, with two complex-conjugate solutions. The Alfvén wave in interpenetrating plasmas is thus modified and coupled with the flow-driven mode and this coupled mode is shown to be growing when the flow speed is large enough. The energy for the instability is macroscopic kinetic energy of the flowing plasma. The dynamics of plasma particles caused by such a coupled wave still remains similar to the ordinary Alfvén wave. This means that well-known stochastic heating by the Alfvén wave may work, and this should additionally support the potential role of the Alfvén wave in the coronal heating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Resonance tuning due to Coulomb interaction in strong near-field coupled metamaterials

Coulomb's law is one of the most fundamental laws of physics that describes the electrostatic interaction between two like or unlike point charges. Here, we experimentally observe a strong effect of Coulomb interaction in tightly coupled terahertz metamaterials where the split-ring resonator dimers in a unit cell are coupled through their near fields across the capacitive split gaps. Using a simple analytical model, we evaluated the Coulomb parameter that switched its sign from negative to positive values indicating the transition in the nature of Coulomb force from being repulsive to attractive depending upon the near field coupling between the split ring resonators. Apart from showing interesting effects in the strong coupling regime between meta-atoms, Coulomb interaction also allows an additional degree of freedom to achieve frequency tunable dynamic metamaterials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Coupling of magnetic electron drift vortex mode with longitudinal perturbations in collision-less and dissipative electron and electron-ion plasmas

The plasma density non-uniformity gives rise to the coupling of transverse magnetic electron drift vortex (MEDV) mode with the longitudinal perturbations in dissipative and non-dissipative electron plasmas. This coupling produces partially transverse and partially longitudinal low frequency instabilities in classical un-magnetized laser plasmas. The MEDV mode couples with the ion acoustic wave, when the ion dynamics is also included. Both the modes have frequencies of the same order of magnitude and couple to give rise to electromagnetic instabilities in un-magnetized plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Vibronic coupling in molecular crystals: A Franck-Condon Herzberg-Teller model of H-aggregate fluorescence based on quantum chemical cluster calculations

Here, we present a general approach to treating vibronic coupling in molecular crystals based on atomistic simulations of large clusters. Such clusters comprise model aggregates treated at the quantum chemical level embedded within a realistic environment treated at the molecular mechanics level. As we calculate ground and excited state equilibrium geometries and vibrational modes of model aggregates, our approach is able to capture effects arising from coupling to intermolecular degrees of freedom, absent from existing models relying on geometries and normal modes of single molecules. Using the geometries and vibrational modes of clusters, we are able to simulate the fluorescence spectra of aggregates for which the lowest excited state bears negligible oscillator strength (as is the case, e.g., ideal H-aggregates) by including both Franck-Condon (FC) and Herzberg-Teller (HT) vibronic transitions. The latter terms allow the adiabatic excited state of the cluster to couple with vibrations in a perturbative fashion via derivatives of the transition dipole moment along nuclear coordinates. While vibronic coupling simulations employing FC and HT terms are well established for single-molecules, to our knowledge this is the first time they are applied to molecular aggregates. Here, we apply this approach to the simulation of the low-temperature fluorescence spectrum of para-distyrylbenzene single-crystal H-aggregates and draw comparisons with coarse-grained Frenkel-Holstein approaches previously extensively applied to such systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Luminescent coupling in planar opto-electronic devices

Effects of luminescent coupling are observed in monolithic 5 V, five-junction GaAs phototransducers. Power conversion efficiency was measured at 61.6% ± 3% under the continuous, monochromatic illumination for which they were designed. Modeling shows that photon recycling can account for up to 350 mV of photovoltage in these devices. Drift-diffusion based simulations including a luminescent coupling term in the continuity equation show a broadening of the internal quantum efficiency curve which agrees well with experimental measurements. Luminescent coupling is shown to expand the spectral bandwidth of the phototransducer by a factor of at least 3.5 for devices with three or more junctions, even in cases where multiple absorption/emission events are required to transfer excess carriers into the limiting junction. We present a detailed description of the novel luminescent coupling modeling technique used to predict these performance enhancements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Collective coherence in nearest neighbor coupled metamaterials: A metasurface ruler equation

The collective coherent interactions in a meta-atom lattice are the key to myriad applications and functionalities offered by metasurfaces. We demonstrate a collective coherent response of the nearest neighbor coupled split-ring resonators whose resonance shift decays exponentially in the strong near-field coupled regime. This occurs due to the dominant magnetic coupling between the nearest neighbors which leads to the decay of the electromagnetic near fields. Based on the size scaling behavior of the different periodicity metasurfaces, we identified a collective coherent metasurface ruler equation. From the coherent behavior, we also show that the near-field coupling in a metasurface lattice exists even when the periodicity exceeds the resonator size. The identification of a universal coherence in metasurfaces and their scaling behavior would enable the design of novel metadevices whose spectral tuning response based on near-field effects could be calibrated across microwave, terahertz, infrared, and the optical parts of the electromagnetic spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Communication: CDFT-CI couplings can be unreliable when there is fractional charge transfer

Constrained density functional theory with configuration interaction (CDFT-CI) is a useful, low-cost tool for the computational prediction of electronic couplings between pseudo-diabatic constrained electronic states. Such couplings are of paramount importance in electron transfer theory and transition state theory, among other areas of chemistry. Unfortunately, CDFT-CI occasionally fails significantly, predicting a coupling that does not decay exponentially with distance and/or overestimating the expected coupling by an order of magnitude or more. In this communication, we show that the eigenvalues of the difference density matrix between the two constrained states can be used as an a priori metric to determine when CDFT-CI are likely to be reliable: when the eigenvalues are near 0 or ±1, transfer of a whole electron is occurring, and CDFT-CI can be trusted. We demonstrate the utility of this metric with several illustrative examples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach

In a previous study [F. A. Shakib and G. Hanna, J. Chem. Phys. 141, 044122 (2014)], we investigated a model proton-coupled electron transfer (PCET) reaction via the mixed quantum-classical Liouville (MQCL) approach and found that the trajectories spend the majority of their time on the mean of two coherently coupled adiabatic potential energy surfaces. This suggested a need for mean surface evolution to accurately simulate observables related to ultrafast PCET processes. In this study, we simulate the time-dependent populations of the three lowest adiabatic states in the ET-PT (i.e., electron transfer preceding proton transfer) version of the same PCET model via the MQCL approach and compare them to the exact quantum results and those obtained via the fewest switches surface hopping (FSSH) approach. We find that the MQCL population profiles are in good agreement with the exact quantum results and show a significant improvement over the FSSH results. All of the mean surfaces are shown to play a direct role in the dynamics of the state populations. Interestingly, our results indicate that the population transfer to the second-excited state can be mediated by dynamics on the mean of the ground and second-excited state surfaces, as part of a sequence of nonadiabatic transitions that bypasses the first-excited state surface altogether. This is made possible through nonadiabatic transitions between different mean surfaces, which is the manifestation of coherence transfer in MQCL dynamics. We also investigate the effect of the strength of the coupling between the proton/electron and the solvent coordinate on the state population dynamics. Drastic changes in the population dynamics are observed, which can be understood in terms of the changes in the potential energy surfaces and the nonadiabatic couplings. Finally, we investigate the state population dynamics in the PT-ET (i.e., proton transfer preceding electron transfer) and concerted versions of the model. The PT-ET results confirm the participation of all of the mean surfaces, albeit in different proportions compared to the ET-PT case, while the concerted results indicate that the mean of the ground- and first-excited state surfaces only plays a role, due to the large energy gaps between the ground- and second-excited state surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Guiding, bending, and splitting of coupled defect surface modes in a surface-wave photonic crystal

We experimentally demonstrate a type of waveguiding mechanism for coupled surface-wave defect modes in a surface-wave photonic crystal. Unlike conventional spoof surface plasmon waveguides, waveguiding of coupled surface-wave defect modes is achieved through weak coupling between tightly localized defect cavities in an otherwise gapped surface-wave photonic crystal, as a classical wave analogue of tight-binding electronic wavefunctions in solid state lattices. Wave patterns associated with the high transmission of coupled defect surface modes are directly mapped with a near-field microwave scanning probe for various structures including a straight waveguide, a sharp corner, and a T-shaped splitter. These results may find use in the design of integrated surface-wave devices with suppressed crosstalk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Ledge-type Co/L1{sub 0}-FePt exchange-coupled composites

FePt-based exchange-coupled composites consisting of a magnetically hard L1{sub 0}-FePt phase exchange-coupled with a soft ferromagnetic material are promising candidates for future ultra-high density (>1 Tbit/in{sup 2}) perpendicular magnetic recording media, also being of interest for other applications including spin torque oscillators and micro-electro-mechanical systems, among others. In this paper, the effect of the thickness of a soft Co layer (3 < th{sub Co} < 20 nm) on the magnetic behavior of ledge-type fcc(100)-Co/L1{sub 0}(001)-FePt composites deposited on an MgO (100) substrate is systematically studied by combining morpho-structural analyses and angular magnetization measurements. Starting from a film consisting of isolated L1{sub 0}(001)–FePt islands, the ledge-type structure was obtained by depositing a Co layer that either covered the FePt islands or filled-up the inter-island region, gradually forming a continuous layer with increasing Co thickness. A perpendicular anisotropy was maintained up to th{sub Co} ∼ 9.5 nm and a significant reduction in the coercivity (about 50% for th{sub Co} ∼ 3 nm) with the increase in th{sub Co} was observed, indicating that, by coupling hard FePt and soft Co phases in a ledge-type configuration, the writability can be greatly improved. Recoil loops' measurements confirmed the exchange-coupled behavior, reinforcing a potential interest in these systems for future magnetic recording media.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Chaos in generically coupled phase oscillator networks with nonpairwise interactions

The Kuramoto–Sakaguchi system of coupled phase oscillators, where interaction between oscillators is determined by a single harmonic of phase differences of pairs of oscillators, has very simple emergent dynamics in the case of identical oscillators that are globally coupled: there is a variational structure that means the only attractors are full synchrony (in-phase) or splay phase (rotating wave/full asynchrony) oscillations and the bifurcation between these states is highly degenerate. Here we show that nonpairwise coupling—including three and four-way interactions of the oscillator phases—that appears generically at the next order in normal-form based calculations can give rise to complex emergent dynamics in symmetric phase oscillator networks. In particular, we show that chaos can appear in the smallest possible dimension of four coupled phase oscillators for a range of parameter values.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Coupling of electrostatic ion cyclotron and ion acoustic waves in the solar wind

The coupling of electrostatic ion cyclotron and ion acoustic waves is examined in three component magnetized plasma consisting of electrons, protons, and alpha particles. In the theoretical model relevant to solar wind plasma, electrons are assumed to be superthermal with kappa distribution and protons as well as alpha particles follow the fluid dynamical equations. A general linear dispersion relation is derived for such a plasma system which is analyzed both analytically and numerically. For parallel propagation, electrostatic ion cyclotron (proton and helium cyclotron) and ion acoustic (slow and fast) modes are decoupled. For oblique propagation, coupling between the cyclotron and acoustic modes occurs. Furthermore, when the angle of propagation is increased, the separation between acoustic and cyclotron modes increases which is an indication of weaker coupling at large angle of propagation. For perpendicular propagation, only cyclotron modes are observed. The effect of various parameters such as number density and temperature of alpha particles and superthermality on dispersion characteristics is examined in details. The coupling between various modes occurs for small values of wavenumber.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A fiber-coupled displacement measuring interferometer for determination of the posture of a reflective surface

A fiber-coupled displacement measuring interferometer capable of determining of the posture of a reflective surface of a measuring mirror is proposed. The newly constructed instrument combines fiber-coupled displacement and angular measurement technologies. The proposed interferometer has advantages of both the fiber-coupled and the spatially beam-separated interferometer. A portable dual-position sensitive detector (PSD)-based unit within this proposed interferometer measures the parallelism of the two source beams to guide the fiber-coupling adjustment. The portable dual PSD-based unit measures not only the pitch and yaw of the retro-reflector but also measures the posture of the reflective surface. The experimental results of displacement calibration show that the deviations between the proposed interferometer and a reference one, Agilent 5530, at two different common beam directions are both less than ±35 nm, thus verifying the effectiveness of the beam parallelism measurement. The experimental results of angular calibration show that deviations of pitch and yaw with the auto-collimator (as a reference) are less than ±2 arc sec, thus proving the proposed interferometer’s effectiveness for determination of the posture of a reflective surface.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Interlayer exchange coupling between layers with perpendicular and easy-plane magnetic anisotropies

Interlayer exchange coupling between layers with perpendicular and easy-plane magnetic anisotropies separated by a non-magnetic spacer is studied using ferromagnetic resonance. The samples consist of a Co/Ni multilayer with perpendicular magnetic anisotropy and a CoFeB layer with easy-plane anisotropy separated by a variable thickness Ru layer. At a fixed frequency, we show that there is an avoided crossing of layer ferromagnetic resonance modes providing direct evidence for interlayer coupling. The mode dispersions for different Ru thicknesses are fit to a Heisenberg-type model to determine the interlayer exchange coupling strength and layer properties. The resulting interlayer exchange coupling varies continuously from antiferromagnetic to ferromagnetic as a function of the Ru interlayer thickness. These results show that the magnetic layer single domain ground state consists of magnetizations that can be significantly canted with respect to the layer planes and the canting can be tuned by varying the Ru thickness and the layer magnetic characteristics, a capability of interest for applications in spin-transfer torque devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Combined Brillouin light scattering and microwave absorption study of magnon-photon coupling in a split-ring resonator/YIG film system

Microfocused Brillouin light scattering (BLS) and microwave absorption (MA) are used to study magnon-photon coupling in a system consisting of a split-ring microwave resonator and an yttrium iron garnet (YIG) film. The split-ring resonator is defined by optical lithography and loaded with a 1 μm-thick YIG film grown by liquid phase epitaxy. BLS and MA spectra of the hybrid system are simultaneously recorded as a function of the applied magnetic field magnitude and microwave excitation frequency. Strong coupling of the magnon and microwave resonator modes is found with a coupling strength of g{sub eff} /2π = 63 MHz. The combined BLS and MA data allow us to study the continuous transition of the hybridized modes from a purely magnonic to a purely photonic mode by varying the applied magnetic field and microwave frequency. Furthermore, the BLS data represent an up-conversion of the microwave frequency coupling to optical frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Influence of coupling on thermal forces and dynamic friction in plasmas with multiple ion species

The recently proposed effective potential theory is used to investigate the influence of coupling on inter-ion-species diffusion and momentum exchange in multi-component plasmas. Thermo-diffusion and the thermal force are found to diminish rapidly as strong coupling onsets. We found that for the same coupling parameters, the dynamic friction coefficient there tends to be unity. Our results provide an impetus for addressing the role of coupling on diffusive processes in inertial confinement fusion experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Signatures of vibronic coupling in two-dimensional electronic-vibrational and vibrational-electronic spectroscopies

Two-Dimensional Electronic-Vibrational (2D EV) spectroscopy and Two-Dimensional Vibrational-Electronic (2D VE) spectroscopy are new coherent four-wave mixing spectroscopies that utilize both electronically resonant and vibrationally resonant field-matter interactions to elucidate couplings between electronic and vibrational degrees of freedom. Here, a system Hamiltonian is developed to lay a foundation for interpreting the 2D EV and 2D VE signals that arise from a vibronically coupled molecular system in the condensed phase. A molecular system consisting of one anharmonic vibration and two electronic states is modeled. Equilibrium displacement of the vibrational coordinate and vibrational frequency shifts upon excitation to the first electronic excited state are included in our Hamiltonian through linear and quadratic vibronic coupling terms. We explicitly consider the nuclear dependence of the electronic transition dipole moment and demonstrate that these spectroscopies are sensitive to non-Condon effects. A series of simulations of 2D EV and 2D VE spectra obtained by varying parameters of the system, system-bath, and interaction Hamiltonians demonstrate that one of the following conditions must be met to observe signals: (1) non-zero linear and/or quadratic vibronic coupling in the electronic excited state, (2) vibrational-coordinate dependence of the electronic transition dipole moment, or (3) electronic-state-dependent vibrational dephasing dynamics. We explore how these vibronic interactions are manifested in the positions, amplitudes, and line shapes of the peaks in 2D EV and 2D VE spectroscopies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Generalized parametrization methods for centroid and envelope dynamics of charged particle beams in coupled lattices

For almost 60 years, the well-known Courant-Snyder (CS) theory has been employed as the standard method to describe the uncoupled dynamics of charged particle beams in electromagnetic focusing lattices. Meanwhile, the generalization of the CS theory to coupled dynamics with two or more degrees of freedom has been attempted in numerous directions. The parametrization method developed by Qin and Davidson is particularly noteworthy, because their method enables the treatment of complicated coupled beam dynamics using a remarkably similar mathematical structure to that of the original CS theory. Here in this paper, we revisit the Qin-Davidson parametrization method and extend it to include beam centroid motions. The linear terms in the quadratic Hamiltonian for the coupled dynamics are handled by introducing a special time-dependent canonical transformation. In this manner, we show that the centroid dynamics is decoupled from the envelope dynamics, even for the cases of coupled lattice, and all formulations of the Qin-Davidson method can be applied in a straightforward manner.

43 PARTICLE ACCELERATORS↗