Nonadiabatic Response Model of Laser-Induced Ultrafast π-Electron Rotations in Chiral Aromatic Molecules

International Nuclear Information System (INIS)

Kanno, Manabu; Kono, Hirohiko; Fujimura, Yuichi; Lin, Sheng H.

2010-01-01

We theoretically investigated the nonadiabatic couplings between optically induced π-electron rotations and molecular vibrations in a chiral aromatic molecule irradiated by a nonhelical, linearly polarized laser pulse. The results of wave packet dynamics simulation show that the vibrational amplitudes strongly depend on the initial rotation direction, clockwise or counterclockwise, which is controlled by the polarization direction of the incident pulse. This suggests that attosecond π-electron rotations can be observed by spectroscopic detection of femtosecond molecular vibrations.

Generation of helical electron beams by a nonadiabatic gun

International Nuclear Information System (INIS)

Barroso, J.J.; Stellati, C.

1996-01-01

The design of a non-adiabatic gun to produce a 10A, 50kV hollow laminar electron beam for gyrotron applications is reported. The beam is extracted from the emitting ring in a direction parallel to the axial guide magnetic field and then propagates across the radial electric field in the anode gap. The electrons are thereby given a transverse velocity upon passing through the modulation anode region where an electrostatic pumping mechanism takes place, so that a considerable amount of the electron energy is converted to transverse kinetic energy. Such a beam extraction method gives rise to favourable features that are examined throughout the work. The dynamics of hollow electron beams with gyromotion propagating down a cylindrical drift tube are also analysed. Due to the action of the beam's self-space charge field, the transverse velocity spread has an oscillatory behaviour along the drift tube wherein the spatial automodulation period shortens with increasing current. Numerical simulation results indicate that even at a 10A beam current, the resulting transverse velocity spread is still less than the spread for a zero beam current. (UK)

Classical molecular dynamics simulation of electronically non-adiabatic processes.

Science.gov (United States)

Miller, William H; Cotton, Stephen J

2016-12-22

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

Nonadiabatic transition path sampling

International Nuclear Information System (INIS)

Sherman, M. C.; Corcelli, S. A.

2016-01-01

Fewest-switches surface hopping (FSSH) is combined with transition path sampling (TPS) to produce a new method called nonadiabatic path sampling (NAPS). The NAPS method is validated on a model electron transfer system coupled to a Langevin bath. Numerically exact rate constants are computed using the reactive flux (RF) method over a broad range of solvent frictions that span from the energy diffusion (low friction) regime to the spatial diffusion (high friction) regime. The NAPS method is shown to quantitatively reproduce the RF benchmark rate constants over the full range of solvent friction. Integrating FSSH within the TPS framework expands the applicability of both approaches and creates a new method that will be helpful in determining detailed mechanisms for nonadiabatic reactions in the condensed-phase.

Complex-valued derivative propagation method with approximate Bohmian trajectories: Application to electronic nonadiabatic dynamics

Science.gov (United States)

Wang, Yu; Chou, Chia-Chun

2018-05-01

The coupled complex quantum Hamilton-Jacobi equations for electronic nonadiabatic transitions are approximately solved by propagating individual quantum trajectories in real space. Equations of motion are derived through use of the derivative propagation method for the complex actions and their spatial derivatives for wave packets moving on each of the coupled electronic potential surfaces. These equations for two surfaces are converted into the moving frame with the same grid point velocities. Excellent wave functions can be obtained by making use of the superposition principle even when nodes develop in wave packet scattering.

The quantum dynamics of electronically nonadiabatic chemical reactions

Science.gov (United States)

Truhlar, Donald G.

1993-01-01

Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally

Classical analog for electronic degrees of freedom in nonadiabatic collision processes

International Nuclear Information System (INIS)

Meyer, H.; Miller, W.H.

1979-01-01

It is shown how a formally exact classical analog can be defined for a finite dimensional (in Hilbert space) quantum mechanical system. This approach is then used to obtain a classical model for the electronic degrees of freedom in a molecular collision system, and the combination of this with the usual classical description of the heavy particle (i.e., nuclear) motion provides a completely classical model for the electronic and heavy particle degrees of freedom. The resulting equations of motion are shown to be equivalent to describing the electronic degrees of freedom by the time-dependent Schroedinger equation, the time dependence arising from the classical motion of the nuclei, the trajectory of which is determined by the quantum mechanical average (i.e., Ehrenfest) force on the nuclei. Quantizing the system via classical S-matrix theory is shown to provide a dynamically consistent description of nonadiabatic collision processes; i.e., different electronic transitions have different heavy particle trajectories and, for example, the total energy of the electronic and heavy particle degrees of freedom is conserved. Application of this classical model for the electronic degrees of freedom (plus classical S-matrix theory) to the two-state model problem shows that the approach provides a good description of the electronic dynamics

Nonadiabatic two-electron transfer mediated by an irregular bridge

International Nuclear Information System (INIS)

Petrov, E.G.; Shevchenko, Ye.V.; May, V.

2004-01-01

Nonadiabatic two-electron transfer (TET) mediated by a linear molecular bridge is studied theoretically. Special attention is put on the case of a irregular distribution of bridge site energies as well as on the inter-site Coulomb interaction. Based on the unified description of electron transfer reactions [J. Chem. Phys. 115 (2001) 7107] a closed set of kinetic equations describing the TET process is derived. A reduction of this set to a single exponential donor-acceptor (D-A) TET is performed together with a derivation of an overall D-A TET rate. The latter contains a contribution of the stepwise as well as of the concerted route of D-A TET. The stepwise contribution is determined by two single-electron steps each of them associated with a sequential and a superexchange pathway. A two-electron unistep superexchange transition between the D and A forms the concerted contribution to the overall rate. Both contributions are analyzed in their dependency on the bridge length. The irregular distribution of the bridge site energies as well as the influence of the Coulomb interaction facilitates the D-A TET via a modification of the stepwise and the concerted part of the overall rate. At low temperatures and for short bridges with a single or two units the concerted contribution exceeds the stepwise contribution. If the bridge contains more than two units, the stepwise contribution dominates the overall rate

Unified semiclassical theory for the two-state system: an analytical solution for general nonadiabatic tunneling.

Science.gov (United States)

Zhu, Chaoyuan; Lin, Sheng Hsien

2006-07-28

Unified semiclasical solution for general nonadiabatic tunneling between two adiabatic potential energy surfaces is established by employing unified semiclassical solution for pure nonadiabatic transition [C. Zhu, J. Chem. Phys. 105, 4159 (1996)] with the certain symmetry transformation. This symmetry comes from a detailed analysis of the reduced scattering matrix for Landau-Zener type of crossing as a special case of nonadiabatic transition and nonadiabatic tunneling. Traditional classification of crossing and noncrossing types of nonadiabatic transition can be quantitatively defined by the rotation angle of adiabatic-to-diabatic transformation, and this rotational angle enters the analytical solution for general nonadiabatic tunneling. The certain two-state exponential potential models are employed for numerical tests, and the calculations from the present general nonadiabatic tunneling formula are demonstrated in very good agreement with the results from exact quantum mechanical calculations. The present general nonadiabatic tunneling formula can be incorporated with various mixed quantum-classical methods for modeling electronically nonadiabatic processes in photochemistry.

Non-Adiabatic Molecular Dynamics Methods for Materials Discovery

Energy Technology Data Exchange (ETDEWEB)

Furche, Filipp [Univ. of California, Irvine, CA (United States); Parker, Shane M. [Univ. of California, Irvine, CA (United States); Muuronen, Mikko J. [Univ. of California, Irvine, CA (United States); Roy, Saswata [Univ. of California, Irvine, CA (United States)

2017-04-04

The flow of radiative energy in light-driven materials such as photosensitizer dyes or photocatalysts is governed by non-adiabatic transitions between electronic states and cannot be described within the Born-Oppenheimer approximation commonly used in electronic structure theory. The non-adiabatic molecular dynamics (NAMD) methods based on Tully surface hopping and time-dependent density functional theory developed in this project have greatly extended the range of molecular materials that can be tackled by NAMD simulations. New algorithms to compute molecular excited state and response properties efficiently were developed. Fundamental limitations of common non-linear response methods were discovered and characterized. Methods for accurate computations of vibronic spectra of materials such as black absorbers were developed and applied. It was shown that open-shell TDDFT methods capture bond breaking in NAMD simulations, a longstanding challenge for single-reference molecular dynamics simulations. The methods developed in this project were applied to study the photodissociation of acetaldehyde and revealed that non-adiabatic effects are experimentally observable in fragment kinetic energy distributions. Finally, the project enabled the first detailed NAMD simulations of photocatalytic water oxidation by titania nanoclusters, uncovering the mechanism of this fundamentally important reaction for fuel generation and storage.

Transitionless driving on adiabatic search algorithm

Energy Technology Data Exchange (ETDEWEB)

Oh, Sangchul, E-mail: soh@qf.org.qa [Qatar Environment and Energy Research Institute, Qatar Foundation, Doha (Qatar); Kais, Sabre, E-mail: kais@purdue.edu [Qatar Environment and Energy Research Institute, Qatar Foundation, Doha (Qatar); Department of Chemistry, Department of Physics and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States)

2014-12-14

We study quantum dynamics of the adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolution is studied and visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the non-adiabatic transition probability from exponential decay for the short running time to inverse-square decay in asymptotic running time. The scaling of the critical running time is expressed in terms of the Lambert W function. We derive the transitionless driving Hamiltonian for the adiabatic search algorithm, which makes a quantum state follow the adiabatic path. We demonstrate that a uniform transitionless driving Hamiltonian, approximate to the exact time-dependent driving Hamiltonian, can alter the non-adiabatic transition probability from the inverse square decay to the inverse fourth power decay with the running time. This may open up a new but simple way of speeding up adiabatic quantum dynamics.

Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.

Science.gov (United States)

Curchod, Basile F E; Rothlisberger, Ursula; Tavernelli, Ivano

2013-05-10

Understanding the fate of an electronically excited molecule constitutes an important task for theoretical chemistry, and practical implications range from the interpretation of atto- and femtosecond spectroscopy to the development of light-driven molecular machines, the control of photochemical reactions, and the possibility of capturing sunlight energy. However, many challenging conceptual and technical problems are involved in the description of these phenomena such as 1) the failure of the well-known Born-Oppenheimer approximation; 2) the need for accurate electronic properties such as potential energy surfaces, excited nuclear forces, or nonadiabatic coupling terms; and 3) the necessity of describing the dynamics of the photoexcited nuclear wavepacket. This review provides an overview of the current methods to address points 1) and 3) and shows how time-dependent density functional theory (TDDFT) and its linear-response extension can be used for point 2). First, the derivation of Ehrenfest dynamics and nonadiabatic Bohmian dynamics is discussed and linked to Tully's trajectory surface hopping. Second, the coupling of these trajectory-based nonadiabatic schemes with TDDFT is described in detail with special emphasis on the derivation of the required electronic structure properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Science.gov (United States)

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

Electron-Mediated Phonon-Phonon Coupling Drives the Vibrational Relaxation of CO on Cu(100)

Science.gov (United States)

Novko, D.; Alducin, M.; Juaristi, J. I.

2018-04-01

We bring forth a consistent theory for the electron-mediated vibrational intermode coupling that clarifies the microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces. Our analysis points out the inability of state-of-the-art nonadiabatic theories to quantitatively reproduce the experimental linewidth of the CO internal stretch mode on Cu(100) and it emphasizes the crucial role of the electron-mediated phonon-phonon coupling in this regard. The results demonstrate a strong electron-mediated coupling between the internal stretch and low-energy CO modes, but also a significant role of surface motion. Our nonadiabatic theory is also able to explain the temperature dependence of the internal stretch phonon linewidth, thus far considered a sign of the direct anharmonic coupling.

Nonadiabatic three-neutrino oscillations in matter

International Nuclear Information System (INIS)

DOlivo, J.C.; Oteo, J.A.

1996-01-01

Oscillations of three neutrinos in matter are analyzed by using the Magnus expansion for the time-evolution operator. We derive a simple expression for the electron-neutrino survival probability which is applied to the examination of the effect of a third neutrino on the nonadiabatic flavor transformations. copyright 1996 The American Physical Society

Sequential nonadiabatic excitation of large molecules and ions driven by strong laser fields

International Nuclear Information System (INIS)

Markevitch, Alexei N.; Levis, Robert J.; Romanov, Dmitri A.; Smith, Stanley M.; Schlegel, H. Bernhard; Ivanov, Misha Yu.

2004-01-01

Electronic processes leading to dissociative ionization of polyatomic molecules in strong laser fields are investigated experimentally, theoretically, and numerically. Using time-of-flight ion mass spectroscopy, we study the dependence of fragmentation on laser intensity for a series of related molecules and report regular trends in this dependence on the size, symmetry, and electronic structure of a molecule. Based on these data, we develop a model of dissociative ionization of polyatomic molecules in intense laser fields. The model is built on three elements: (i) nonadiabatic population transfer from the ground electronic state to the excited-state manifold via a doorway (charge-transfer) transition; (ii) exponential enhancement of this transition by collective dynamic polarization of all electrons, and (iii) sequential energy deposition in both neutral molecules and resulting molecular ions. The sequential nonadiabatic excitation is accelerated by a counterintuitive increase of a large molecule's polarizability following its ionization. The generic theory of sequential nonadiabatic excitation forms a basis for quantitative description of various nonlinear processes in polyatomic molecules and ions in strong laser fields

Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions

International Nuclear Information System (INIS)

Hatcher, Elizabeth; Soudackov, Alexander; Hammes-Schiffer, Sharon

2005-01-01

The dynamical aspects of a model proton-coupled electron transfer (PCET) reaction in solution are analyzed with molecular dynamics simulations. The rate for nonadiabatic PCET is expressed in terms of a time-dependent probability flux correlation function. The impact of the proton donor-acceptor and solvent dynamics on the probability flux is examined. The dynamical behavior of the probability flux correlation function is dominated by a solvent damping term that depends on the energy gap correlation function. The proton donor-acceptor motion does not impact the dynamical behavior of the probability flux correlation function but does influence the magnitude of the rate. The approximations previously invoked for the calculation of PCET rates are tested. The effects of solvent damping on the proton donor-acceptor vibrational motion are found to be negligible, and the short-time solvent approximation, in which only equilibrium fluctuations of the solvent are considered, is determined to be valid for these types of reactions. The analysis of PCET reactions is compared to previous analyses of single electron and proton transfer reactions. The dynamical behavior is qualitatively similar for all three types of reactions, but the time scale of the decay of the probability flux correlation function is significantly longer for single proton transfer than for PCET and single electron transfer due to a smaller solvent reorganization energy for proton transfer

Nonadiabatic Ponderomotive Potentials

International Nuclear Information System (INIS)

Dodin IY, Fisch NJ

2005-01-01

An approximate integral of the Manley-Rowe type is found for a particle moving in a high-frequency field, which may interact resonantly with natural particle oscillations. An effective ponderomotive potential is introduced accordingly and can capture nonadiabatic particle dynamics. We show that nonadiabatic ponderomotive barriers can trap classical particles, produce cooling effect, and generate one-way walls for resonant species. Possible atomic applications are also envisioned

Nonadiabatic dynamics with intersystem crossings: A time-dependent density functional theory implementation

Energy Technology Data Exchange (ETDEWEB)

Franco de Carvalho, F. [Centre Européen de Calcul Atomique et Moléculaire, Ecole Polytechnique Fédérale de Lausanne, Lausanne (Switzerland); Tavernelli, I. [IBM Research GmbH, Zurich Research Laboratory, 8803 Ruschlikon (Switzerland)

2015-12-14

In this work, we derive a method to perform trajectory-based nonadiabatic dynamics that is able to describe both nonadiabatic transitions and intersystem crossing events (transitions between states of different spin-multiplicity) at the same level of theory, namely, time-dependent density functional theory (TDDFT). To this end, we combined our previously developed TDDFT-based trajectory surface hopping scheme with an accurate and efficient algorithm for the calculation of the spin-orbit coupling (SOC) matrix elements. More specifically, we designed two algorithms for the calculation of intersystem crossing transitions, one based on an extended Tully’s surface hopping scheme including SOC and the second based on a Landau-Zener approximation applied to the spin sector of the electronic Hilbert space. This development allows for the design of an efficient on-the-fly nonadiabatic approach that can handle, on an equal footing, nonadiabatic and intersystem crossing transitions. The method is applied to the study of the photophysics of sulfur dioxide (SO{sub 2}) in gas and liquid phases.

Electron Drift Speed And Current-Induced Drive Torques On A Domain Wall

Science.gov (United States)

Berger, Luc

2009-03-01

It has become fashionable to describe [1] current-induced torques on a DW in terms of an electron drift speed u = - P*j*muB/e*M where muB is the Bohr magneton and M the saturation magnetization. While appropriate for adiabatic torques, this quantity u is misleading and not the best choice in the case of non-adiabatic torques. For example, it leads [2] to beta not equal to alpha, where beta represents the intensity of the non-adiabatic torque, and alpha is the damping parameter. By writing equations of motion for conduction- electron spins in a moving frame where the electron gas is at rest, we find [3] a direct relation between damping and non- adiabatic torques. The correct electron drift speed turns out to be the speed of the frame, and is v = P*j/(n*q) where n and q are the carrier density and charge. It is related to the ordinary Hall constant R0 by v P*R0*j. After substituting v for u in the expression of the non-adiabatic torque, we find that beta = alpha holds now. Because v is larger than u in Permalloy, it can explain better the large current-induced DW speeds found [4] experimentally. In materials where R0> 0 and the carriers are dominantly hole-like, v and u have opposite signs, leading to different predictions for the sense of DW motion. We discuss examples of such materials. 1. G. Tatara and H. Kohno, Phys. Rev. Lett. 92, 086601 (2004). 2. H. Kohno et al., J. Phys. Soc. Japan, 75, 113706 (2006). 3. L. Berger, Phys. Rev. B 75, 174401 (2007). 4. M. Hayashi et al., Phys. Rev. Lett. 98, 037204 (2007).

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

Science.gov (United States)

Humeniuk, Alexander; Mitrić, Roland

2017-12-01

A software package, called DFTBaby, is published, which provides the electronic structure needed for running non-adiabatic molecular dynamics simulations at the level of tight-binding DFT. A long-range correction is incorporated to avoid spurious charge transfer states. Excited state energies, their analytic gradients and scalar non-adiabatic couplings are computed using tight-binding TD-DFT. These quantities are fed into a molecular dynamics code, which integrates Newton's equations of motion for the nuclei together with the electronic Schrödinger equation. Non-adiabatic effects are included by surface hopping. As an example, the program is applied to the optimization of excited states and non-adiabatic dynamics of polyfluorene. The python and Fortran source code is available at http://www.dftbaby.chemie.uni-wuerzburg.de.

Dynamical mechanism of charge separation by photoexcited generation of proton–electron pairs in organic molecular systems. A nonadiabatic electron wavepacket dynamics study

Energy Technology Data Exchange (ETDEWEB)

Yamamoto, Kentaro, E-mail: kyamamoto@fukui.kyoto-u.ac.jp; Takatsuka, Kazuo, E-mail: kaztak@fukui.kyoto-u.ac.jp

2016-08-22

Graphical abstract: Asymptotic biradical state produced by the excited-state coupled proton–electron transfer (CPET), resulting in charge separation (proton–electron pair creation) on a proton–electron acceptor A, in a series of photochemical systems generally denoted as X–Mn–OH{sub 2}⋯A, where X = (OH, Ca(OH){sub 3}) and A = (N-methylformamidine, guanidine, imidazole, or ammonia clusters). - Abstract: In this perspective article, we review, along with presenting new results, a series of our theoretical analyses on the excited-state mechanism of charge separation (proton–electron pair creation) relevant to the photoinduced water-splitting reaction (2H{sub 2}O → 4H{sup +} + 4e{sup −} + O{sub 2}) in organic and biological systems, which quite often includes Mn clusters in various molecular configurations. The present mechanism is conceived to be universal in the triggering process of the photoexcited water splitting dynamics. In other words, any Mn-based catalytic charge separation is quite likely to be initiated according to this mechanism. As computationally tractable yet realistic models, we examine a series of systems generally expressed as X–Mn–OH{sub 2}⋯A, where X = (OH, Ca(OH){sub 3}) and A = (N-methylformamidine, guanidine, imidazole or ammonia cluster) in terms of the theory of nonadiabatic electron wavepacket dynamics. We first find both an electron and a proton are simultaneously transferred to the acceptors through conical intersections upon photoexcitation. In this mechanism, the electron takes different pathways from that of the proton and reaches the densely lying Rydberg-like states of the acceptors in the end, thereby inducing charge separation. Therefore the presence of the Rydberg-like diffused unoccupied states as an electron acceptor is critical for this reaction to proceed. We also have found another crucial nonadiabatic process that deteriorates the efficiency of charge separation by rendering the created pair of proton

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics.

Science.gov (United States)

Crespo-Otero, Rachel; Barbatti, Mario

2018-05-16

Nonadiabatic mixed quantum-classical (NA-MQC) dynamics methods form a class of computational theoretical approaches in quantum chemistry tailored to investigate the time evolution of nonadiabatic phenomena in molecules and supramolecular assemblies. NA-MQC is characterized by a partition of the molecular system into two subsystems: one to be treated quantum mechanically (usually but not restricted to electrons) and another to be dealt with classically (nuclei). The two subsystems are connected through nonadiabatic couplings terms to enforce self-consistency. A local approximation underlies the classical subsystem, implying that direct dynamics can be simulated, without needing precomputed potential energy surfaces. The NA-MQC split allows reducing computational costs, enabling the treatment of realistic molecular systems in diverse fields. Starting from the three most well-established methods-mean-field Ehrenfest, trajectory surface hopping, and multiple spawning-this review focuses on the NA-MQC dynamics methods and programs developed in the last 10 years. It stresses the relations between approaches and their domains of application. The electronic structure methods most commonly used together with NA-MQC dynamics are reviewed as well. The accuracy and precision of NA-MQC simulations are critically discussed, and general guidelines to choose an adequate method for each application are delivered.

Non-adiabatic perturbations in multi-component perfect fluids

Energy Technology Data Exchange (ETDEWEB)

Koshelev, N.A., E-mail: koshna71@inbox.ru [Ulyanovsk State University, Leo Tolstoy str 42, 432970 (Russian Federation)

2011-04-01

The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.

Non-adiabatic perturbations in multi-component perfect fluids

International Nuclear Information System (INIS)

Koshelev, N.A.

2011-01-01

The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models

Quantum-classical correspondence in steady states of nonadiabatic systems

International Nuclear Information System (INIS)

Fujii, Mikiya; Yamashita, Koichi

2015-01-01

We first present nonadiabatic path integral which is exact formulation of quantum dynamics in nonadiabatic systems. Then, by applying the stationary phase approximations to the nonadiabatic path integral, a semiclassical quantization condition, i.e., quantum-classical correspondence, for steady states of nonadiabatic systems is presented as a nonadiabatic trace formula. The present quantum-classical correspondence indicates that a set of primitive hopping periodic orbits, which are invariant under time evolution in the phase space of the slow degree of freedom, should be quantized. The semiclassical quantization is then applied to a simple nonadiabatic model and accurately reproduces exact quantum energy levels

Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chloride

International Nuclear Information System (INIS)

Valero, Rosendo; Truhlar, Donald G.

2006-01-01

Bromoacetyl chloride photodissociation has been interpreted as a paradigmatic example of a process in which nonadiabatic effects play a major role. In molecular beam experiments by Butler and co-workers [J. Chem. Phys. 95, 3848 (1991); J. Chem. Phys. 97, 355 (1992)], BrCH 2 C(O)Cl was prepared in its ground electronic state (S 0 ) and excited with a laser at 248 nm to its first excited singlet state (S 1 ). The two main ensuing photoreactions are the ruptures of the C-Cl bond and of the C-Br bond. A nonadiabatic model was proposed in which the C-Br scission is strongly suppressed due to nonadiabatic recrossing at the barrier formed by the avoided crossing between the S 1 and S 2 states. Recent reduced-dimensional dynamical studies lend support to this model. However, another interpretation that has been given for the experimental results is that the reduced probability of C-Br scission is a consequence of incomplete intramolecular energy redistribution. To provide further insight into this problem, we have studied the energetically lowest six singlet electronic states of bromoacetyl chloride by using an ab initio multiconfigurational perturbative electronic structure method. Stationary points (minima and saddle points) and minimum energy paths have been characterized on the S 0 and S 1 potential energy surfaces. The fourfold way diabatization method has been applied to transform five adiabatic excited electronic states to a diabatic representation. The diabatic potential energy matrix of the first five excited singlet states has been constructed along several cuts of the potential energy hypersurfaces. The thermochemistry of the photodissociation reactions and a comparison with experimental translational energy distributions strongly suggest that nonadiabatic effects dominate the C-Br scission, but that the reaction proceeds along the energetically allowed diabatic pathway to excited-state products instead of being nonadiabatically suppressed. This conclusion is

Nonadiabatic transitions in electrostatically trapped ammonia molecules

International Nuclear Information System (INIS)

Kirste, Moritz; Schnell, Melanie; Meijer, Gerard; Sartakov, Boris G.

2009-01-01

Nonadiabatic transitions are known to be major loss channels for atoms in magnetic traps but have thus far not been experimentally reported upon for trapped molecules. We have observed and quantified losses due to nonadiabatic transitions for three isotopologues of ammonia in electrostatic traps by comparing the trapping times in traps with a zero and a nonzero electric field at the center. Nonadiabatic transitions are seen to dominate the overall loss rate even for the present samples that are at relatively high temperatures of 30 mK. It is anticipated that losses due to nonadiabatic transitions in electric fields are omnipresent in ongoing experiments on cold molecules.

State-to-state time-of-flight measurements of NO scattering from Au(111): direct observation of translation-to-vibration coupling in electronically nonadiabatic energy transfer.

Science.gov (United States)

Golibrzuch, Kai; Shirhatti, Pranav R; Altschäffel, Jan; Rahinov, Igor; Auerbach, Daniel J; Wodtke, Alec M; Bartels, Christof

2013-09-12

Translational motion is believed to be a spectator degree of freedom in electronically nonadiabatic vibrational energy transfer between molecules and metal surfaces, but the experimental evidence available to support this view is limited. In this work, we have experimentally determined the translational inelasticity in collisions of NO molecules with a single-crystal Au(111) surface-a system with strong electronic nonadiabaticity. State-to-state molecular beam surface scattering was combined with an IR-UV double resonance scheme to obtain high-resolution time-of-flight data. The measurements include vibrationally elastic collisions (v = 3→3, 2→2) as well as collisions where one or two quanta of molecular vibration are excited (2→3, 2→4) or de-excited (2→1, 3→2, 3→1). In addition, we have carried out comprehensive measurements of the effects of rotational excitation on the translational energy of the scattered molecules. We find that under all conditions of this work, the NO molecules lose a large fraction (∼0.45) of their incidence translational energy to the surface. Those molecules that undergo vibrational excitation (relaxation) during the collision recoil slightly slower (faster) than vibrationally elastically scattered molecules. The amount of translational energy change depends on the surface temperature. The translation-to-rotation coupling, which is well-known for v = 0→0 collisions, is found to be significantly weaker for vibrationally inelastic than elastic channels. Our results clearly show that the spectator view of the translational motion in electronically nonadiabatic vibrational energy transfer between NO and Au(111) is only approximately correct.

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

Energy Technology Data Exchange (ETDEWEB)

Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy; Champion, Paul M., E-mail: champ@neu.edu [Department of Physics and Center for Interdisciplinary Research on Complex Systems,Northeastern University, Boston, Massachusetts 02115 (United States)

2015-03-21

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

Nonadiabatic Dynamics for Electrons at Second-Order: Real-Time TDDFT and OSCF2.

Science.gov (United States)

Nguyen, Triet S; Parkhill, John

2015-07-14

We develop a new model to simulate nonradiative relaxation and dephasing by combining real-time Hartree-Fock and density functional theory (DFT) with our recent open-systems theory of electronic dynamics. The approach has some key advantages: it has been systematically derived and properly relaxes noninteracting electrons to a Fermi-Dirac distribution. This paper combines the new dissipation theory with an atomistic, all-electron quantum chemistry code and an atom-centered model of the thermal environment. The environment is represented nonempirically and is dependent on molecular structure in a nonlocal way. A production quality, O(N(3)) closed-shell implementation of our theory applicable to realistic molecular systems is presented, including timing information. This scaling implies that the added cost of our nonadiabatic relaxation model, time-dependent open self-consistent field at second order (OSCF2), is computationally inexpensive, relative to adiabatic propagation of real-time time-dependent Hartree-Fock (TDHF) or time-dependent density functional theory (TDDFT). Details of the implementation and numerical algorithm, including factorization and efficiency, are discussed. We demonstrate that OSCF2 approaches the stationary self-consistent field (SCF) ground state when the gap is large relative to k(b)T. The code is used to calculate linear-response spectra including the effects of bath dynamics. Finally, we show how our theory of finite-temperature relaxation can be used to correct ground-state DFT calculations.

Between ethylene and polyenes--the non-adiabatic dynamics of cis-dienes

DEFF Research Database (Denmark)

Kuhlman, Thomas Scheby; Glover, William J; Mori, Toshifumi

2012-01-01

Using Ab Initio Multiple Spawning (AIMS) with a Multi-State Multi-Reference Perturbation theory (MS-MR-CASPT2) treatment of the electronic structure, we have simulated the non-adiabatic excited state dynamics of cyclopentadiene (CPD) and 1,2,3,4-tetramethyl-cyclopentadiene (Me4-CPD) following exc...

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

Science.gov (United States)

Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.

2018-03-01

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states

Energy Technology Data Exchange (ETDEWEB)

Nelson, Tammie [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Naumov, Artem [Skolkovo Institute of Science and Technology, Moscow 143026 (Russian Federation); Fernandez-Alberti, Sebastian [Universidad Nacional de Quilmes, Roque Saenz Pea 352, B1876BXD Bernal (Argentina); Tretiak, Sergei, E-mail: serg@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2016-12-20

The simulation of nonadiabatic dynamics in extended molecular systems involving hundreds of atoms and large densities of states is particularly challenging. Nonadiabatic coupling terms (NACTs) represent a significant numerical bottleneck in surface hopping approaches. Rather than using unreliable NACT cutting schemes, here we develop “on-the-fly” state limiting methods to eliminate states that are no longer essential for the non-radiative relaxation dynamics as a trajectory proceeds. We propose a state number criteria and an energy-based state limit. The latter is more physically relevant by requiring a user-imposed energy threshold. For this purpose, we introduce a local kinetic energy gauge by summing contributions from atoms within the spatial localization of the electronic wavefunction to define the energy available for upward hops. The proposed state limiting schemes are implemented within the nonadiabatic excited-state molecular dynamics framework to simulate photoinduced relaxation in poly-phenylene vinylene (PPV) and branched poly-phenylene ethynylene (PPE) oligomers for benchmark evaluation.

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography.

Science.gov (United States)

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C D; Chen, Jing

2016-06-22

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules.

Multiple coupled landscapes and non-adiabatic dynamics with applications to self-activating genes.

Science.gov (United States)

Chen, Cong; Zhang, Kun; Feng, Haidong; Sasai, Masaki; Wang, Jin

2015-11-21

Many physical, chemical and biochemical systems (e.g. electronic dynamics and gene regulatory networks) are governed by continuous stochastic processes (e.g. electron dynamics on a particular electronic energy surface and protein (gene product) synthesis) coupled with discrete processes (e.g. hopping among different electronic energy surfaces and on and off switching of genes). One can also think of the underlying dynamics as the continuous motion on a particular landscape and discrete hoppings among different landscapes. The main difference of such systems from the intra-landscape dynamics alone is the emergence of the timescale involved in transitions among different landscapes in addition to the timescale involved in a particular landscape. The adiabatic limit when inter-landscape hoppings are fast compared to continuous intra-landscape dynamics has been studied both analytically and numerically, but the analytical treatment of the non-adiabatic regime where the inter-landscape hoppings are slow or comparable to continuous intra-landscape dynamics remains challenging. In this study, we show that there exists mathematical mapping of the dynamics on 2(N) discretely coupled N continuous dimensional landscapes onto one single landscape in 2N dimensional extended continuous space. On this 2N dimensional landscape, eddy current emerges as a sign of non-equilibrium non-adiabatic dynamics and plays an important role in system evolution. Many interesting physical effects such as the enhancement of fluctuations, irreversibility, dissipation and optimal kinetics emerge due to non-adiabaticity manifested by the eddy current illustrated for an N = 1 self-activator. We further generalize our theory to the N-gene network with multiple binding sites and multiple synthesis rates for discretely coupled non-equilibrium stochastic physical and biological systems.

Semiclassical quantization of nonadiabatic systems with hopping periodic orbits

International Nuclear Information System (INIS)

Fujii, Mikiya; Yamashita, Koichi

2015-01-01

We present a semiclassical quantization condition, i.e., quantum–classical correspondence, for steady states of nonadiabatic systems consisting of fast and slow degrees of freedom (DOFs) by extending Gutzwiller’s trace formula to a nonadiabatic form. The quantum–classical correspondence indicates that a set of primitive hopping periodic orbits, which are invariant under time evolution in the phase space of the slow DOF, should be quantized. The semiclassical quantization is then applied to a simple nonadiabatic model and accurately reproduces exact quantum energy levels. In addition to the semiclassical quantization condition, we also discuss chaotic dynamics involved in the classical limit of nonadiabatic dynamics

Non-adiabatic perturbations in Ricci dark energy model

International Nuclear Information System (INIS)

Karwan, Khamphee; Thitapura, Thiti

2012-01-01

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

Nonadiabatic dynamics in intense continuous wave laser fields and real-time observation of the associated wavepacket bifurcation in terms of spectrogram of induced photon emission.

Science.gov (United States)

Mizuno, Yuta; Arasaki, Yasuki; Takatsuka, Kazuo

2016-11-14

We propose a theoretical principle to directly monitor the bifurcation of quantum wavepackets passing through nonadiabatic regions of a molecule that is placed in intense continuous wave (CW) laser fields. This idea makes use of the phenomenon of laser-driven photon emission from molecules that can undergo nonadiabatic transitions between ionic and covalent potential energy surfaces like Li + F - and LiF. The resultant photon emission spectra are of anomalous yet characteristic frequency and intensity, if pumped to an energy level in which the nonadiabatic region is accessible and placed in a CW laser field. The proposed method is designed to take the time-frequency spectrogram with an appropriate time-window from this photon emission to detect the time evolution of the frequency and intensity, which depends on the dynamics and location of the relevant nuclear wavepackets. This method is specifically designed for the study of dynamics in intense CW laser fields and is rather limited in scope than other techniques for femtosecond chemical dynamics in vacuum. The following characteristic features of dynamics can be mapped onto the spectrogram: (1) the period of driven vibrational motion (temporally confined vibrational states in otherwise dissociative channels, the period and other states of which dramatically vary depending on the CW driving lasers applied), (2) the existence of multiple nuclear wavepackets running individually on the field-dressed potential energy surfaces, (3) the time scale of coherent interaction between the nuclear wavepackets running on ionic and covalent electronic states after their branching (the so-called coherence time in the terminology of the theory of nonadiabatic interaction), and so on.

An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

Science.gov (United States)

Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander

2015-09-28

We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

Scattering of a proton with the Li{sub 4} cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory

Energy Technology Data Exchange (ETDEWEB)

Castro, A., E-mail: acastro@bifi.es [Institute for Biocomputation and Physics of Complex Systems (BIFI) and Zaragoza Scientific Center for Advanced Modelling (ZCAM), University of Zaragoza, 50018 Zaragoza (Spain); Isla, M. [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, 47005 Valladolid (Spain); Martinez, Jose I. [Departamento de Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid, ES-28049 Madrid (Spain); Alonso, J.A. [Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, 47005 Valladolid (Spain)

2012-05-03

Graphical abstract: Two trajectories for the collision of a proton with the Lithium tetramer. On the left, the proton is scattered away, and a Li{sub 2} molecule plus two isolated Lithium atoms result. On the right, the proton is captured and a LiH molecule is created. Highlights: Black-Right-Pointing-Pointer Scattering of a proton with Lithium clusters described from first principles. Black-Right-Pointing-Pointer Description based on non-adiabatic molecular dynamics. Black-Right-Pointing-Pointer The electronic structure is described with time-dependent density-functional theory. Black-Right-Pointing-Pointer The method allows to discern reaction channels depending on initial parameters. - Abstract: We have employed non-adiabatic molecular dynamics based on time-dependent density-functional theory to characterize the scattering behavior of a proton with the Li{sub 4} cluster. This technique assumes a classical approximation for the nuclei, effectively coupled to the quantum electronic system. This time-dependent theoretical framework accounts, by construction, for possible charge transfer and ionization processes, as well as electronic excitations, which may play a role in the non-adiabatic regime. We have varied the incidence angles in order to analyze the possible reaction patterns. The initial proton kinetic energy of 10 eV is sufficiently high to induce non-adiabatic effects. For all the incidence angles considered the proton is scattered away, except in one interesting case in which one of the Lithium atoms captures it, forming a LiH molecule. This theoretical formalism proves to be a powerful, effective and predictive tool for the analysis of non-adiabatic processes at the nanoscale.

An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications.

Science.gov (United States)

Du, Likai; Lan, Zhenggang

2015-04-14

Nonadiabatic dynamics simulations have rapidly become an indispensable tool for understanding ultrafast photochemical processes in complex systems. Here, we present our recently developed on-the-fly nonadiabatic dynamics package, JADE, which allows researchers to perform nonadiabatic excited-state dynamics simulations of polyatomic systems at an all-atomic level. The nonadiabatic dynamics is based on Tully's surface-hopping approach. Currently, several electronic structure methods (CIS, TDHF, TDDFT(RPA/TDA), and ADC(2)) are supported, especially TDDFT, aiming at performing nonadiabatic dynamics on medium- to large-sized molecules. The JADE package has been interfaced with several quantum chemistry codes, including Turbomole, Gaussian, and Gamess (US). To consider environmental effects, the Langevin dynamics was introduced as an easy-to-use scheme into the standard surface-hopping dynamics. The JADE package is mainly written in Fortran for greater numerical performance and Python for flexible interface construction, with the intent of providing open-source, easy-to-use, well-modularized, and intuitive software in the field of simulations of photochemical and photophysical processes. To illustrate the possible applications of the JADE package, we present a few applications of excited-state dynamics for various polyatomic systems, such as the methaniminium cation, fullerene (C20), p-dimethylaminobenzonitrile (DMABN) and its primary amino derivative aminobenzonitrile (ABN), and 10-hydroxybenzo[h]quinoline (10-HBQ).

Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Makhov, Dmitry V.; Shalashilin, Dmitrii V. [Department of Chemistry, University of Leeds, Leeds LS2 9JT (United Kingdom); Glover, William J.; Martinez, Todd J. [Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA and SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

2014-08-07

We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

Enhanced Nonadiabaticity in Vortex Cores due to the Emergent Hall Effect

KAUST Repository

Bisig, André

2017-01-04

We present a combined theoretical and experimental study, investigating the origin of the enhanced nonadiabaticity of magnetic vortex cores. Scanning transmission x-ray microscopy is used to image the vortex core gyration dynamically to measure the nonadiabaticity with high precision, including a high confidence upper bound. We show theoretically, that the large nonadiabaticity parameter observed experimentally can be explained by the presence of local spin currents arising from a texture induced emergent Hall effect. This study demonstrates that the magnetic damping α and nonadiabaticity parameter β are very sensitive to the topology of the magnetic textures, resulting in an enhanced ratio (β/α>1) in magnetic vortex cores or Skyrmions.

Enhanced Nonadiabaticity in Vortex Cores due to the Emergent Hall Effect

KAUST Repository

Bisig, André ; Akosa, Collins Ashu; Moon, Jung-Hwan; Rhensius, Jan; Moutafis, Christoforos; von Bieren, Arndt; Heidler, Jakoba; Kiliani, Gillian; Kammerer, Matthias; Curcic, Michael; Weigand, Markus; Tyliszczak, Tolek; Van Waeyenberge, Bartel; Stoll, Hermann; Schü tz, Gisela; Lee, Kyung-Jin; Manchon, Aurelien; Klä ui, Mathias

2017-01-01

We present a combined theoretical and experimental study, investigating the origin of the enhanced nonadiabaticity of magnetic vortex cores. Scanning transmission x-ray microscopy is used to image the vortex core gyration dynamically to measure the nonadiabaticity with high precision, including a high confidence upper bound. We show theoretically, that the large nonadiabaticity parameter observed experimentally can be explained by the presence of local spin currents arising from a texture induced emergent Hall effect. This study demonstrates that the magnetic damping α and nonadiabaticity parameter β are very sensitive to the topology of the magnetic textures, resulting in an enhanced ratio (β/α>1) in magnetic vortex cores or Skyrmions.

Electron-beam direct drive for rf accelerator cavities

International Nuclear Information System (INIS)

Nahemow, M.D.; Humphries, S. Jr.

1987-01-01

This paper describes a Program to Demonstrate Electron-Beam Direct Drive for Radio Frequency (RF) Linear Accelerators at the Westinghouse R and D Center. The experimental program was undertaken using an existing electron beam facility at the Westinghouse R and C Center to demonstrate the potential of the Direct Drive RF Cavities for High Power Beams concept discussed as part of a program to develop a viable alternate concept for driving RF linear accelerators

A finite-element visualization of quantum reactive scattering. II. Nonadiabaticity on coupled potential energy surfaces

Energy Technology Data Exchange (ETDEWEB)

Warehime, Mick [Chemical Physics Program, University of Maryland, College Park, Maryland 20742-2021 (United States); Kłos, Jacek; Alexander, Millard H., E-mail: mha@umd.edu [Department of Chemistry and Biochemistry and Institute of Physical Science and Technology, University of Maryland, College Park, Maryland 20742-2021 (United States)

2015-01-21

This is the second in a series of papers detailing a MATLAB based implementation of the finite element method applied to collinear triatomic reactions. Here, we extend our previous work to reactions on coupled potential energy surfaces. The divergence of the probability current density field associated with the two electronically adiabatic states allows us to visualize in a novel way where and how nonadiabaticity occurs. A two-dimensional investigation gives additional insight into nonadiabaticity beyond standard one-dimensional models. We study the F({sup 2}P) + HCl and F({sup 2}P) + H{sub 2} reactions as model applications. Our publicly available code (http://www2.chem.umd.edu/groups/alexander/FEM) is general and easy to use.

Theory of fast (nonadiabatic) nuclear rotation

International Nuclear Information System (INIS)

Nosov, V.G.; Kamchatnov, A.M.

1977-01-01

The theory of backbending is developed taking into accout the increasing role of nonadiabatic effects, which are concerned with quantum number K violation. Above the transition point, rotation quantum number j (>=) jsub(c) (second-kind transition point), all possible values of the quantity K in the interval -J ( Jsub(c) are obtained. The radius of global nucleon mass distribution in the nucleus is defined from the analysis of the experimental moments of inertia in n-phase. It is in agreement with the radius of distribution of protons alone obtained from electron scattering on nuclei. Assuming the simplest singularity of parametric derivative of the Hamiltonian of the system the general theory of non-temperature (ground state)second-kind phase transitions is developed

Nonadiabatic holonomic quantum computation using Rydberg blockade

Science.gov (United States)

Kang, Yi-Hao; Chen, Ye-Hong; Shi, Zhi-Cheng; Huang, Bi-Hua; Song, Jie; Xia, Yan

2018-04-01

In this paper, we propose a scheme for realizing nonadiabatic holonomic computation assisted by two atoms and the shortcuts to adiabaticity (STA). The blockade effect induced by strong Rydberg-mediated interaction between two Rydberg atoms provides us the possibility to simplify the dynamics of the system, and the STA helps us design pulses for implementing the holonomic computation with high fidelity. Numerical simulations show the scheme is noise immune and decoherence resistant. Therefore, the current scheme may provide some useful perspectives for realizing nonadiabatic holonomic computation.

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion.

Science.gov (United States)

Soudackov, Alexander V; Hammes-Schiffer, Sharon

2015-11-21

Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at high temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

International Nuclear Information System (INIS)

Soudackov, Alexander V.; Hammes-Schiffer, Sharon

2015-01-01

Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at high temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton

Electronic drive and acquisition system for mass spectrometry

Science.gov (United States)

Schaefer, Rembrandt Thomas (Inventor); Mojarradi, Mohammad (Inventor); Chutjian, Ara (Inventor); Darrach, Murray R. (Inventor); MacAskill, John (Inventor); Tran, Tuan (Inventor); Burke, Gary R. (Inventor); Madzunkov, Stojan M. (Inventor); Blaes, Brent R. (Inventor); Thomas, John L. (Inventor)

2010-01-01

The present invention discloses a mixed signal RF drive electronics board that offers small, low power, reliable, and customizable method for driving and generating mass spectra from a mass spectrometer, and for control of other functions such as electron ionizer, ion focusing, single-ion detection, multi-channel data accumulation and, if desired, front-end interfaces such as pumps, valves, heaters, and columns.

Nonadiabatic theory of strong-field atomic effects under elliptical polarization

International Nuclear Information System (INIS)

Wang Xu; Eberly, J. H.

2012-01-01

Elliptically polarized laser fields provide a new channel for access to strong-field processes that are either suppressed or not present under linear polarization. Quantum theory is mostly unavailable for their analysis, and we report here results of a systematic study based on a classical ensemble theory with solution of the relevant ab inito time-dependent Newton equations for selected model atoms. The study's approach is necessarily nonadiabatic, as it follows individual electron trajectories leading to single, double, and triple ionizations. Of particular interest are new results bearing on open questions concerning experimental reports of unexplained species dependences as well as double-electron release times that are badly matched by a conventional adiabatic quantum tunneling theory. We also report the first analysis of electron trajectories for sequential and non-sequential triple ionization.

Electron cyclotron resonance heating and current drive

Energy Technology Data Exchange (ETDEWEB)

Fidone, I.; Castejon, F.

1992-07-01

A brief summary of the theory and experiments on electron- cyclotron heating and current drive is presented. The general relativistic formulation of wave propagation and linear absorption is considered in some detail. The O-mode and the X-mode for normal and oblique propagation are investigated and illustrated by several examples. The experimental verification of the theory in T-10 and D- III-D is briefly discussed. Quasilinear evolution of the momentum distribution and related applications as, for instance, non linear wave, damping and current drive, are also considered for special cases of wave frequencies, polarization and propagation. In the concluding section we present the general formulation of the wave damping and current drive in the absence of electron trapping for arbitrary values of the wave frequency. (Author) 13 refs.

Electron - cyclotron resonance heating and current drive

International Nuclear Information System (INIS)

Fidone, I.; Castejon, F.

1992-01-01

A brief summary of the theory and experiments on electron- cyclotron heating and current drive is presented. The general relativistic formulation of wave propagation and linear absorption is considered in some detail. The O-mode and the X-mode for normal and oblique propagation are investigated and illustrated by several examples. The experimental verification of the theory in T-10 and D- III-D is briefly discussed. Quasilinear evolution of the momentum distribution and related applications as, for instance, non linear wave, damping and current drive, are also considered for special cases of wave frequencies, polarization and propagation. In the concluding section we present the general formulation of the wave damping and current drive in the absence of electron trapping for arbitrary values of the wave frequency. (Author) 13 refs

Electron-cyclotron resonance heating and current drive

International Nuclear Information System (INIS)

Filone, I.

1992-01-01

A brief summary of the theory and experiments on electron-cyclotron heating and current drive is presented. the general relativistic formulation of wave propagation and linear absorption is considered in some detail. The O-mode and the X-mode for normal and oblique propagation are investigated and illustrated by several examples. The experimental verification of the theory in T-10 and D-III-D is briefly discussed. Quasilinear evolution of the momentum distribution and related applications as, for instance, non linear wave damping and current drive, are also considered for special cases of wave frequencies, polarization and propagation. In the concluding section we present the general formulation of the wave damping and current drive in the absence of electron trapping for arbitrary values of the wave frequency. (author) 8 fig. 13 ref

Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

International Nuclear Information System (INIS)

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

2014-01-01

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

Nonadiabatic effect on the quantum heat flux control.

Science.gov (United States)

Uchiyama, Chikako

2014-05-01

We provide a general formula of quantum transfer that includes the nonadiabatic effect under periodic environmental modulation by using full counting statistics in Hilbert-Schmidt space. Applying the formula to an anharmonic junction model that interacts with two bosonic environments within the Markovian approximation, we find that the quantum transfer is divided into the adiabatic (dynamical and geometrical phases) and nonadiabatic contributions. This extension shows the dependence of quantum transfer on the initial condition of the anharmonic junction just before the modulation, as well as the characteristic environmental parameters such as interaction strength and cut-off frequency of spectral density. We show that the nonadiabatic contribution represents the reminiscent effect of past modulation including the transition from the initial condition of the anharmonic junction to a steady state determined by the very beginning of the modulation. This enables us to tune the frequency range of modulation, whereby we can obtain the quantum flux corresponding to the geometrical phase by setting the initial condition of the anharmonic junction.

Current drive by electron cyclotron waves in NET

International Nuclear Information System (INIS)

Giruzzi, G.; Schep, T.J.; Westerhof, E.

1989-01-01

A potentially attractive scenario for steady-state operations in the Next European Torus relies on the use of lower-hybrid (LH) waves for non-inductive current drive in the plasma periphery and of electron cyclotron (EC) waves in the aim of determining the best options for the ECN current drive system and of evaluating the expected current drive efficiency. (author). 7 refs.; 6 figs.; 1 tab

FWCD (fast wave current drive) and ECCD (electron cyclotron current drive) experiments on DIII-D

International Nuclear Information System (INIS)

Prater, R.; Austin, M.; Baity, F.W.

1994-01-01

Fast wave current drive and electron cyclotron current drive experiments have been performed on the DIII-D tokamak as part of the advanced tokamak program. The goal of this program is to develop techniques for controlling the profile of the current density in order to access regimes of improved confinement and stability. The experiments on fast wave current drive used a four strap antenna with 90deg phasing between straps. A decoupler was used to help maintain the phasing, and feedback control of the plasma position was used to keep the resistive loading constant. RF pickup loops demonstrate that the directivity of the antenna is as expected. Plasma currents up to 0.18 MA were driven by 1.5 MW of fast wave power. Electron cyclotron current drive experiments at 60 GHz have shown 0.1 MA of plasma current driven by 1 MW of power. New fast wave and electron cyclotron heating systems are in development for DIII-D, so that the goals of the advanced tokamak program can be carried out. (author)

ELECTRON CYCLOTRON CURRENT DRIVE EFFICIENCY IN GENERAL TOKAMAK GEOMETRY

International Nuclear Information System (INIS)

LIN-LUI, Y.R; CHAN, V.S; PRATER, R.

2003-01-01

Green's-function techniques are used to calculate electron cyclotron current drive (ECCD) efficiency in general tokamak geometry in the low-collisionality regime. Fully relativistic electron dynamics is employed in the theoretical formulation. The high-velocity collision model is used to model Coulomb collisions and a simplified quasi-linear rf diffusion operator describes wave-particle interactions. The approximate analytic solutions which are benchmarked with a widely used ECCD model, facilitate time-dependent simulations of tokamak operational scenarios using the non-inductive current drive of electron cyclotron waves

Ideal quantum gas in an expanding cavity: nature of nonadiabatic force.

Science.gov (United States)

Nakamura, K; Avazbaev, S K; Sobirov, Z A; Matrasulov, D U; Monnai, T

2011-04-01

We consider a quantum gas of noninteracting particles confined in the expanding cavity and investigate the nature of the nonadiabatic force which is generated from the gas and acts on the cavity wall. First, with use of the time-dependent canonical transformation, which transforms the expanding cavity to the nonexpanding one, we can define the force operator. Second, applying the perturbative theory, which works when the cavity wall begins to move at time origin, we find that the nonadiabatic force is quadratic in the wall velocity and thereby does not break the time-reversal symmetry, in contrast with general belief. Finally, using an assembly of the transitionless quantum states, we obtain the nonadiabatic force exactly. The exact result justifies the validity of both the definition of the force operator and the issue of the perturbative theory. The mysterious mechanism of nonadiabatic transition with the use of transitionless quantum states is also explained. The study is done for both cases of the hard- and soft-wall confinement with the time-dependent confining length. ©2011 American Physical Society

Non-adiabatic Excited State Molecule Dynamics Modeling of Photochemistry and Photophysics of Materials

Energy Technology Data Exchange (ETDEWEB)

Nelson, Tammie Renee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tretiak, Sergei [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-01-06

Understanding and controlling excited state dynamics lies at the heart of all our efforts to design photoactive materials with desired functionality. This tailor-design approach has become the standard for many technological applications (e.g., solar energy harvesting) including the design of organic conjugated electronic materials with applications in photovoltaic and light-emitting devices. Over the years, our team has developed efficient LANL-based codes to model the relevant photophysical processes following photoexcitation (spatial energy transfer, excitation localization/delocalization, and/or charge separation). The developed approach allows the non-radiative relaxation to be followed on up to ~10 ps timescales for large realistic molecules (hundreds of atoms in size) in the realistic solvent dielectric environment. The Collective Electronic Oscillator (CEO) code is used to compute electronic excited states, and the Non-adiabatic Excited State Molecular Dynamics (NA-ESMD) code is used to follow the non-adiabatic dynamics on multiple coupled Born-Oppenheimer potential energy surfaces. Our preliminary NA-ESMD simulations have revealed key photoinduced mechanisms controlling competing interactions and relaxation pathways in complex materials, including organic conjugated polymer materials, and have provided a detailed understanding of photochemical products and intermediates and the internal conversion process during the initiation of energetic materials. This project will be using LANL-based CEO and NA-ESMD codes to model nonradiative relaxation in organic and energetic materials. The NA-ESMD and CEO codes belong to a class of electronic structure/quantum chemistry codes that require large memory, “long-queue-few-core” distribution of resources in order to make useful progress. The NA-ESMD simulations are trivially parallelizable requiring ~300 processors for up to one week runtime to reach a meaningful restart point.

Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states.

Science.gov (United States)

Sirjoosingh, Andrew; Hammes-Schiffer, Sharon

2011-03-24

The distinction between proton-coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms is important for the characterization of many chemical and biological processes. PCET and HAT mechanisms can be differentiated in terms of electronically nonadiabatic and adiabatic proton transfer, respectively. In this paper, quantitative diagnostics to evaluate the degree of electron-proton nonadiabaticity are presented. Moreover, the connection between the degree of electron-proton nonadiabaticity and the physical characteristics distinguishing PCET from HAT, namely, the extent of electronic charge redistribution, is clarified. In addition, a rigorous diabatization scheme for transforming the adiabatic electronic states into charge-localized diabatic states for PCET reactions is presented. These diabatic states are constructed to ensure that the first-order nonadiabatic couplings with respect to the one-dimensional transferring hydrogen coordinate vanish exactly. Application of these approaches to the phenoxyl-phenol and benzyl-toluene systems characterizes the former as PCET and the latter as HAT. The diabatic states generated for the phenoxyl-phenol system possess physically meaningful, localized electronic charge distributions that are relatively invariant along the hydrogen coordinate. These diabatic electronic states can be combined with the associated proton vibrational states to generate the reactant and product electron-proton vibronic states that form the basis of nonadiabatic PCET theories. Furthermore, these vibronic states and the corresponding vibronic couplings may be used to calculate rate constants and kinetic isotope effects of PCET reactions.

Intrinsic nonadiabatic topological torque in magnetic skyrmions and vortices

KAUST Repository

Akosa, Collins Ashu; Ndiaye, Papa Birame; Manchon, Aurelien

2017-01-01

We propose that topological spin currents flowing in topologically nontrivial magnetic textures, such as magnetic skyrmions and vortices, produce an intrinsic nonadiabatic torque of the form Tt∼[(∂xm×∂ym)·m]∂ym. We show that this torque, which is absent in one-dimensional domain walls and/or nontopological textures, is responsible for the enhanced nonadiabaticity parameter observed in magnetic vortices compared to one-dimensional textures. The impact of this torque on the motion of magnetic skyrmions is expected to be crucial, especially to determine their robustness against defects and pinning centers.

Intrinsic nonadiabatic topological torque in magnetic skyrmions and vortices

KAUST Repository

Akosa, Collins Ashu

2017-03-01

We propose that topological spin currents flowing in topologically nontrivial magnetic textures, such as magnetic skyrmions and vortices, produce an intrinsic nonadiabatic torque of the form Tt∼[(∂xm×∂ym)·m]∂ym. We show that this torque, which is absent in one-dimensional domain walls and/or nontopological textures, is responsible for the enhanced nonadiabaticity parameter observed in magnetic vortices compared to one-dimensional textures. The impact of this torque on the motion of magnetic skyrmions is expected to be crucial, especially to determine their robustness against defects and pinning centers.

Mechanisms of the negative synergy effect between electron cyclotron current drive and lower hybrid current drive in tokamak

International Nuclear Information System (INIS)

Chen Shaoyong; Hong Binbin; Tang Changjian; Yang Wen; Zhang Xinjun

2013-01-01

The synergy current drive by combining electron cyclotron wave (ECW) with lower hybrid wave (LHW) can be used to either increase the noninductive current drive efficiency or shape the plasma current profile. In this paper, the synergy current drive by ECW and LHW is studied with numerical simulation. The nonlinear relationship between the wave powers and the synergy current of ECW and LHW is revealed. When the LHW power is small, the synergy current reduces as the ECW power increases, and the synergy current is even reduced to lower than zero, which is referred as negative synergy in the this context. Research shows that the mechanism of the negative synergy is the peaking effect of LHW power profile and the trapped electrons effect. The present research is helpful for understanding the physics of synergy between electron cyclotron current drive and lower hybrid current drive, it can also instruct the design of experiments. (authors)

ELECTRON CYCLOTRON CURRENT DRIVE IN DIII-D: EXPERIMENT AND THEORY

International Nuclear Information System (INIS)

PRATER, R; PETTY, CC; LUCE, TC; HARVEY, RW; CHOI, M; LAHAYE, RJ; LIN-LIU, Y-R; LOHR, J; MURAKAMI, M; WADE, MR; WONG, K-L

2003-01-01

A271 ELECTRON CYCLOTRON CURRENT DRIVE IN DIII-D: EXPERIMENT AND THEORY. Experiments on the DIII-D tokamak in which the measured off-axis electron cyclotron current drive has been compared systematically to theory over a broad range of parameters have shown that the Fokker-Planck code CQL3D provides an excellent model of the relevant current drive physics. This physics understanding has been critical in optimizing the application of ECCD to high performance discharges, supporting such applications as suppression of neoclassical tearing modes and control and sustainment of the current profile

Advanced and intelligent control in power electronics and drives

CERN Document Server

Blaabjerg, Frede; Rodríguez, José

2014-01-01

Power electronics and variable frequency drives are continuously developing multidisciplinary fields in electrical engineering, and it is practically not possible to write a book covering the entire area by one individual specialist. Especially by taking account the recent fast development in the neighboring fields like control theory, computational intelligence and signal processing, which all strongly influence new solutions in control of power electronics and drives. Therefore, this book is written by individual key specialist working on the area of modern advanced control methods which penetrates current implementation of power converters and drives. Although some of the presented methods are still not adopted by industry, they create new solutions with high further research and application potential. The material of the book is presented in the following three parts: Part I: Advanced Power Electronic Control in Renewable Energy Sources (Chapters 1-4), Part II: Predictive Control of Power Converters and D...

Electron-cyclotron current drive in the tokamak physics experiment

International Nuclear Information System (INIS)

Smith, G.R.; Kritz, A.H.; Radin, S.H.

1992-01-01

Ray-tracking calculations provide estimates of the electron-cyclotron heating (ECH) power required to suppress tearing modes near the q=2 surface in the Tokamak Physics Experiment. Effects of finite beam width and divergence are included, as are the effects of scattering of the ECH power by drift-wave turbulence. A frequency of about 120 GHz allows current drive on the small-R (high-B) portion of q=2, while 80 GHz drives current on the large-R (low-B) portion. The higher frequency has the advantages of less sensitivity to wave and plasma parameters and of no trapped-electron degradation of current-drive efficiency. Less than 1 MW suffices to suppress tearing modes even with high turbulence levels

Spatial non-adiabatic passage using geometric phases

Energy Technology Data Exchange (ETDEWEB)

Benseny, Albert; Busch, Thomas [Okinawa Institute of Science and Technology Graduate University, Quantum Systems Unit, Okinawa (Japan); Kiely, Anthony; Ruschhaupt, Andreas [University College Cork, Department of Physics, Cork (Ireland); Zhang, Yongping [Okinawa Institute of Science and Technology Graduate University, Quantum Systems Unit, Okinawa (Japan); Shanghai University, Department of Physics, Shanghai (China)

2017-12-15

Quantum technologies based on adiabatic techniques can be highly effective, but often at the cost of being very slow. Here we introduce a set of experimentally realistic, non-adiabatic protocols for spatial state preparation, which yield the same fidelity as their adiabatic counterparts, but on fast timescales. In particular, we consider a charged particle in a system of three tunnel-coupled quantum wells, where the presence of a magnetic field can induce a geometric phase during the tunnelling processes. We show that this leads to the appearance of complex tunnelling amplitudes and allows for the implementation of spatial non-adiabatic passage. We demonstrate the ability of such a system to transport a particle between two different wells and to generate a delocalised superposition between the three traps with high fidelity in short times. (orig.)

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

Science.gov (United States)

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

2014-01-01

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

Impact of electron trapping on RF current drive in tokamaks

International Nuclear Information System (INIS)

Giruzzi, G.; Engelmann, F.

1987-01-01

The impact of the presence of trapped electrons on noninductive current drive by RF waves in tokamak plasmas is investigated. The appropriate response function, allowing to express the current drive efficiency J/P by a simple analytical formula, has been derived. The approach displays the reasons for the degradation of the current drive efficiency away from the plasma axis in the case of methods relying on the diffusion of electrons in the velocity component perpendicular to the confining magnetic field. It is shown that this degradation is appreciable even for large resonant parallel velocities. (author) [pt

Nonadiabatic ab initio molecular dynamics of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene

International Nuclear Information System (INIS)

Ohta, Ayumi; Kobayashi, Osamu; Danielache, Sebastian O.; Nanbu, Shinkoh

2015-01-01

Highlights: • The photoisomerization between cyclohexadiene and hexatriene was simulated. • Nonadiabatic ab initio MD simulations were employed to elucidate the mechanism. • Each excitations to S_1 and S_2 were simulated using full-dimensional model. • Specific molecular motions at CoIns and molecular vibrations on S_1 PES were found. • The one-sided product branching ratio was obtained at the photoexcitation to S_2. - Abstract: The photoisomerization process between 1,3-cyclohexadiene (CHD) and 1,3,5-cis-hexatriene (HT) has been studied by nonadiabatic ab initio molecular dynamics based on trajectory surface-hopping approach with a full-dimensional reaction model. The quantum chemical calculations were treated at MS-MR-CASPT2 level for 8 electrons in 8 orbitals with the cc-pVDZ basis set. The Zhu–Nakamura formula was employed to evaluate nonadiabatic transition probabilities. S_1 and S_2 states were included in the photoisomerization dynamics. Lifetimes and CHD:HT branching ratios were computationally estimated on the basis of statistical analysis of multiple executed trajectories. The analysis of trajectories suggested that the nonadiabatic transitions at the S_0/S_1 and S_1/S_2 conical intersections (CoIn) are correlated to the Kekulé-type vibration and the C3–C4–C5 bending motion, respectively. The one-sided branching ratio was obtained by excitations to the S_2 state; 70:30. The critical branching process was found to be dominated by the location of CoIn in potential energy hypersurface of the excited state.

Quantum chaos induced by nonadiabatic coupling in wave-packet dynamics

International Nuclear Information System (INIS)

Higuchi, Hisashi; Takatsuka, Kazuo

2002-01-01

The effect of nonadiabatic coupling due to breakdown of the Born-Oppenheimer approximation on chaos is investigated. A couple of measures (indicators) that detect the extent of chaos in wave-packet dynamics on coupled potential functions are devised. Using them, we show that chaos is indeed induced by a nonadiabatic coupling in individual time-dependent wave-packet dynamics. This chaos is genuinely of quantum nature, since it arises from bifurcation and merging of a wave packet at the quasicrossing region of two coupled potential functions

Matching-pursuit/split-operator Fourier-transform simulations of nonadiabatic quantum dynamics

Science.gov (United States)

Wu, Yinghua; Herman, Michael F.; Batista, Victor S.

2005-03-01

A rigorous and practical approach for simulations of nonadiabatic quantum dynamics is introduced. The algorithm involves a natural extension of the matching-pursuit/split-operator Fourier-transform (MP/SOFT) method [Y. Wu and V. S. Batista, J. Chem. Phys. 121, 1676 (2004)] recently developed for simulations of adiabatic quantum dynamics in multidimensional systems. The MP/SOFT propagation scheme, extended to nonadiabatic dynamics, recursively applies the time-evolution operator as defined by the standard perturbation expansion to first-, or second-order, accuracy. The expansion is implemented in dynamically adaptive coherent-state representations, generated by an approach that combines the matching-pursuit algorithm with a gradient-based optimization method. The accuracy and efficiency of the resulting propagation method are demonstrated as applied to the canonical model systems introduced by Tully for testing simulations of dual curve-crossing nonadiabatic dynamics.

Energetics and dynamics of excess electrons in simple fluids

International Nuclear Information System (INIS)

Space, B.

1992-01-01

Excess electronic dynamical and equilibrium properties are modeled in both polarizable and nonpolarizable noble gas fluids. Explicit dynamical calculations are carried out for excess electrons in fluid helium, where excess electronic eigenstates are localized. Energetics and dynamics are considered for fluids which span the entire range of polarizability present in the rare gases. Excess electronic eigenstates and eigenvalues are calculated for fluids of helium, argon and xenon. Both equilibrium and dynamical information is obtained from the calculation of these wavefunctions. A surface hopping trajectory method for studying nonadiabatic excess electronic relaxation in condensed systems is used to explore the nonadiabatic relaxation after photoexciting an equilibrated excess electron in dense fluid helium. The different types on nonadiabatic phenomena which are important in excess electronic relaxation are surveyed. The same surface hopping trajectory method is also used to study the rapid nonadiabatic relaxation after an excess electron is injected into unperturbed fluid helium. Several distinctively different relaxation processes, characterized by their relative importance at different times during the relaxation to a localized equilibrium state, are detailed. Though the dynamical properties of excess electrons under the conditions considered here have never been studied before, the behavior is remarkably similar to that observed in both experimental and theoretical studies of electron hydration dynamics, indicating that the processes described may be very general relaxation mechanisms for localization and trapping in fluids. Additionally, ground state energies of an excess electron, e 0 , are computed as a function of solvent density using model electron-atom pseudopotentials in fluid helium, argon, and xenon. The nonuniqueness of the pseudopotential description of electron-molecule interactions is demonstrated

The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: A combined experimental and theoretical study of NO(v = 3) collisions with a Au(111) surface

Energy Technology Data Exchange (ETDEWEB)

Golibrzuch, Kai; Shirhatti, Pranav R.; Kandratsenka, Alexander; Wodtke, Alec M.; Bartels, Christof [Institute for Physical Chemistry, Georg August University of Göttingen, Göttingen 37077 (Germany); Max Planck Institute for Biophysical Chemistry, Göttingen 37077 (Germany); Rahinov, Igor [Department of Natural Sciences, The Open University of Israel, Ra' anana 4353701 (Israel); Auerbach, Daniel J. [Institute for Physical Chemistry, Georg August University of Göttingen, Göttingen 37077 (Germany); Max Planck Institute for Biophysical Chemistry, Göttingen 37077 (Germany); Department of Chemistry and Biochemistry, University of California Santa Barbara, Santa Barbara, California 93106 (United States)

2014-01-28

We present a combined experimental and theoretical study of NO(v = 3 → 3, 2, 1) scattering from a Au(111) surface at incidence translational energies ranging from 0.1 to 1.2 eV. Experimentally, molecular beam–surface scattering is combined with vibrational overtone pumping and quantum-state selective detection of the recoiling molecules. Theoretically, we employ a recently developed first-principles approach, which employs an Independent Electron Surface Hopping (IESH) algorithm to model the nonadiabatic dynamics on a Newns-Anderson Hamiltonian derived from density functional theory. This approach has been successful when compared to previously reported NO/Au scattering data. The experiments presented here show that vibrational relaxation probabilities increase with incidence energy of translation. The theoretical simulations incorrectly predict high relaxation probabilities at low incidence translational energy. We show that this behavior originates from trajectories exhibiting multiple bounces at the surface, associated with deeper penetration and favored (N-down) molecular orientation, resulting in a higher average number of electronic hops and thus stronger vibrational relaxation. The experimentally observed narrow angular distributions suggest that mainly single-bounce collisions are important. Restricting the simulations by selecting only single-bounce trajectories improves agreement with experiment. The multiple bounce artifacts discovered in this work are also present in simulations employing electronic friction and even for electronically adiabatic simulations, meaning they are not a direct result of the IESH algorithm. This work demonstrates how even subtle errors in the adiabatic interaction potential, especially those that influence the interaction time of the molecule with the surface, can lead to an incorrect description of electronically nonadiabatic vibrational energy transfer in molecule-surface collisions.

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations

Science.gov (United States)

Glover, William J.; Mori, Toshifumi; Schuurman, Michael S.; Boguslavskiy, Andrey E.; Schalk, Oliver; Stolow, Albert; Martínez, Todd J.

2018-04-01

The excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene (BD), has long been the subject of controversy due to its strong coupling, ultrafast time scales and the difficulties that theory faces in describing the relevant electronic states in a balanced fashion. Here we apply Ab Initio Multiple Spawning (AIMS) using state-averaged complete active space multistate second order perturbation theory [SA-3-CAS(4/4)-MSPT2] which describes both static and dynamic electron correlation effects, providing a balanced description of both the initially prepared bright 11Bu (ππ*) state and non-adiabatically coupled dark 21Ag state of BD. Importantly, AIMS allows for on-the-fly calculations of experimental observables. We validate our approach by directly simulating the time resolved photoelectron-photoion coincidence spectroscopy results presented in Paper I [A. E. Boguslavskiy et al., J. Chem. Phys. 148, 164302 (2018)], demonstrating excellent agreement with experiment. Our simulations reveal that the initial excitation to the 11Bu state rapidly evolves via wavepacket dynamics that follow both bright- and dark-state pathways as well as mixtures of these. In order to test the sensitivity of the AIMS results to the relative ordering of states, we considered two hypothetical scenarios biased toward either the bright 1Bu or the dark 21Ag state. In contrast with AIMS/SA-3-CAS(4/4)-MSPT2 simulations, neither of these scenarios yields favorable agreement with experiment. Thus, we conclude that the excited state non-adiabatic dynamics in BD involves both of these ultrafast pathways.

PHYSICS OF ELECTRON CYCLOTRON CURRENT DRIVE ON DIII-D

International Nuclear Information System (INIS)

PETTY, C.C.; PRATER, R.; LUCE, T.C.; ELLIS, R.A.; HARVEY, R.W.; KINSEY, J.E.; LAO, L.L.; LOHR, J.; MAKOWSKI, M.A.

2002-01-01

OAK A271 PHYSICS OF ELECTRON CYCLOTRON CURRENT DRIVE ON DIII-D. Recent experiments on the DIII-D tokamak have focused on determining the effect of trapped particles on the electron cyclotron current drive (ECCD) efficiency. The measured ECCD efficiency increases as the deposition location is moved towards the inboard midplane or towards smaller minor radius for both co and counter injection. The measured ECCD efficiency also increases with increasing electron density and/or temperature. The experimental ECCD is compared to both the linear theory (Toray-GA) as well as a quasilinear Fokker-Planck model (CQL3D). The experimental ECCD is found to be in better agreement with the more complete Fokker-Planck calculation, especially for cases of high rf power density and/or loop voltage

Electron Energy Confinement for HHFW Heating and Current Drive Phasing on NSTX

International Nuclear Information System (INIS)

Hosea, J.C.; Bernabei, S.; Biewer, T.; LeBlanc, B.; Phillips, C.K.; Wilson, J.R.; Stutman, D.; Ryan, P.; Swain, D.W.

2005-01-01

Thomson scattering laser pulses are synchronized relative to modulated HHFW power to permit evaluation of the electron energy confinement time during and following HHFW pulses for both heating and current drive antenna phasing. Profile changes resulting from instabilities require that the total electron stored energy, evaluated by integrating the midplane electron pressure P(sub)e(R) over the magnetic surfaces prescribed by EFIT analysis, be used to derive the electron energy confinement time. Core confinement is reduced during a sawtooth instability but, although the electron energy is distributed outward by the sawtooth, the bulk electron energy confinement time is essentially unaffected. The radial deposition of energy into the electrons is noticeably more peaked for current drive phasing (longer wavelength excitation) relative to that for heating phasing (shorter wavelength excitation) as is expected theoretically. However, the power delivered to the core plasma is reduced consider ably for the current drive phasing, indicating that surface/peripheral damping processes play a more important role for this case

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

Science.gov (United States)

Li, Chen; Requist, Ryan; Gross, E. K. U.

2018-02-01

We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an abrupt change in the ground state electronic distribution due to an electron transfer at a critical bond length R = Rc, where an avoided crossing of the lowest adiabatic potential energy surfaces calls the validity of the Born-Oppenheimer approximation into doubt. Modeling the R-dependent electronic structure of LiF within a two-site Hubbard model, we find that nonadiabatic electron-nuclear coupling produces a sizable elongation of the critical Rc by 0.5 bohr. This effect is very accurately captured by a simple and rigorously derived correction, with an M-1 prefactor, to the exchange-correlation potential in density functional theory, M = reduced nuclear mass. Since this nonadiabatic term depends on gradients of the nuclear wave function and conditional electronic density, ∇Rχ(R) and ∇Rn(r, R), it couples the Kohn-Sham equations at neighboring R points. Motivated by an observed localization of nonadiabatic effects in nuclear configuration space, we propose a local conditional density approximation—an approximation that reduces the search for nonadiabatic density functionals to the search for a single function y(n).

Nonadiabatic dynamics in the semiclassical Liouville representation: Locality, transformation theory, and the energy budget

Energy Technology Data Exchange (ETDEWEB)

Martens, Craig C., E-mail: cmartens@uci.edu

2016-12-20

In this paper, we revisit the semiclassical Liouville approach to describing molecular dynamics with electronic transitions using classical trajectories. Key features of the formalism are highlighted. The locality in phase space and presence of nonclassical terms in the generalized Liouville equations are emphasized and discussed in light of trajectory surface hopping methodology. The representation dependence of the coupled semiclassical Liouville equations in the diabatic and adiabatic bases are discussed and new results for the transformation theory of the Wigner functions representing the corresponding density matrix elements given. We show that the diagonal energies of the state populations are not conserved during electronic transitions, as energy is stored in the electronic coherence. We discuss the implications of this observation for the validity of imposing strict energy conservation in trajectory based methods for simulating nonadiabatic processes.

Three-phase electric drive with modified electronic smoothing inductor

DEFF Research Database (Denmark)

Singh, Yash Veer; Rasmussen, Peter Omand; Andersen, Torben Ole

2010-01-01

This paper presents a three-phase electric drive with a modified electronic smoothing inductor (MESI) having reduced size of passive components. The classical electronic smoothing inductor (ESI) is able to control a diode bridge output current and also reduce not only mains current harmonics...

Fast wave and electron cyclotron current drive in the DIII-D tokamak

International Nuclear Information System (INIS)

Petty, C.C.; Pinsker, R.I.; Austin, M.E.

1995-01-01

The non-inductive current drive from directional fast Alfven and electron cyclotron waves was measured in the DIII-D tokamak in order to demonstrate these forms of radiofrequency (RF) current drive and to compare the measured efficiencies with theoretical expectations. The fast wave frequency was 8 times the deuterium cyclotron frequency at the plasma centre, while the electron cyclotron wave was at twice the electron cyclotron frequency. Complete non-inductive current drive was achieved using a combination of fast wave current drive (FWCD) and electron cyclotron current drive (ECCD) in discharges for which the total plasma current was inductively ramped down from 400 to 170 kA. For steady current discharges, an analysis of the loop voltage revealed up to 195 kA of a non-inductive current (out of 310 kA) during combined electron cyclotron and fast wave injection, with a maximum of 110 kA of FWCD and 80 kA of ECCD achieved (not simultaneously). The peakedness of the current profile increased with RF current drive, indicating that the driven current was centrally localized. The FWCD efficiency increased linearly with the central electron temperature as expected; however, the FWCD was severely degraded in low current discharges owing to incomplete fast wave absorption. The measured FWCD agreed with the predictions of a ray tracing code only when a parasitic loss of 4% per pass was included in the modelling along with multiple pass absorption. Enhancement of the second harmonic ECCD efficiency by the toroidal electric field was observed experimentally. The measured ECCD was in good agreement with Fokker-Planck code predictions. (author). 41 refs, 13 figs, 1 tab

HIL Simulation of Power Electronics and Electric Drives for Automotive Applications

Directory of Open Access Journals (Sweden)

Frank Puschmann

2012-12-01

Full Text Available Hardware-in-the-loop simulation is today a standard method for testing electronic equipment in the automotive industry. Since electric drives and power electronic devices are more and more important in automotive applications, these kinds of systems have to be integrated into the hardware-in-the-loop simulation. Power converters and electric drives are used in many different applications in vehicles today (hybrid electric or electric powertrain, electric steering systems, DC-DC converters, etc.. The wide range of applications, topologies, and power levels results in various different approaches and solutions for hardware-in-the-loop testing. This paper gives an overview of hardware-in-the-loop simulation of power electronics and electric drives in the automotive industry. The currently available technologies are described and future challenges are outlined.

Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band

Energy Technology Data Exchange (ETDEWEB)

Xie, Changjian [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Zhu, Xiaolei; Yarkony, David R., E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Ma, Jianyi, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065 (China); Xie, Daiqian, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Guo, Hua, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

2015-03-07

Non-adiabatic processes play an important role in photochemistry, but the mechanism for conversion of electronic energy to chemical energy is still poorly understood. To explore the possibility of vibrational control of non-adiabatic dynamics in a prototypical photoreaction, namely, the A-band photodissociation of NH{sub 3}(X{sup ~1}A{sub 1}), full-dimensional state-to-state quantum dynamics of symmetric or antisymmetric stretch excited NH{sub 3}(X{sup ~1}A{sub 1}) is investigated on recently developed coupled diabatic potential energy surfaces. The experimentally observed H atom kinetic energy distributions are reproduced. However, contrary to previous inferences, the NH{sub 2}(A{sup ~2}A{sub 1})/NH{sub 2}(X{sup ~2}B{sub 1}) branching ratio is found to be small regardless of the initial preparation of NH{sub 3}(X{sup ~1}A{sub 1}), while the internal state distribution of the preeminent fragment, NH{sub 2}(X{sup ~2}B{sub 1}), is found to depend strongly on the initial vibrational excitation of NH{sub 3}(X{sup ~1}A{sub 1}). The slow H atoms in photodissociation mediated by the antisymmetric stretch fundamental state are due to energy sequestered in the internally excited NH{sub 2}(X{sup ~2}B{sub 1}) fragment, rather than in NH{sub 2}(A{sup ~2}A{sub 1}) as previously proposed. The high internal excitation of the NH{sub 2}(X{sup ~2}B{sub 1}) fragment is attributed to the torques exerted on the molecule as it passes through the conical intersection seam to the ground electronic state of NH{sub 3}. Thus in this system, contrary to previous assertions, the control of electronic state branching by selective excitation of ground state vibrational modes is concluded to be ineffective. The juxtaposition of precise quantum mechanical results with complementary results based on quasi-classical surface hopping trajectories provides significant insights into the non-adiabatic process.

Non-adiabatic effect on Laughlin's argument of the quantum Hall effect

International Nuclear Information System (INIS)

Maruyama, I; Hatsugai, Y

2009-01-01

We have numerically studied a non-adiabatic charge transport in the quantum Hall system pumped by a magnetic flux, as one of the simplest theoretical realizations of non-adiabatic Thouless pumping. In the adiabatic limit, a pumped charge is quantized, known as Laughlin's argument in a cylindrical lattice. In a uniform electric field, we obtained a formula connecting quantized pumping in the adiabatic limit and no-pumping in the sudden limit. The intermediate region between the two limits is determined by the Landau gap. A randomness or impurity effect is also discussed.

Nonadiabatic production of spinor condensates with a quadrupole-Ioffe-configuration trap

International Nuclear Information System (INIS)

Zhang, P.; Xu, Z.; You, L.

2006-01-01

Motivated by the recent experimental observation of multicomponent spinor condensates via a time-dependent quadrupole-Ioffe-configuration trap, we provide a general framework for the investigation of nonadiabatic Landau-Zener dynamics of a hyperfine spin, e.g., from an atomic magnetic dipole moment coupled to a weak time-dependent magnetic (B-) field. The spin flipped population distribution, or the so-called Majorona formula, is expressed in terms of system parameters and experimental observables; thus, the distribution provides much needed insight into the underlying mechanism for the production of spinor condensates due to nonadiabatic level crossings

Quantum theory of nonadiabatic heavy-particle transfer processes in polar media

International Nuclear Information System (INIS)

Kuznetsov, A.M.

1986-01-01

For the probability of nonadiabatic transfer of heavy particles, a calculating procedure is proposed which in the case of certain processes allows the interaction between motion of the particle undergoing transfer and motion along other degrees of freedom to be exactly accounted for. In the case of symmetric systems, explicit expressions are obtained for the free energy of activation of the transition and for the tunneling factor which allow for nonadiabaticity of motion of the particle undergoing transfer, both in the region beneath the barrier and in the region that is classically accessible

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. II. Ab initio multiple spawning simulations.

Science.gov (United States)

Glover, William J; Mori, Toshifumi; Schuurman, Michael S; Boguslavskiy, Andrey E; Schalk, Oliver; Stolow, Albert; Martínez, Todd J

2018-04-28

The excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene (BD), has long been the subject of controversy due to its strong coupling, ultrafast time scales and the difficulties that theory faces in describing the relevant electronic states in a balanced fashion. Here we apply Ab Initio Multiple Spawning (AIMS) using state-averaged complete active space multistate second order perturbation theory [SA-3-CAS(4/4)-MSPT2] which describes both static and dynamic electron correlation effects, providing a balanced description of both the initially prepared bright 1 1 B u (ππ*) state and non-adiabatically coupled dark 2 1 A g state of BD. Importantly, AIMS allows for on-the-fly calculations of experimental observables. We validate our approach by directly simulating the time resolved photoelectron-photoion coincidence spectroscopy results presented in Paper I [A. E. Boguslavskiy et al., J. Chem. Phys. 148, 164302 (2018)], demonstrating excellent agreement with experiment. Our simulations reveal that the initial excitation to the 1 1 B u state rapidly evolves via wavepacket dynamics that follow both bright- and dark-state pathways as well as mixtures of these. In order to test the sensitivity of the AIMS results to the relative ordering of states, we considered two hypothetical scenarios biased toward either the bright 1 B u or the dark 2 1 A g state. In contrast with AIMS/SA-3-CAS(4/4)-MSPT2 simulations, neither of these scenarios yields favorable agreement with experiment. Thus, we conclude that the excited state non-adiabatic dynamics in BD involves both of these ultrafast pathways.

Nonadiabatic particle motion in magnetic mirror traps

International Nuclear Information System (INIS)

Irie, H.; Otsuka, S.; Varma, R.K.; Watanabe, T.; Nishikawa, Kyoji.

1982-01-01

By numerical integration of the equation of single particle motion, the basic features of the actual nonadiabatic escape of particles are studied. The results are compared with the predictions of two existing theoretical models: ''diffusion'' model derived by B. V. Chirikov and ''tunneling'' model introduced by R. K. Varma. (author)

Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation

Science.gov (United States)

Church, Matthew S.; Hele, Timothy J. H.; Ezra, Gregory S.; Ananth, Nandini

2018-03-01

We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian in order to treat electronic and nuclear degrees of freedom (dofs) within a consistent dynamic framework. We introduce an efficient symplectic integration scheme, the MInt algorithm, for numerical time evolution of the phase space variables and monodromy matrix under the non-separable MMST Hamiltonian. We then calculate the probability of transmission through a curve crossing in model two-level systems and show that MQC-IVR reproduces quantum-limit semiclassical results in good agreement with exact quantum methods in one limit, and in the other limit yields results that are in keeping with classical limit semiclassical methods like linearized IVR. Finally, exploiting the ability of the MQC-IVR to quantize different dofs to different extents, we present a detailed study of the extents to which quantizing the nuclear and electronic dofs improves numerical convergence properties without significant loss of accuracy.

HIL Simulation of Power Electronics and Electric Drives for Automotive Applications

OpenAIRE

Frank Puschmann; Axel Kiffe; Thomas Schulte

2012-01-01

Hardware-in-the-loop simulation is today a standard method for testing electronic equipment in the automotive industry. Since electric drives and power electronic devices are more and more important in automotive applications, these kinds of systems have to be integrated into the hardware-in-the-loop simulation. Power converters and electric drives are used in many different applications in vehicles today (hybrid electric or electric powertrain, electric steering systems, DC-DC converters, et...

Microelectronics in power electronics and electrical drives

Energy Technology Data Exchange (ETDEWEB)

1982-01-01

From October, 1214, 1982 at Darmstadt (FRG) a meeting took place on ''Microelectronics in power electronics and Electrical Drives''. This volume contains the papers of the 65 lectures, held at the symposium. For each of the 10 papers dealing with problems on electric-powered vehicles a separate subject analysis has been carried out.

Multiphysics simulation by design for electrical machines, power electronics and drives

CERN Document Server

Rosu, Marius; Lin, Dingsheng; Ionel, Dan M; Popescu, Mircea; Blaabjerg, Frede; Rallabandi, Vandana; Staton, David

2018-01-01

This book combines the knowledge of experts from both academia and the software industry to present theories of multiphysics simulation by design for electrical machines, power electronics, and drives. The comprehensive design approach described within supports new applications required by technologies sustaining high drive efficiency. The highlighted framework considers the electric machine at the heart of the entire electric drive. The book also emphasizes the simulation by design concept--a concept that frames the entire highlighted design methodology, which is described and illustrated by various advanced simulation technologies. Multiphysics Simulation by Design for Electrical Machines, Power Electronics and Drives begins with the basics of electrical machine design and manufacturing tolerances. It also discusses fundamental aspects of the state of the art design process and includes examples from industrial practice. It explains FEM-based analysis techniques for electrical machine design--providing deta...

Synergy between electron cyclotron and lower hybrid current drive on Tore Supra

International Nuclear Information System (INIS)

Giruzzi, G.; Artaud, J.F.; Dumont, R.J.; Imbeaux, F.; Bibet, P.; Berger-By, G.; Bouquey, F.; Clary, J.; Darbos, C.; Ekedahl, A.; Hoang, G.T.; Lennholm, M.; Maget, P.; Magne, R.; Segui, J.L.; Bruschi, A.; Granucci, G.

2005-01-01

Improvement (up to a factor ∼ 4) of the electron cyclotron (EC) current drive efficiency in plasmas sustained by lower hybrid (LH) current drive has been demonstrated in stationary conditions on the Tore Supra tokamak. This was made possible by feedback controlled discharges at zero loop voltage, constant plasma current and density. This effect, predicted by kinetic theory, results from a favorable interplay of the velocity space diffusions induced by the two waves: the EC wave pulling low-energy electrons out of the Maxwellian bulk, and the LH wave driving them to high parallel velocities. (author)

Theory of free-electron-laser heating and current drive in magnetized plasmas

International Nuclear Information System (INIS)

Cohen, B.I.; Cohen, R.H.; Nevins, W.M.; Rognlien, T.D.

1991-01-01

The introduction of a powerful new microwave source, the free-electron laser, provides new opportunities for novel heating and current-drive schemes to be used in toroidal fusion devices. This high-power, pulsed source has a number of technical advantages for these applications, and its use is predicted to lead to improved current-drive efficiencies and opacities in reactor-grade fusion plasmas in specific cases. The Microwave Tokamak Experiment at the Lawrence Livermore National Laboratory will provide a test for some of these new heating and current-drive schemes. Although the motivation for much of this research has derived from the application of a free-electron laser to the heating of a tokamak plasma at a frequency near the electron cyclotron frequency, the underlying physics, i.e., the highly nonlinear interaction of an intense, pulsed, coherent electromagnetic wave with an electron in a magnetized plasma including relativistic effects, is of general interest. Other relevant applications include ionospheric modification by radio-frequency waves, high-energy electron accelerators, and the propagation of intense, pulsed electromagnetic waves in space and astrophysical plasmas. This review reports recent theoretical progress in the analysis and computer simulation of the absorption and current drive produced by intense pulses, and of the possible complications that may arise, e.g., parametric instabilities, nonlinear self-focusing, trapped-particle sideband instability, and instabilities of the heated plasma

HEATING AND CURRENT DRIVE BY ELECTRON CYCLOTRON WAVES

International Nuclear Information System (INIS)

Prater, R.

2003-01-01

OAK-B135 The physics model of electron cyclotron heating (ECH) and current drive (ECCD) is becoming well validated through systematic comparisons of theory and experiment. This work has shown that ECH and ECCD can be highly localized and robustly controlled in toroidal plasma confinement systems, leading to applications including stabilization of magnetohydrodynamic (MHD) instabilities like neoclassical tearing modes, control and sustainment of desired profiles of current density and plasma pressure, and studies of localized transport in laboratory plasmas. The experimental work was supported by a broad base of theory based on first principles which is now well encapsulated in linear ray tracing codes describing wave propagation, absorption, and current drive and in fully relativistic quasilinear Fokker-Planck codes describing in detail the response of the electrons to the energy transferred from the wave. The subtle balance between wave-induced diffusion and Coulomb relaxation in velocity space provides an understanding of the effects of trapping of current-carrying electrons in the magnetic well. Strong quasilinear effects and radial transport of electrons, which may broaden the driven current profile, have also been observed under some conditions and appear to be consistent with theory, but in large devices these are usually insignificant. The agreement of theory and experiment, the wide range of established applications, and the technical advantages of ECH support the application of ECH in next-step tokamaks and stellarators

Nonlinear ion-mixing-mode particle transport in the dissipative trapped electron regime

International Nuclear Information System (INIS)

Ware, A.S.; Terry, P.W.

1993-09-01

The nonlinear particle transport arising from the convection of nonadiabatic electron density by ion temperature gradient driven turbulence is examined for trapped electron collisionality regimes. The renormalized dissipative nonadiabatic trapped electron phase space density response is derived and used to calculate the nonlinear particle flux along with an ansatz for the turbulently broadened frequency spectrum. In the lower temperature end of this regime, trapped electrons are collisional and all components of the quasilinear particle flux are outward (i.e., in the direction of the gradients). Nonlinear effects can alter the phase between the nonadiabatic trapped electron phase space density and the electrostatic potential, producing inward components in the particle flux. Specifically, both turbulent shifting of the peak of the frequency spectrum and nonlinear source terms in the trapped electron response can give rise to inward components. However, in the dissipative regime these terms are small and the trapped electron response remains dominantly laminar. When the trapped electrons are collisionless, there is a temperature threshold above which the electron temperature gradient driven component of the quasilinear particle flux changes sign and becomes inward. For finite amplitude turbulence, however, turbulent broadening of both the electron collisional resonance and the frequency spectrum removes tills threshold., and the temperature gradient driven component remains outward

Thermodynamic analysis of a novel exhaust heat-driven non-adiabatic ejection-absorption refrigeration cycle using R290/oil mixture

International Nuclear Information System (INIS)

Li, Keqiao; Cai, Dehua; Liu, Yue; Jiang, Jingkai; Sun, Wei; He, Guogeng

2017-01-01

Graphical abstract: A novel air-cooled non-adiabatic ejection-absorption refrigeration cycle using R290/refrigeration oil has been thermodynamically analyzed. Influences of the ejector and the non-adiabatic absorber applications on the system performance and other system operation parameters have been investigated. The simulation results will be of great help to the miniaturization and practical application of the air-cooled absorption refrigeration system. - Highlights: • A novel air-cooled non-adiabatic ejection-absorption refrigeration cycle is proposed. • Influences of the ejector and the air-cooled non-adiabatic absorber applications on the system performance are investigated. • Variations of system performance and other system operation parameters are investigated. • R290/refrigeration oil mixture used as working pairs is analyzed. - Abstract: This paper thermodynamically analyzes a novel air-cooled non-adiabatic ejection-absorption refrigeration cycle with R290/oil mixture driven by exhaust heat. An ejector located at the upstream of the non-adiabatic absorber is employed to improve the cycle performance. Variations of COP, circulation ratio and component heat load of the system as a function of generating temperature, pressure ratio, absorption temperature, condensing temperature and evaporating temperature have been investigated in this work. The simulation results show that, compared with the conventional absorption refrigeration cycle, this non-adiabatic ejection-absorption refrigeration cycle has higher absorption efficiency, better performance, wider working condition range and lower total heat load and its COP can reach as high as 0.5297. The implementation of the ejector and the non-adiabatic absorber helps to realize the miniaturization and wider application of the absorption refrigeration system. In addition, R290/oil mixture is a kind of highly potential working pairs for absorption refrigeration.

Assessment of Electron-Cyclotron-Current-Drive-Assisted Operation in DEMO

Directory of Open Access Journals (Sweden)

Marushchenko N.B.

2012-09-01

Full Text Available The achievable efficiency for external current drive through electron-cyclotron (EC waves in a demonstration tokamak reactor is discussed. Two possible reactor designs, one for steady state and one for pulsed operation, are considered. It is found that for midplane injection the achievable current drive efficiency is limited by secondharmonic absorption at levels consistent with previous studies. Propagation through the second-harmonic region can be reduced by moving the launch position to the high-field side (this can be obtained by injecting the beam from an upper port in the vacuum vessel. In this case, beam tracing calculations deliver values for the EC current drive efficiency approaching those usually reported for neutral beam current drive.

Nonadiabatic calculations for tdμ relevant for muon catalyzed fusion

International Nuclear Information System (INIS)

Szalewicz, K.; Jeziorski, B.

1991-01-01

Due to the mass effect, muonic molecular ions are about 200 times smaller than their electronic counterparts. The proximity of the nuclei in the tdμ ion results in fusion taking place within a picosecond. The properties of this ion are central to understanding the phenomenon of muon catalysis. The authors developed a computational method of solving the nonadiabatic Schroedinger equation for the bound and resonance states of tdμ and its isotopic analogues. The method takes into account both the Coulomb interactions and the strong nuclear forces responsible for the fusion reaction. The wave functions obtained from this method were used to predict very accurately branching ratios and transition rates relevant for various stages of the muon catalytic cycle. Knowledge of these quantities will guide the experiments and help to answer the question of feasibility of net energy production via muon catalysis

Nonadiabatic corrections to a quantum dot quantum computer

Indian Academy of Sciences (India)

Home; Journals; Pramana – Journal of Physics; Volume 83; Issue 1. Nonadiabatic corrections to a quantum dot quantum computer working in adiabatic limit. M Ávila ... The time of operation of an adiabatic quantum computer must be less than the decoherence time, otherwise the computer would be nonoperative. So far, the ...

Current drive with fast waves, electron cyclotron waves, and neutral injection in the DIII-D tokamak

International Nuclear Information System (INIS)

Prater, R.; Petty, C.C.; Pinsker, R.I.

1993-01-01

Current drive experiments have been performed on the DIII-D tokamak using fast waves, electron cyclotron waves, and neutral injection. Fast wave experiments were performed using a 4-strap antenna with 1 MW of power at 60 MHz. These experiments showed effective heating of electrons, with a global heating efficiency equivalent to that of neutral injection even when the single pass damping was calculated to be as small as 5%. The damping was probably due to the effect of multiple passes of the wave through the plasma. Fast wave current drive experiments were performed with a toroidally directional phasing of the antenna straps. Currents driven by fast wave current drive (FWCD) in the direction of the main plasma current of up to 100 kA were found, not including a calculated 40 kA of bootstrap current. Experiments with FWCD in the counter current direction showed little current drive. In both cases, changes in the sawtooth behavior and the internal inductance qualitatively support the measurement of FWCD. Experiments on electron cyclotron current drive have shown that 100 kA of current can be driven by 1 MW of power at 60 GHz. Calculations with a Fokker-Planck code show that electron cyclotron current drive (ECCD) can be well predicted when the effects of electron trapping and of the residual electric field are included. Experiments on driving current with neutral injection showed that effective current drive could be obtained and discharges with full current drive were demonstrated. Interestingly, all of these methods of current drive had about the same efficiency. (Author)

Communication: Predictive partial linearized path integral simulation of condensed phase electron transfer dynamics

International Nuclear Information System (INIS)

Huo, Pengfei; Miller, Thomas F. III; Coker, David F.

2013-01-01

A partial linearized path integral approach is used to calculate the condensed phase electron transfer (ET) rate by directly evaluating the flux-flux/flux-side quantum time correlation functions. We demonstrate for a simple ET model that this approach can reliably capture the transition between non-adiabatic and adiabatic regimes as the electronic coupling is varied, while other commonly used semi-classical methods are less accurate over the broad range of electronic couplings considered. Further, we show that the approach reliably recovers the Marcus turnover as a function of thermodynamic driving force, giving highly accurate rates over four orders of magnitude from the normal to the inverted regimes. We also demonstrate that the approach yields accurate rate estimates over five orders of magnitude of inverse temperature. Finally, the approach outlined here accurately captures the electronic coherence in the flux-flux correlation function that is responsible for the decreased rate in the inverted regime

Formation of helical electron beams by electrostatic pumping

International Nuclear Information System (INIS)

Barroso, J.J.; Spassovsky, L.P.; Stellati, C.

1993-01-01

A non-adiabatic gun for a 35 GHz, 100 kw gyrotron is presented. A 50 kV, 10 A laminar helical electron beam has been achieved with a perpendicular to parallel velocity ratio of 1.9. A non-adiabatic change of the pumping electric field is used to impart rotational velocity to the beam particles which are extracted at the cathode surface in a direction parallel to the guiding magnetic field. (author)

Current drive with fast waves, electron cyclotron waves, and neutral injection in the DIII-D tokamak

International Nuclear Information System (INIS)

Prater, R.; Petty, C.C.; Pinsker, R.I.; Chiu, S.C.; deGrassie, J.S.; Harvey, R.W.; Ikel, H.; Lin-Liu, Y.R.; Luce, T.C.; James, R.A.; Porkolab, M.; Baity, F.W.; Goulding, R.H.; Hoffmann, D.J.; Kawashima, H.; Trukhin, V.

1992-09-01

Current drive experiments have been performed on the DIII-D tokamak using fast waves, electron cyclotron waves, and neutral injection. Fast wave experiments were performed using a 4-strap antenna with 1 MW of power at 60 MHz. These experiments showed effective heating of electrons, with a global heating efficiency equivalent to that of neutral injection even when the single pass damping was calculated to be as small as 5%. The damping was probably due to the effect of multiple passes of the wave through the plasma. Fast wave current drive experiments were performed with a toroidally directional phasing of the antenna straps. Currents driven by fast wave current drive (FWCD) in the direction of the main plasma current of up to 100 kA were found, not including a calculated 40 kA of bootstrap current. Experiments with FWCD in the counter current direction showed little current drive. In both cases, changes in the sawtooth behavior and the internal inductance qualitatively support the measurement of FWCD. Experiments on electron cyclotron current drive have shown that 100 kA of current can be driven by 1 MW of power at 60 GHz. Calculations with a Fokker-Planck code show that electron cyclotron current drive (ECCD) can be well predicted when the effects of electron trapping and of the residual electric field are included. Experiments on driving current with neutral injection showed that effective current drive could be obtained and discharges with full current drive were demonstrated. Interestingly, all of these methods of current drive had about the same efficiency, 0.015 x 10 20 MA/MW/m 2

Effect of resonant-to-bulk electron momentum transfer on the efficiency of electron-cyclotron current-drive

International Nuclear Information System (INIS)

Matsuda, Y.; Smith, G.R.; Cohen, R.H.

1989-01-01

Efficiency of current drive by electron cyclotron waves is investigated numerically by a bounce-averaged Fokker-Planck code to ellucidate the effects of momentum transfer from resonant to bulk-electrons, finite bulk temperature relative to the energy of resonant electrons, and trapped electrons. Comparisons are made with existing theories to assess their validity and quantitative difference between theory and code results. Difference of nearly a factor of 2 was found in efficiency between some theory and code results. (author)

Electron Bernstein wave current drive in the start-up phase of a tokamak discharge

International Nuclear Information System (INIS)

Montes, A.; Ludwig, G.O.

1986-04-01

Current drive by electron Bernstein waves in the start-up phase of tokamak discharges is studied. A general analytical expression is derived for the figure of merit J/Pd associated with these waves. This is coupled with a ray tracing code, allowing the calculation of the total current generated per unit of incident power in realistic tokamak conditions. The resuts show that the electron Bernstein waves can drive substantial currents even at very low electron temperatures. (Author) [pt

A conservative scheme of drift kinetic electrons for gyrokinetic simulation of kinetic-MHD processes in toroidal plasmas

Science.gov (United States)

Bao, J.; Liu, D.; Lin, Z.

2017-10-01

A conservative scheme of drift kinetic electrons for gyrokinetic simulations of kinetic-magnetohydrodynamic processes in toroidal plasmas has been formulated and verified. Both vector potential and electron perturbed distribution function are decomposed into adiabatic part with analytic solution and non-adiabatic part solved numerically. The adiabatic parallel electric field is solved directly from the electron adiabatic response, resulting in a high degree of accuracy. The consistency between electrostatic potential and parallel vector potential is enforced by using the electron continuity equation. Since particles are only used to calculate the non-adiabatic response, which is used to calculate the non-adiabatic vector potential through Ohm's law, the conservative scheme minimizes the electron particle noise and mitigates the cancellation problem. Linear dispersion relations of the kinetic Alfvén wave and the collisionless tearing mode in cylindrical geometry have been verified in gyrokinetic toroidal code simulations, which show that the perpendicular grid size can be larger than the electron collisionless skin depth when the mode wavelength is longer than the electron skin depth.

Optimized calculation of the synergy conditions between electron cyclotron current drive and lower hybrid current drive on EAST

International Nuclear Information System (INIS)

Wei Wei; Ding Bo-Jiang; Li Miao-Hui; Zhang Xin-Jun; Wang Xiao-Jie; Peysson, Y; Decker, J; Zhang Lei

2016-01-01

The optimized synergy conditions between electron cyclotron current drive (ECCD) and lower hybrid current drive (LHCD) with normal parameters of the EAST tokamak are studied by using the C3PO/LUKE code based on the understanding of the synergy mechanisms so as to obtain a higher synergistic current and provide theoretical reference for the synergistic effect in the EAST experiment. The dependences of the synergistic effect on the parameters of two waves (lower hybrid wave (LHW) and electron cyclotron wave (ECW)), including the radial position of the power deposition, the power value of the LH and EC waves, and the parallel refractive indices of the LHW (N ∥ ) are presented and discussed. (paper)

A relativistic model of electron cyclotron current drive efficiency in tokamak plasmas

Directory of Open Access Journals (Sweden)

Lin-Liu Y.R.

2012-09-01

Full Text Available A fully relativistic model of electron cyclotron current drive (ECCD efficiency based on the adjoint function techniques is considered. Numerical calculations of the current drive efficiency in a tokamak by using the variational approach are performed. A fully relativistic extension of the variational principle with the modified basis functions for the Spitzer function with momentum conservation in the electron-electron collision is described in general tokamak geometry. The model developed has generalized that of Marushchenko’s (N.B . Marushchenko, et al. Fusion Sci. & Tech., 2009, which is extended for arbitrary temperatures and covers exactly the asymptotic for u ≫ 1 when Z → ∞, and suitable for ray-tracing calculations.

Electron heating and current drive by mode converted slow waves

International Nuclear Information System (INIS)

Majeski, R.; Phillips, C.K.; Wilson, J.R.

1994-01-01

An approach to obtaining efficient single pass mode conversion at high parallel wave number from the fast magnetosonic wave to the slow ion Bernstein wave, in a two-ion species tokamak plasma, is described. The intent is to produce localized electron heating or current drive via the mode converted slow wave. In particular, this technique can be adapted to off-axis current drive for current profile control. Modeling for the case of deuterium-tritium plasmas in TFTR is presented

The drive system of 100 MeV electron linear accelerator

International Nuclear Information System (INIS)

Sun Yuzhen; Su Guoping; Wang Xiulong; Tianlu

1988-06-01

The principle, structure, measurement results and technical performances of microwave drive system for 100MeV electron linear accelerator are presented. In this system the peak power of 15 kW is produced by the S bank middle power klystron. The output power of the klystron is divided into six subdrive lines that drive six high power klystrons respectively. The results show the system with simple structure and good characteristics completely meets the requirements of 100 MeV Linac

Electron heating and current drive by mode converted slow waves

International Nuclear Information System (INIS)

Majeski, R.; Phillips, C.K.; Wilson, J.R.

1994-08-01

An approach to obtaining efficient single pass mode conversion at high parallel wavenumber from the fast magnetosonic wave to the slow ion Bernstein wave, in a two ion species tokamak plasma, is described. The intent is to produce localized electron heating or current drive via the mode converted slow wave. In particular, this technique can be adapted to off-axis current drive for current profile control. Modelling for the case of deuterium-tritium plasmas in TFTR is presented

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

Energy Technology Data Exchange (ETDEWEB)

Martínez-Mesa, Aliezer [Departmento de Física Teórica, Universidad de la Habana, San Lázaro y L, La Habana 10400 (Cuba); Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam-Golm (Germany); Saalfrank, Peter [Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam-Golm (Germany)

2015-05-21

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

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

Energy Technology Data Exchange (ETDEWEB)

Coïsson, M. [INRIM, strada delle Cacce 91, 10135 Torino (Italy); Barrera, G. [INRIM, strada delle Cacce 91, 10135 Torino (Italy); University of Torino, Chemistry Department, via P. Giuria 7, 10125 Torino (Italy); Celegato, F.; Martino, L.; Vinai, F. [INRIM, strada delle Cacce 91, 10135 Torino (Italy); Martino, P. [Politronica srl, via Livorno 60, 10144 Torino (Italy); Ferraro, G. [Center for Space Human Robotics, Istituto Italiano di Tecnologia - IIT, corso Trento 21, 10129 Torino (Italy); Tiberto, P. [INRIM, strada delle Cacce 91, 10135 Torino (Italy)

2016-10-01

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

Franck--Condon factors in studies of dynamics of chemical reactions. IV. Nonadiabatic collisions

International Nuclear Information System (INIS)

Zvijac, D.J.; Ross, J.

1978-01-01

We investigate the application of the Franck--Condon approach to nonadiabatic molecular scattering processes. Computationally simple, analytic formulas are developed to describe the energy dependence of quenching of electronically excited atoms by atoms and molecules. These formulas include the dependence of the Franck--Condon factors on the translational wavefunctions as well as the wavefunctions for the internal degrees of freedom. We use these formulas to evaluate the translational energy dependence of the fine structure transition cross sections for F( 2 P/sub 3/2/)+X→F( 2 P/sub 1/2/)+X, where X= Xe, H + , and H 2 . The cross sections generally increase as the initial translational energy increases. Our results agree semiquantiatively (or better) with those obtained from other theoretical techniques. In the case of F+H + we find that the absolute cross section is sensitive to the analytic form used for the nonadiabatic coupling but our model gives the correct energy dependence. At the energies of our calculations we find only a small amount of vibrational excitation of H 2 . Finally, we use our expressions to interpret some trends of available experimental results on the quenching of Hg ( 3 P 2 → 3 P 1 ) by several molecules. We find that collisional excitation of the internal modes of the molecule becomes more important as the initial translational energy increases. However, these modes do not contribute to the quenching cross section in a statistical fashion

Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

International Nuclear Information System (INIS)

Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon

2014-01-01

The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents for a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible

Effect of resonant-to-bulk electron momentum transfer on the efficiency of electron-cyclotron current drive

International Nuclear Information System (INIS)

Matsuda, Y.; Smith, G.R.; Cohen, R.H.

1988-01-01

Efficiency of current drive by electron-cyclotron waves is investigated numerically by a bounce-average Fokker-Planck code to elucidate the effects of momentum transfer from resonant to bulk electrons, finite bulk temperature relative to the energy of resonant electrons, and trapped electrons. Comparisons are made with existing theories to assess their validity and quantitative difference between theory and code results. Difference of nearly a factor of 2 was found in efficiency between some theory and code results. 4 refs., 4 figs

Nonadiabatic geometrical quantum gates in semiconductor quantum dots

International Nuclear Information System (INIS)

Solinas, Paolo; Zanghi, Nino; Zanardi, Paolo; Rossi, Fausto

2003-01-01

In this paper, we study the implementation of nonadiabatic geometrical quantum gates with in semiconductor quantum dots. Different quantum information enconding (manipulation) schemes exploiting excitonic degrees of freedom are discussed. By means of the Aharanov-Anandan geometrical phase, one can avoid the limitations of adiabatic schemes relying on adiabatic Berry phase; fast geometrical quantum gates can be, in principle, implemented

Power electronic converter systems for direct drive renewable energy applications

DEFF Research Database (Denmark)

Chen, Zhe

2013-01-01

This chapter presents power electronic conversion systems for wind and marine energy generation applications, in particular, direct drive generator energy conversion systems. Various topologies are presented and system design optimization and reliability are briefly discussed....

Nonadiabatic quantum dynamics and laser control of Br2 in solid argon.

Science.gov (United States)

Accardi, A; Borowski, A; Kühn, O

2009-07-02

A five-dimensional reaction surface-vibronic coupling model is introduced to describe the B- to C-state predissociation dynamics of Br(2) occupying a double substitutional lattice site in a face-centered cubic argon crystal at low temperatures. The quantum dynamics driven by a Franck-Condon vertical excitation is investigated, revealing the role of matrix cage compression for efficient nonadiabatic transitions. Vibrational preexcitation of the Br(2) bond in the electronic ground state can be used to access a different regime of predissociation which does not require substantial matrix compression because the Franck-Condon window shifts into the energetic range of the B-C level crossing. Using optimal control theory, it is shown how vibrational preexcitation can be achieved via a pump-dump-type mechanism involving the repulsive C state.

Electric drives

CERN Document Server

Boldea, Ion

2005-01-01

ENERGY CONVERSION IN ELECTRIC DRIVESElectric Drives: A DefinitionApplication Range of Electric DrivesEnergy Savings Pay Off RapidlyGlobal Energy Savings Through PEC DrivesMotor/Mechanical Load MatchMotion/Time Profile MatchLoad Dynamics and StabilityMultiquadrant OperationPerformance IndexesProblemsELECTRIC MOTORS FOR DRIVESElectric Drives: A Typical ConfigurationElectric Motors for DrivesDC Brush MotorsConventional AC MotorsPower Electronic Converter Dependent MotorsEnergy Conversion in Electric Motors/GeneratorsPOWER ELECTRONIC CONVERTERS (PECs) FOR DRIVESPower Electronic Switches (PESs)The

Numerical analysis on the synergy between electron cyclotron current drive and lower hybrid current drive in tokamak plasmas

International Nuclear Information System (INIS)

Chen, S Y; Hong, B B; Liu, Y; Lu, W; Huang, J; Tang, C J; Ding, X T; Zhang, X J; Hu, Y J

2012-01-01

The synergy between electron cyclotron current drive (ECCD) and lower hybrid current drive (LHCD) is investigated numerically with the parameters of the HL-2A tokamak. Based on the understanding of the synergy mechanisms, a high current driven efficiency or a desired radial current profile can be achieved through properly matching the parameters of ECCD and LHCD due to the flexibility of ECCD. Meanwhile, it is found that the total current driven by the electron cyclotron wave (ECW) and the lower hybrid wave (LHW) simultaneously can be smaller than the sum of the currents driven by the ECW and LHW separately, when the power of the ECW is much larger than the LHW power. One of the reasons leading to this phenomenon (referred to as negative synergy in this context) is that fast current-carrying electrons tend to be trapped, when the perpendicular velocity driven by the ECW is large and the parallel velocity decided by the LHW is correspondingly small. (paper)

Particle simulation of intense electron cyclotron heating and beat-wave current drive

International Nuclear Information System (INIS)

Cohen, B.I.

1987-01-01

High-power free-electron lasers make new methods possible for heating plasmas and driving current in toroidal plasmas with electromagnetic waves. We have undertaken particle simulation studies with one and two dimensional, relativistic particle simulation codes of intense pulsed electron cyclotron heating and beat-wave current drive. The particle simulation methods here are conventional: the algorithms are time-centered, second-order-accurate, explicit, leap-frog difference schemes. The use of conventional methods restricts the range of space and time scales to be relatively compact in the problems addressed. Nevertheless, experimentally relevant simulations have been performed. 10 refs., 2 figs

Dynamics of coupled electron-nuclei-systems in laser fields

International Nuclear Information System (INIS)

Falge, Mirjam

2012-01-01

This work aimed at the theoretical analysis of high harmonic generation in molecules and the influence of coupled electron and nuclear dynamics on ultra-short pulse ionization processes. In the first part of this thesis, the isotope effect and influence of vibrational excitation on high harmonic generation were investigated for the isotope pairs H 2 O/D 2 O and H 2 /D 2 . It was shown that on the one hand high harmonic intensities strongly depend on the vibrational quantum number of the initial state of the water molecule and on the other hand the spectra of H 2 O and D 2 O exhibit a clear isotope effect for certain vibrationally excited states. Also it was shown that high harmonics of vibrationally excited states show an even more pronounced isotope effect than the ground state. The second and third part of this work treats the influence of coupled electron and nuclear dynamics on photoelectron spectra. In order to facilitate a numerically exact description of this dynamics, a simple one-dimensional model system (Shin-Metiu model) was used. It consists of only a single electronic and nuclear degree-of-freedom and allows for a switching between adiabatic and strongly non-adiabatic dynamics by its parameterization. This model served for the analysis of the dynamics of three different cases ranging from weak over intermediate to strong electron-nuclear coupling. To investigate the influence of non-adiabatic effects on photoelectron spectra, time-resolved photoelectron spectra were calculated applying two methods: a numerically exact treatment and an adiabatic approach neglecting the electron-nuclear coupling. Subsequently, the dependence of the efficiency of a non-adiabatic transition on the nuclear mass was analysed. To this end, the population dynamics and photoelectron spectra were calculated numerically exactly for a strong electron and nuclear coupling. Thereafter the asymmetry in forward and backward direction of time-resolved photoelectron spectra and the

Non-adiabatic rotational excitation of dipolar molecule under the ...

Indian Academy of Sciences (India)

J. Chem. Sci. Vol. 125, No. 5, September 2013, pp. 1213–1221. c Indian Academy of Sciences. ... The rotational wave packets of LiCl molecule excited non-adiabatically by half cycle pulse. (HCP) is .... pared to the intensities required for the ionization of ..... out and with delayed ultrashort HCP at different initial pulse dura-.

Cross effects on electron-cyclotron and lower-hybrid current drive in tokamak plasmas

International Nuclear Information System (INIS)

Fidone, I.; Giruzzi, G.; Krivenski, V.; Mazzucato, E.; Ziebell, L.F.

1986-11-01

Electron cyclotron resonance current drive in a tokamak plasma in the presence of a lower hybrid tail is investigated using a 2D Fokker-Planck code. For an extraordinary mode at oblique propagation and down-shifted frequency it is shown that the efficiency of electron cyclotron current drive becomes, i) substantially greater than the corresponding efficiency of a Maxwellian plasma at the same bulk temperature, ii) equal or greater than that of the lower hybrid waves, iii) comparable with the efficiency of a Maxwellian plasma at much higher temperature. This enhancement results from a beneficial cross-effect of the two waves on the formation of the current carrying electron tail. (5 fig; 17 refs)

Electron cyclotron current drive experiments on DIII-D

International Nuclear Information System (INIS)

James, R.A.; Giruzzi, G.; Gentile, B. de; Rodriguez, L.; Fyaretdinov, A.; Gorelov, Yu.; Trukhin, V.; Harvey, R.; Lohr, J.; Luce, T.C.; Matsuda, K.; Politzer, P.; Prater, R.; Snider, R.; Janz, S.

1990-05-01

Electron Cyclotron Current Drive (ECCD) experiments on the DIII-D tokamak have been performed using 60 GHz waves launched from the high field side of the torus. Preliminary analysis indicates rf driven currents between 50 and 100 kA in discharges with total plasma currents between 200 and 500 kA. These are the first ECCD experiments with strong first pass absorption, localized deposition of the rf power, and τ E much longer than the slowing-down time of the rf generated current carriers. The experimentally measured profiles for T e , η e and Z eff are used as input for a 1D transport code and a multiply-ray, 3D ray tracing code. Comparisons with theory and assessment of the influence of the residual electric field, using a Fokker-Planck code, are in progress. The ECH power levels were between 1 and 1.5 MW with pulse lengths of about 500 msec. ECCD experiments worldwide are motivated by issues relating to the physics and technical advantages of the use of high frequency rf waves to drive localized currents. ECCD is accomplished by preferentially heating electrons moving in one toroidal direction, reducing their collisionality and thereby producing a non-inductively driven toroidal current. 6 refs., 4 figs

Electron cyclotron current drive experiments on DIII-D

Energy Technology Data Exchange (ETDEWEB)

James, R.A. (Lawrence Livermore National Lab., CA (USA)); Giruzzi, G.; Gentile, B. de; Rodriguez, L. (Association Euratom-CEA, Centre d' Etudes Nucleaires de Cadarache, 13 - Saint-Paul-les-Durance (France)); Fyaretdinov, A.; Gorelov, Yu.; Trukhin, V. (Kurchatov Inst. of Atomic Energy, Moscow (USSR)); Harvey, R.; Lohr, J.; Luce, T.C.; Matsuda, K.; Politzer, P.; Prater, R.; Snider, R. (General Atomics, San Di

1990-05-01

Electron Cyclotron Current Drive (ECCD) experiments on the DIII-D tokamak have been performed using 60 GHz waves launched from the high field side of the torus. Preliminary analysis indicates rf driven currents between 50 and 100 kA in discharges with total plasma currents between 200 and 500 kA. These are the first ECCD experiments with strong first pass absorption, localized deposition of the rf power, and {tau}{sub E} much longer than the slowing-down time of the rf generated current carriers. The experimentally measured profiles for T{sub e}, {eta}{sub e} and Z{sub eff} are used as input for a 1D transport code and a multiply-ray, 3D ray tracing code. Comparisons with theory and assessment of the influence of the residual electric field, using a Fokker-Planck code, are in progress. The ECH power levels were between 1 and 1.5 MW with pulse lengths of about 500 msec. ECCD experiments worldwide are motivated by issues relating to the physics and technical advantages of the use of high frequency rf waves to drive localized currents. ECCD is accomplished by preferentially heating electrons moving in one toroidal direction, reducing their collisionality and thereby producing a non-inductively driven toroidal current. 6 refs., 4 figs.

Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.

Science.gov (United States)

Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon

2018-04-05

The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.

Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H2 on Ag(111)

Science.gov (United States)

Maurer, Reinhard J.; Jiang, Bin; Guo, Hua; Tully, John C.

2017-06-01

Electronic friction and the ensuing nonadiabatic energy loss play an important role in chemical reaction dynamics at metal surfaces. Using molecular dynamics with electronic friction evaluated on the fly from density functional theory, we find strong mode dependence and a dominance of nonadiabatic energy loss along the bond stretch coordinate for scattering and dissociative chemisorption of H2 on the Ag(111) surface. Exemplary trajectories with varying initial conditions indicate that this mode specificity translates into modulated energy loss during a dissociative chemisorption event. Despite minor nonadiabatic energy loss of about 5%, the directionality of friction forces induces dynamical steering that affects individual reaction outcomes, specifically for low-incidence energies and vibrationally excited molecules. Mode-specific friction induces enhanced loss of rovibrational rather than translational energy and will be most visible in its effect on final energy distributions in molecular scattering experiments.

Benchmarking of codes for electron cyclotron heating and electron cyclotron current drive under ITER conditions

NARCIS (Netherlands)

Prater, R.; Farina, D.; Gribov, Y.; Harvey, R. W.; Ram, A. K.; Lin-Liu, Y. R.; Poli, E.; Smirnov, A. P.; Volpe, F.; Westerhof, E.; Zvonkovo, A.

2008-01-01

Optimal design and use of electron cyclotron heating requires that accurate and relatively quick computer codes be available for prediction of wave coupling, propagation, damping and current drive at realistic levels of EC power. To this end, a number of codes have been developed in laboratories

Electron Heating and Acceleration in a Reconnecting Magnetotail

Science.gov (United States)

El-Alaoui, M.; Zhou, M.; Lapenta, G.; Berchem, J.; Richard, R. L.; Schriver, D.; Walker, R. J.

2017-12-01

Electron heating and acceleration in the magnetotail have been investigated intensively. A major site for this process is the reconnection region. However, where and how the electrons are accelerated in a realistic three-dimensional X-line geometry is not fully understood. In this study, we employed a three-dimensional implicit particle-in-cell (iPIC3D) simulation and large-scale kinetic (LSK) simulation to address these problems. We modeled a magnetotail reconnection event observed by THEMIS in an iPIC3D simulation with initial and boundary conditions given by a global magnetohydrodynamic (MHD) simulation of Earth's magnetosphere. The iPIC3D simulation system includes the region of fast outflow emanating from the reconnection site that drives dipolarization fronts. We found that current sheet electrons exhibit elongated (cigar-shaped) velocity distributions with a higher parallel temperature. Using LSK we then followed millions of test electrons using the electromagnetic fields from iPIC3D. We found that magnetotail reconnection can generate power law spectra around the near-Earth X-line. A significant number of electrons with energies higher than 50 keV are produced. We identified several acceleration mechanisms at different locations that were responsible for energizing these electrons: non-adiabatic cross-tail drift, betatron and Fermi acceleration. Relative contributions to the energy gain of these high energy electrons from the different mechanisms will be discussed.

Impact of Turbocharger Non-Adiabatic Operation on Engine Volumetric Efficiency and Turbo Lag

Directory of Open Access Journals (Sweden)

S. Shaaban

2012-01-01

Full Text Available Turbocharger performance significantly affects the thermodynamic properties of the working fluid at engine boundaries and hence engine performance. Heat transfer takes place under all circumstances during turbocharger operation. This heat transfer affects the power produced by the turbine, the power consumed by the compressor, and the engine volumetric efficiency. Therefore, non-adiabatic turbocharger performance can restrict the engine charging process and hence engine performance. The present research work investigates the effect of turbocharger non-adiabatic performance on the engine charging process and turbo lag. Two passenger car turbochargers are experimentally and theoretically investigated. The effect of turbine casing insulation is also explored. The present investigation shows that thermal energy is transferred to the compressor under all circumstances. At high rotational speeds, thermal energy is first transferred to the compressor and latter from the compressor to the ambient. Therefore, the compressor appears to be “adiabatic” at high rotational speeds despite the complex heat transfer processes inside the compressor. A tangible effect of turbocharger non-adiabatic performance on the charging process is identified at turbocharger part load operation. The turbine power is the most affected operating parameter, followed by the engine volumetric efficiency. Insulating the turbine is recommended for reducing the turbine size and the turbo lag.

A 120kV IGBT modulator for driving a Pierce electron gun

International Nuclear Information System (INIS)

Earley, Lawrence M.; Brown, Richard W.; Carlson, Randolph L.; Ferguson, Patrick; Haynes, William B.; Kirbie, Hugh C.; Russell, Steven J.; Sigler, Floyd E.; Smirnova, Evgenya I.; Wheat, Robert M. Jr.

2004-01-01

An IGBT modulator has been developed to drive a 120 kV, 23 A Pierce electron gun. The modulator is capable of producing pulses up to 10 μs in width at repetition rates up to 10Hz with no active reset. The pulse rise time on the electron gun will be approximately 2 μs and the remaining 8 μs of flattop is tuned to have a ripple of less than 1 percent rms. The modulator technology was developed from a previous 50 kV prototype. The modulator consists of six boards, each with one EUPEC IGBT that drives a single common step-up transformer wound on METGLAS 2605SC cores. The six transformer cores share a common bi-filar output secondary winding. The modulator uses a fiber optic trigger system and has a high voltage cable output with an epoxy receptacle on the oil end and a ceramic receptacle on the vacuum end. The 120 kV electron gun was manufactured by MDS Co. and will be used to generate sheet electron beams from the standard pencil beam produced by the Pierce electron gun.

A New Approach in Teaching Power Electronics Control of Electrical Drives using Real-Time

DEFF Research Database (Denmark)

Teodorescu, Remus; Bech, Michael Møller; Blaabjerg, Frede

2000-01-01

A new approach in teaching power electronics and electrical drives is achieved at the Flexible Drives System Laboratory (FDSL) from Aalborg University by using the new Total Development Environment (TDE) concept that allows a full visual block-oriented programming of dynamic real-time systems...

Optimum launching of electron-cyclotron power for localized current drive in a hot tokamak

International Nuclear Information System (INIS)

Smith, G.R.

1989-05-01

Optimum launch parameters are determined for localized electron-cyclotron current drive near the magnetic axis and the q=2 surface by solving several minimization problems. For central current drive, equatorial and bottom launch are compared. Localized current drive near q=2 is studied for equatorial launch and for an alternative outside launch geometry that may be better for suppressing tearing modes and controlling disruptions. 6 refs., 2 figs

Non-adiabatic generator-coordinate calculation of H2+

International Nuclear Information System (INIS)

Tostes, J.G.R.; Para Univ., Belem; Toledo Piza, A.F.R. de

1982-10-01

A non-adiabatic calculation of the few lowest J=O states in the H 2+ molecule done within the framework of the Generator Coordinate Method is reported. Substantial accuracy is achivied with the diagonalization of matrices of very modest dimensions. The resulting wavefunctions are strongly dominated by just a few basis states. The computational scheme is set up so as to take the best advantage of good analytical approximations to existing adiabatic molecular wavefunctions. (Author) [pt

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

Science.gov (United States)

Zamstein, Noa; Tannor, David J

2012-12-14

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

Electronic structure and driving forces in β-cyclodextrin: Diclofenac inclusion complexes

International Nuclear Information System (INIS)

Bogdan, Diana; Morari, C.

2007-01-01

We investigate the geometry and electronic structure for complexes of β-cyclodextrin with diclofenac using DFT calculations. The effect of solvent is explicitly taken into account. This investigation allows us to draw meaningful conclusions upon the stability of the complex and the nature of the driving forces leading to the complexation process. In particular we emphasize the role of the water, by pointing out the changes in the solvent's electronic structure for different docking geometries

Electron cyclotron current drive predictions for ITER: Comparison of different models

International Nuclear Information System (INIS)

Marushchenko, N.B.; Maassberg, H.; Beidler, C.D.; Turkin, Yu.

2007-01-01

Full text: Due to its high localization and operational flexibility, Electron Cyclotron Current Drive (ECCD) is envisaged for stabilizing the Neoclassical Tearing Mode (NTM) in tokamaks and correcting the rotational transform profile in stellarators. While the spatial location of the electron cyclotron resonant interaction is usually calculated by the ray-tracing technique, numerical tools for calculating the ECCD efficiency are not so common. Two different methods are often applied: i) direct calculation by Fokker-Planck modelling, and ii) by the adjoint approach technique. In the present report we analyze and compare different models used in the adjoint approach technique from the point of view of ITER applications. The numerical tools for calculating the ECCD efficiency developed to date do not completely cover the range of collisional regimes for the electrons involved in the current drive. Only two opposite limits are well developed, collisional and collisionless. Nevertheless, for the densities and temperatures expected for ECCD application in ITER, the collisionless limit model (with trapped particles taken into account) is quite suitable. We analyze the requisite ECCD scenarios with help of the new ray tracing code TRAVIS with the adjoint approach implemented. The (adjoint) Green's function applied for the current drive calculations is formulated with momentum conservation taken into account; this is especially important and even crucial for scenarios, in which mainly bulk electrons are responsible for absorption of the RF power. For comparison, the most common 'high speed limit' model in which the collision operator neglects the integral part and which is approximated by terms valid only for the tail electrons, produces an ECCD efficiency which is an underestimate for some cases by a factor of about 2. In order to select the appropriate model, a rough criterion of 'high speed limit' model applicability is formulated. The results are verified also by

Electronic Medical Record Documentation of Driving Safety for Veterans with Diagnosed Dementia.

Science.gov (United States)

Vair, Christina L; King, Paul R; Gass, Julie; Eaker, April; Kusche, Anna; Wray, Laura O

2018-01-01

Many older adults continue to drive following dementia diagnosis, with medical providers increasingly likely to be involved in addressing such safety concerns. This study examined electronic medical record (EMR) documentation of driving safety for veterans with dementia (N = 118) seen in Veterans Affairs primary care and interdisciplinary geriatrics clinics in one geographic region over a 10-year period. Qualitative directed content analysis of retrospective EMR data. Assessment of known risk factors or subjective concerns for unsafe driving were documented in fewer than half of observed cases; specific recommendations for driving safety were evident for a minority of patients, with formal driving evaluation the most frequently documented recommendation by providers. Utilizing data from actual clinical encounters provides a unique snapshot of how driving risk and safety concerns are addressed for veterans with dementia. This information provides a meaningful frame of reference for understanding potential strengths and possible gaps in how this important topic area is being addressed in the course of clinical care. The EMR is an important forum for interprofessional communication, with documentation of driving risk and safety concerns an essential element for continuity of care and ensuring consistency of information delivered to patients and caregivers.

Experimental investigation of the reverse heat transfer of R134a flow through non-adiabatic coiled capillary tubes

Energy Technology Data Exchange (ETDEWEB)

Zareh, Masoud; Heidari, Mohammad Ghorbani [Islamic Azad University, Tehran (Iran, Islamic Republic of)

2016-07-15

This research represents an experimental investigation of the metastable flow and re-condensation phenomenon through non-adiabatic lateral helical capillary tubes and suction tube heat exchanger. The results show that mass flux ratio has a vital role: It affects metastable flow and also reverse heat transfer phenomenon through non-adiabatic helical capillary tube. Therefore, by increasing of the mass flux ratio, the rate of heat transfer between them decreases. In contrast to the strong rate condition of heat transfer between them, reverse heat transfer or re-condensation maybe happen. Moreover, experimental results show that for R134 flow with mass flux ratio more than 57.84, metastable flow exists in non-adiabatic capillary tube with 0.9144 mm inner diameter, 30 mm coil diameter, 6.18 m length, 4 mm inner diameter of compressor suction tube.

Drug and alcohol-impaired driving among electronic music dance event attendees.

Science.gov (United States)

Furr-Holden, Debra; Voas, Robert B; Kelley-Baker, Tara; Miller, Brenda

2006-10-15

Drug-impaired driving has received increased attention resulting from development of rapid drug-screening procedures used by police and state laws establishing per se limits for drug levels in drivers. Venues that host electronic music dance events (EMDEs) provide a unique opportunity to assess drug-impaired driving among a high proportion of young adult drug users. EMDEs are late-night dance parties marked by a substantial number of young adult attendees and elevated drug involvement. No studies to date have examined drug-impaired driving in a natural environment with active drug and alcohol users. Six EMDEs were sampled in San Diego, California, and Baltimore, Maryland. A random sample of approximately 40 attendees per event were administered surveys about alcohol and other drug (AOD) use and driving status, given breath tests for alcohol, and asked to provide oral fluid samples to test for illicit drug use upon entering and exiting the events. Driving status reduced the level of alcohol use (including abstaining) but the impact on drug-taking was not significant. However, 62% of individuals who reported their intention to drive away from the events were positive for drugs or alcohol upon leaving. This suggests that these events and settings are appropriate ones for developing interventions for reducing risks for young adults.

Observational tests of non-adiabatic Chaplygin gas

Energy Technology Data Exchange (ETDEWEB)

Carneiro, S.; Pigozzo, C., E-mail: saulo.carneiro@pq.cnpq.br, E-mail: cpigozzo@ufba.br [Instituto de Física, Universidade Federal da Bahia, Campus de Ondina, Salvador, BA 40210-340 (Brazil)

2014-10-01

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

Onset of turbulence induced by electron nonthermality in a complex plasma in presence of positively charged dust grains

Directory of Open Access Journals (Sweden)

Susmita Sarkar

2018-03-01

Full Text Available In this paper onset of turbulence has been detected from the study of non linear dust acoustic wave propagation in a complex plasma considering electrons nonthermal and equilibrium dust charge positive. Dust grains are charged by secondary electron emission process. Our analysis shows that increase in electron nonthermality makes the grain charging process faster by reducing the magnitude of the nonadiabaticity induced pseudo viscosity. Consequently nature of dust charge variation changes from nonadiabatic to adiabatic one. For further increase of electron nonthermality, this pseudo viscosity becomes negative and hence generates a turbulent grain charging behaviour. This turbulent grain charging phenomenon is exclusively the outcome of this nonlinear study which was not found in linear analysis.

The nonadiabatic deactivation paths of pyrrole

International Nuclear Information System (INIS)

Barbatti, Mario; Vazdar, Mario; Aquino, Adelia J. A.; Eckert-Maksic, Mirjana; Lischka, Hans

2006-01-01

Multireference configuration interaction (MRCI) calculations have been performed for pyrrole with the aim of providing an explanation for the experimentally observed photochemical deactivation processes. Potential energy curves and minima on the crossing seam were determined using the analytic MRCI gradient and nonadiabatic coupling features of the COLUMBUS program system. A new deactivation mechanism based on an out-of-plane ring deformation is presented. This mechanism directly couples the charge transfer 1 ππ* and ground states. It may be responsible for more than 50% of the observed photofragments of ππ*-excited pyrrole. The ring deformation mechanism should act complementary to the previously proposed NH-stretching mechanism, thus offering a more complete interpretation of the pyrrole photodynamics

Electronic structure and driving forces in {beta}-cyclodextrin: Diclofenac inclusion complexes

Energy Technology Data Exchange (ETDEWEB)

Bogdan, Diana [National Institute for Research and Development of Isotopic and Molecular Technologies, Donath street 71-103, 400293 Cluj-Napoca (Romania); Morari, C. [National Institute for Research and Development of Isotopic and Molecular Technologies, Donath street 71-103, 400293 Cluj-Napoca (Romania)]. E-mail: cristim@s3.itim-cj.ro

2007-07-02

We investigate the geometry and electronic structure for complexes of {beta}-cyclodextrin with diclofenac using DFT calculations. The effect of solvent is explicitly taken into account. This investigation allows us to draw meaningful conclusions upon the stability of the complex and the nature of the driving forces leading to the complexation process. In particular we emphasize the role of the water, by pointing out the changes in the solvent's electronic structure for different docking geometries.

Particle pitch angle diffusion due to nonadiabatic effects in the plasma sheet

International Nuclear Information System (INIS)

Gray, P.C.; Lee, L.C.

1982-01-01

In order to understand certain aspects of the plasma sheet dynamics, a numerical study of the nonadiabatic behavior of particles in a model field geometry is performed. The particle's magnetic moment as a function of time is calculated for various initial parameters, corresponding to various particle energies and degrees of field curvature. It is shown that the magnetic moment changes as the particle passes through the plasma sheet and that the magnitude of the change is related to the curvature of the field at the middle of the plasma sheet. The relation of the magnitude of the change in magnetic moment to the particle's pitch and phase angles as it passes through the sheet is numerically resolved. The nature of the change may be considered as a mechanism for pitch angle diffusion, and the diffusion coefficient is calculated. This scattering mechanism is significant for plasma sheet ions (1--10 keV) as well as energetic electrons (>100 keV)

Electrical drives for direct drive renewable energy systems

CERN Document Server

Mueller, Markus

2013-01-01

Wind turbine gearboxes present major reliability issues, leading to great interest in the current development of gearless direct-drive wind energy systems. Offering high reliability, high efficiency and low maintenance, developments in these direct-drive systems point the way to the next generation of wind power, and Electrical drives for direct drive renewable energy systems is an authoritative guide to their design, development and operation. Part one outlines electrical drive technology, beginning with an overview of electrical generators for direct drive systems. Principles of electrical design for permanent magnet generators are discussed, followed by electrical, thermal and structural generator design and systems integration. A review of power electronic converter technology and power electronic converter systems for direct drive renewable energy applications is then conducted. Part two then focuses on wind and marine applications, beginning with a commercial overview of wind turbine drive systems and a...

Approximations to the non-adiabatic particle response in toroidal geometry

International Nuclear Information System (INIS)

Schep, T.J.; Braams, B.J.

1981-08-01

The non-adiabatic part of the particle response to low-frequency electromagnetic modes with long parallel wavelengths is discussed. Analytic approximations to the kernels of the integrals that relate the amplitudes of the perturbed potentials to the non-adiabatic part of the perturbed density in an axisymmetric toroidal configuration are presented and the results are compared with numerical calculations. It is shown that both in the plane slab and in toroidal geometry the kernel contains a logarithmic singularity. This singularity is associated with particles with vanishing parallel velocity so that, in toroidal geometry, it is related with the behaviour of trapped particles near their turning points. In contrast to the plane slab, in toroidal geometry this logarithmic singularity is mainly real and associated with non-resonant particles. Apart from this logarithmic term, the kernel contains a complex regular part arising from resonant as well as from non-resonant particles. The analytic approximations that will be presented make the dispersion relation of drift-type modes in toroidal geometry amenable to analytic as well as to simpler numerical calculation of the growth rate and of the spatial mode structure

Development of a model for dimethyl ether non-adiabatic reactors to improve methanol conversion

Energy Technology Data Exchange (ETDEWEB)

Nasrollahi, Fatemeh [University of Tehran, Tehran (Iran, Islamic Republic of); Bakeri, Gholamreza; Rahimnejad, Mostafa [Babol Noshirvani University of Technology, Babol (Iran, Islamic Republic of); Ismail, Ahmad Fauzi [Universiti Teknologi Malaysia, Skudai (Malaysia); Imanian, Mahdi [Mohajer Technical University, Isfahan (Iran, Islamic Republic of)

2013-10-15

The modeling of adiabatic and non-adiabatic reactors, using three cooling mediums in the shell side of a shell and tube reactor in cocurrent and countercurrent flow regimes has been conducted. The cooling mediums used in this research are saturated water and methanol feed gas to a reactor which is preheated in the shell side and a special type of oil. The results of adiabatic reactor modeling show good compatibility with the data received from a commercial plant. The results of non-adiabatic reactor modeling showed that more methanol conversion can be achieved in a lower length of reactor, even though in some cases the maximum temperature in the tube side of the reactor is more than the deactivation temperature of the catalyst.

1ST-ORDER NONADIABATIC COUPLING MATRIX-ELEMENTS FROM MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD RESPONSE THEORY

DEFF Research Database (Denmark)

Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.

1992-01-01

A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response of a ref......A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response...... to the full configuration interaction limit. Comparisons are made with state-averaged MCSCF results for MgH2 and finite-difference configuration interaction by perturbation with multiconfigurational zeroth-order wave function reflected by interactive process (CIPSI) results for BH....

Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions

Czech Academy of Sciences Publication Activity Database

Zobač, Vladimír; Lewis, J.P.; Jelínek, Pavel

2016-01-01

Roč. 27, č. 28 (2016), 1-8, č. článku 285202. ISSN 0957-4484 R&D Projects: GA ČR(CZ) GA14-02079S Institutional support: RVO:68378271 Keywords : non-adiabatic molecular dynamics * molecular junctions * molecular switches * DFT Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.440, year: 2016

TREATMENT OF NONADIABATIC TRANSITIONS BY DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS

NARCIS (Netherlands)

MAVRI, J; BERENDSEN, HJC

1994-01-01

A density matrix evolution (DME) method (H.J.C. Berendsen and J. Mavri, J. Phys. Chem., 97 (1993) 13469) to simulate the dynamics of quantum systems embedded in a classical environment is presented. The DME method allows treatment of nonadiabatic transitions. As numerical examples the collinear

Nonlocal and Nonadiabatic Effects in the Charge-Density Response of Solids: A Time-Dependent Density-Functional Approach

Science.gov (United States)

Panholzer, Martin; Gatti, Matteo; Reining, Lucia

2018-04-01

The charge-density response of extended materials is usually dominated by the collective oscillation of electrons, the plasmons. Beyond this feature, however, intriguing many-body effects are observed. They cannot be described by one of the most widely used approaches for the calculation of dielectric functions, which is time-dependent density functional theory (TDDFT) in the adiabatic local density approximation (ALDA). Here, we propose an approximation to the TDDFT exchange-correlation kernel which is nonadiabatic and nonlocal. It is extracted from correlated calculations in the homogeneous electron gas, where we have tabulated it for a wide range of wave vectors and frequencies. A simple mean density approximation allows one to use it in inhomogeneous materials where the density varies on a scale of 1.6 rs or faster. This kernel contains effects that are completely absent in the ALDA; in particular, it correctly describes the double plasmon in the dynamic structure factor of sodium, and it shows the characteristic low-energy peak that appears in systems with low electronic density. It also leads to an overall quantitative improvement of spectra.

Vibrational nonadiabaticity and tunneling effects in transition state theory

International Nuclear Information System (INIS)

Marcus, R.A.

1979-01-01

The usual quantum mechanical derivation of transition state theory is a statistical one (a quasi-equilibrium is assumed) or dynamical. The typical dynamical one defines a set of internal states and assumes vibrational adiabaticity. Effects of nonadiabaticity before and after the transition state are included in the present derivation, assuming a classical treatment of the reaction coordinate. The relation to a dynamical derivation of classical mechanical transition state theory is described, and tunneling effects are considered

Electron cyclotron current drive efficiency in an axisymmetric tokamak

Energy Technology Data Exchange (ETDEWEB)

Gutierrez-Tapia, C.; Beltran-Plata, M. [Instituto Nacional de Investigaciones Nucleares, Dept. de Fisica, Mexico D.F. (Mexico)

2004-07-01

The neoclassical transport theory is applied to calculate electron cyclotron current drive (ECCD) efficiency in an axisymmetric tokamak in the low-collisionality regime. The tokamak ordering is used to obtain a system of equations that describe the dynamics of the plasma where the nonlinear ponderomotive (PM) force due to high-power radio-frequency (RF) waves is included. The PM force is produced around an electron cyclotron resonant surface at a specific poloidal location. The ECCD efficiency is analyzed in the cases of first and second harmonics (for different impinging angles of the RF waves) and it is validated using experimental parameter values from TCV and T-10 tokamaks. The results are in agreement with those obtained by means of Green's function techniques. (authors)

Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods

Science.gov (United States)

Faraji, Shirin; Matsika, Spiridoula; Krylov, Anna I.

2018-01-01

We report an implementation of non-adiabatic coupling (NAC) forces within the equation-of-motion coupled-cluster with single and double excitations (EOM-CCSD) framework via the summed-state approach. Using illustrative examples, we compare NAC forces computed with EOM-CCSD and multi-reference (MR) wave functions (for selected cases, we also consider configuration interaction singles). In addition to the magnitude of the NAC vectors, we analyze their direction, which is important for the calculations of the rate of non-adiabatic transitions. Our benchmark set comprises three doublet radical-cations (hexatriene, cyclohexadiene, and uracil), neutral uracil, and sodium-doped ammonia clusters. When the characters of the states agree among different methods, we observe good agreement between the respective NAC vectors, both in the Franck-Condon region and away. In the cases of large discrepancies between the methods, the disagreement can be attributed to the difference in the states' character, which, in some cases, is very sensitive to electron correlation, both within single-reference and multi-reference frameworks. The numeric results confirm that the accuracy of NAC vectors depends critically on the quality of the underlying wave functions. Within their domain of applicability, EOM-CC methods provide a viable alternative to MR approaches.

Fokker-Planck modeling of current penetration during electron cyclotron current drive

International Nuclear Information System (INIS)

Merkulov, A.; Westerhof, E.; Schueller, F. C.

2007-01-01

The current penetration during electron cyclotron current drive (ECCD) on the resistive time scale is studied with a Fokker-Planck simulation, which includes a model for the magnetic diffusion that determines the parallel electric field evolution. The existence of the synergy between the inductive electric field and EC driven current complicates the process of the current penetration and invalidates the standard method of calculation in which Ohm's law is simply approximated by j-j cd =σE. Here it is proposed to obtain at every time step a self-consistent approximation to the plasma resistivity from the Fokker-Planck code, which is then used in a concurrent calculation of the magnetic diffusion equation in order to obtain the inductive electric field at the next time step. A series of Fokker-Planck calculations including a self-consistent evolution of the inductive electric field has been performed. Both the ECCD power and the electron density have been varied, thus varying the well known nonlinearity parameter for ECCD P rf [MW/m -3 ]/n e 2 [10 19 m -3 ] [R. W. Harvey et al., Phys. Rev. Lett 62, 426 (1989)]. This parameter turns out also to be a good predictor of the synergetic effects. The results are then compared with the standard method of calculations of the current penetration using a transport code. At low values of the Harvey parameter, the standard method is in quantitative agreement with Fokker-Planck calculations. However, at high values of the Harvey parameter, synergy between ECCD and E parallel is found. In the case of cocurrent drive, this synergy leads to the generation of large amounts of nonthermal electrons and a concomitant increase of the electrical conductivity and current penetration time. In the case of countercurrent drive, the ECCD efficiency is suppressed by the synergy with E parallel while only a small amount of nonthermal electrons is produced

Intelligent Adjustment of Printhead Driving Waveform Parameters for 3D Electronic Printing

Directory of Open Access Journals (Sweden)

Lin Na

2017-01-01

Full Text Available In practical applications of 3D electronic printing, a major challenge is to adjust the printhead for a high print resolution and accuracy. However, an exhausting manual selective process inevitably wastes a lot of time. Therefore, in this paper, we proposed a new intelligent adjustment method, which adopts artificial bee colony algorithm to optimize the printhead driving waveform parameters for getting the desired printhead state. Experimental results show that this method can quickly and accuracy find out the suitable combination of driving waveform parameters to meet the needs of applications.

Optical characterization of the InFocus TVT-6000 liquid crystal television (LCTV) using custom drive electronics

Science.gov (United States)

Duffey, Jason N.; Jones, Brian K.; Loudin, Jeffrey A.; Booth, Joseph J.

1995-03-01

Liquid crystal televisions are popular low-cost spatial light modulators. One LCTV of interest is found in the InFocus TVT-6000 television projector. A wavefront splitting interferometer has been constructed and analyzed for measuring the complex characteristics of these modulators, including phase and amplitude coupling. The results of this evaluation using the TVT-6000 projector drive electronics have been presented in a previous work. This work will present results of the complex characterizations of these modulators using custom drive electronics.

A thermodynamical analysis of rf current drive with fast electrons

Energy Technology Data Exchange (ETDEWEB)

Bizarro, João P. S., E-mail: bizarro@ipfn.tecnico.ulisboa.pt [Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa, 1049-001 Lisboa (Portugal)

2015-08-15

The problem of rf current drive (CD) by pushing fast electrons with high-parallel-phase-velocity waves, such as lower-hybrid (LH) or electron-cyclotron (EC) waves, is revisited using the first and second laws, the former to retrieve the well-known one-dimensional (1D) steady-state CD efficiency, and the latter to calculate a lower bound for the rate of entropy production when approaching steady state. The laws of thermodynamics are written in a form that explicitly takes care of frictional dissipation and are thus applied to a population of fast electrons evolving under the influence of a dc electric field, rf waves, and collisions while in contact with a thermal, Maxwellian reservoir with a well-defined temperature. Besides the laws of macroscopic thermodynamics, there is recourse to basic elements of kinetic theory only, being assumed a residual dc electric field and a strong rf drive, capable of sustaining in the resonant region, where waves interact with electrons, a raised fast-electron tail distribution, which becomes an essentially flat plateau in the case of the 1D theory for LHCD. Within the 1D model, particularly suited for LHCD as it solely retains fast-electron dynamics in velocity space parallel to the ambient magnetic field, an H theorem for rf CD is also derived, which is written in different forms, and additional physics is recovered, such as the synergy between the dc and rf power sources, including the rf-induced hot conductivity, as well as the equation for electron-bulk heating. As much as possible 1D results are extended to 2D, to account for ECCD by also considering fast-electron velocity-space dynamics in the direction perpendicular to the magnetic field, which leads to a detailed discussion on how the definition of an rf-induced conductivity may depend on whether one works at constant rf current or power. Moreover, working out the collisional dissipated power and entropy-production rate written in terms of the fast-electron distribution, it

Propagation and diffusion-limited extinction of nonadiabatic heterogeneous flame in the SHS process

International Nuclear Information System (INIS)

Makino, Atsushi

1994-01-01

Nonadiabatic heterogeneous flame propagation and extinction in self-propagating high-temperature synthesis (SHS) are analyzed based on a premixed mode of propagation for the bulk flame supported by the nonpremixed reaction of dispersed nonmetals in the liquid metal. The formulation allows for volumetric heat loss throughout the bulk flame, finite-rate Arrhenius reaction at the particle surface, and temperature-sensitive Arrhenius mass diffusion in the liquid. Results show that, subsequent to melting of the metal, the flame structure consists of a relatively thin diffusion-consumption/convection zone followed by a relatively thick convection-loss zone, that the flame propagation rate decreases with increasing heat loss, that at a critical heat-loss rate the flame extinguishes as indicated by the characteristic turning-point behavior, that the surface reaction is diffusion limited such that the nonlinear, temperature-sensitive nature of the system is actually a consequence of the Arrhenius mass diffusion, and that extinction is sensitively affected by the mixture ratio, the degree of dilution, the initial temperature of the compact, and the size of the nonmetal particles. An explicit expression is derived for the normalized mass burning rate, which exhibits the characteristic turning point and shows that extinction occurs when this value is reduced to e -1/2 , which is the same as that for the nonadiabatic gaseous premixed flame. It is further shown that the theoretical results agree well with available experimental data, indicating that the present formulation captures the essential features of the nonadiabatic heterogeneous SHS processes and its potential for extension to describe other SHS phenomena

Nonadiabatic Spin Torque Investigated Using Thermally Activated Magnetic Domain Wall Dynamics

DEFF Research Database (Denmark)

Eltschka, M.; Woetzel, Mathias; Rhensius, J.

2010-01-01

of the DW as a quasiparticle in a one-dimensional potential landscape. By injecting small currents, the potential is modified, allowing for the determination of the nonadiabatic spin torque: βt=0.010±0.004 for a transverse DW and βv=0.073±0.026 for a vortex DW. The larger value is attributed to the higher...

Low emittance design of the electron gun and the focusing channel of the Compact Linear Collider drive beam

Directory of Open Access Journals (Sweden)

M. Dayyani Kelisani

2017-04-01

Full Text Available For the Compact Linear Collider project at CERN, the power for the main linacs is extracted from a drive beam generated from a high current electron source. The design of the electron source and its subsequent focusing channel has a great impact on the beam dynamic considerations of the drive beam. We report the design of a thermionic electron source and the subsequent focusing channels with the goal of production of a high quality beam with a very small emittance.

Detection of undistorted continuous wave (CW) electron paramagnetic resonance (EPR) spectra with non-adiabatic rapid sweep (NARS) of the magnetic field

Science.gov (United States)

Kittell, Aaron W.; Camenisch, Theodore G.; Ratke, Joseph J.; Sidabras, Jason W.; Hyde, James S.

2011-01-01

A continuous wave (CW) electron paramagnetic resonance (EPR) spectrum is typically displayed as the first harmonic response to the application of 100 kHz magnetic field modulation, which is used to enhance sensitivity by reducing the level of 1/f noise. However, magnetic field modulation of any amplitude causes spectral broadening and sacrifices EPR spectral intensity by at least a factor of two. In the work presented here, a CW rapid-scan spectroscopic technique that avoids these compromises and also provides a means of avoiding 1/f noise is developed. This technique, termed non-adiabatic rapid sweep (NARS) EPR, consists of repetitively sweeping the polarizing magnetic field in a linear manner over a spectral fragment with a small coil at a repetition rate that is sufficiently high that receiver noise, microwave phase noise, and environmental microphonics, each of which has 1/f characteristics, are overcome. Nevertheless, the rate of sweep is sufficiently slow that adiabatic responses are avoided and the spin system is always close to thermal equilibrium. The repetitively acquired spectra from the spectral fragment are averaged. Under these conditions, undistorted pure absorption spectra are obtained without broadening or loss of signal intensity. A digital filter such as a moving average is applied to remove high frequency noise, which is approximately equivalent in bandwidth to use of an integrating time constant in conventional field modulation with lock-in detection. Nitroxide spectra at L- and X-band are presented. PMID:21741868

Nonadiabatic quantum Vlasov equation for Schwinger pair production

International Nuclear Information System (INIS)

Kim, Sang Pyo; Schubert, Christian

2011-01-01

Using Lewis-Riesenfeld theory, we derive an exact nonadiabatic master equation describing the time evolution of the QED Schwinger pair-production rate for a general time-varying electric field. This equation can be written equivalently as a first-order matrix equation, as a Vlasov-type integral equation, or as a third-order differential equation. In the last version it relates to the Korteweg-de Vries equation, which allows us to construct an exact solution using the well-known one-soliton solution to that equation. The case of timelike delta function pulse fields is also briefly considered.

Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy

Science.gov (United States)

Boguslavskiy, Andrey E.; Schalk, Oliver; Gador, Niklas; Glover, William J.; Mori, Toshifumi; Schultz, Thomas; Schuurman, Michael S.; Martínez, Todd J.; Stolow, Albert

2018-04-01

The ultrafast excited state dynamics of the smallest polyene, trans-1,3-butadiene, were studied by femtosecond time-resolved photoelectron-photoion coincidence (TRPEPICO) spectroscopy. The evolution of the excited state wavepacket, created by pumping the bright 1Bu (ππ*) electronic state at its origin of 216 nm, is projected via one- and two-photon ionization at 267 nm onto several ionization continua. The results are interpreted in terms of Koopmans' correlations and Franck-Condon factors for the excited and cationic states involved. The known predissociative character of the cation excited states is utilized to assign photoelectron bands to specific continua using TRPEPICO spectroscopy. This permits us to report the direct observation of the famously elusive S1(21Ag) dark electronic state during the internal conversion of trans 1,3-butadiene. Our phenomenological analysis permits the spectroscopic determination of several important time constants. We report the overall decay lifetimes of the 11Bu and 21Ag states and observe the re-appearance of the hot ground state molecule. We argue that the apparent dephasing time of the S2(11Bu) state, which leads to the extreme breadth of the absorption spectrum, is principally due to large amplitude torsional motion on the 1Bu surface in conjunction with strong non-adiabatic couplings via conical intersections, whereupon nuclear wavepacket revivals to the initial Franck-Condon region become effectively impossible. In Paper II [W. J. Glover et al., J. Chem. Phys. 148, 164303 (2018)], ab initio multiple spawning is used for on-the-fly computations of the excited state non-adiabatic wavepacket dynamics and their associated TRPEPICO observables, allowing for direct comparisons of experiment with theory.

Nonadiabaticity and single-electron transport driven by surface acoustic waves

DEFF Research Database (Denmark)

Flensberg, Karsten; Niu, Q.; Pustilnik, M.

1999-01-01

Single-electron transport driven by surface acoustic waves (SAW) through a narrow constriction, formed in a two-dimensional electron gas, is studied theoretically. Due to long-range Coulomb interaction, the tunneling coupling between the electron gas and the moving minimum of the SAW...

Temperature dependence of the electronic structure of semiconductors and insulators

Energy Technology Data Exchange (ETDEWEB)

Poncé, S., E-mail: samuel.pon@gmail.com; Gillet, Y.; Laflamme Janssen, J.; Gonze, X. [European Theoretical Spectroscopy Facility and Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des étoiles 8, bte L07.03.01, B-1348 Louvain-la-neuve (Belgium); Marini, A. [Consiglio Nazionale delle Ricerche (CNR), Via Salaria Km 29.3, CP 10, 00016 Monterotondo Stazione (Italy); Verstraete, M. [European Theoretical Spectroscopy Facility and Physique des matériaux et nanostructures, Université de Liège, Allée du 6 Août 17, B-4000 Liège (Belgium)

2015-09-14

The renormalization of electronic eigenenergies due to electron-phonon coupling (temperature dependence and zero-point motion effect) is sizable in many materials with light atoms. This effect, often neglected in ab initio calculations, can be computed using the perturbation-based Allen-Heine-Cardona theory in the adiabatic or non-adiabatic harmonic approximation. After a short description of the recent progresses in this field and a brief overview of the theory, we focus on the issue of phonon wavevector sampling convergence, until now poorly understood. Indeed, the renormalization is obtained numerically through a slowly converging q-point integration. For non-zero Born effective charges, we show that a divergence appears in the electron-phonon matrix elements at q → Γ, leading to a divergence of the adiabatic renormalization at band extrema. This problem is exacerbated by the slow convergence of Born effective charges with electronic wavevector sampling, which leaves residual Born effective charges in ab initio calculations on materials that are physically devoid of such charges. Here, we propose a solution that improves this convergence. However, for materials where Born effective charges are physically non-zero, the divergence of the renormalization indicates a breakdown of the adiabatic harmonic approximation, which we assess here by switching to the non-adiabatic harmonic approximation. Also, we study the convergence behavior of the renormalization and develop reliable extrapolation schemes to obtain the converged results. Finally, the adiabatic and non-adiabatic theories, with corrections for the slow Born effective charge convergence problem (and the associated divergence) are applied to the study of five semiconductors and insulators: α-AlN, β-AlN, BN, diamond, and silicon. For these five materials, we present the zero-point renormalization, temperature dependence, phonon-induced lifetime broadening, and the renormalized electronic band structure.

Manufacturing: SiC Power Electronics for Variable Frequency Motor Drives

Energy Technology Data Exchange (ETDEWEB)

Horowitz, Kelsey A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Bench Reese, Samantha R [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Remo, Timothy W [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

2017-08-15

This brochure, published as an annual research highlight of the Clean Energy Manufacturing Analysis Center (CEMAC), summarizes CEMAC analysis of silicon carbide (SiC) power electronics for variable frequency motor drives. The key finding presented is that variations in manufacturing expertise, yields, and access to existing facilities impact regional costs and manufacturing location decisions for SiC ingots, wafers, chips, and power modules more than do core country-specific factors such as labor and electricity costs.

Requirements for alignment of electron cyclotron current drive for neoclassical tearing mode stabilization in ITER

International Nuclear Information System (INIS)

La Haye, R.J.; Ferron, J.R.; Humphreys, D.A.; Luce, T.C.; Petty, C.C.; Prater, R.; Strait, E.J.; Welander, A.S.

2008-01-01

ITER will rely on electron cyclotron stabilization of neoclassical tearing mode islands. The large size and low torque applied in ITER imply slow plasma rotation and susceptibility to island locking by the resistive wall; locking is likely to lead to a loss of the high confinement H-mode, a beta collapse and possibly disruption. 'Front' steering of the launcher, with narrower electron cyclotron current drive (ECCD), has resolved the issue in 'remote' steering of the driven current being too broad and relatively ineffective. However, narrower current drive places demands on alignment of the current drive on the rational surface that is being stabilized. DIII-D alignment techniques with and without (preemptive) an island are reviewed. The results are used to check models for the effect of misalignment and are then applied to ITER. Criteria for accuracy of alignment as a function of injected power and for the necessary time response of the controller are presented

Turbulent current drive mechanisms

Science.gov (United States)

McDevitt, Christopher J.; Tang, Xian-Zhu; Guo, Zehua

2017-08-01

Mechanisms through which plasma microturbulence can drive a mean electron plasma current are derived. The efficiency through which these turbulent contributions can drive deviations from neoclassical predictions of the electron current profile is computed by employing a linearized Coulomb collision operator. It is found that a non-diffusive contribution to the electron momentum flux as well as an anomalous electron-ion momentum exchange term provide the most efficient means through which turbulence can modify the mean electron current for the cases considered. Such turbulent contributions appear as an effective EMF within Ohm's law and hence provide an ideal means for driving deviations from neoclassical predictions.

Application of Electron Bernstein Wave heating and current drive to high beta plasmas

International Nuclear Information System (INIS)

Efthimion, P.C.

2002-01-01

Electron Bernstein Waves (EBW) can potentially heat and drive current in high-beta plasmas. Electromagnetic waves can convert to EBW via two paths. O-mode heating, demonstrated on W-7AS, requires waves be launched within a narrow k-parallel range. Alternately, in high-beta plasmas, the X-mode cutoff and EBW conversion layers are millimeters apart, so the fast X-mode can tunnel to the EBW branch. We are studying the conversion of EBW to the X-mode by measuring the radiation temperature of the cyclotron emission and comparing it to the electron temperature. In addition, mode conversion has been studied with an approximate kinetic full-wave code. We have enhanced EBW mode conversion to ∼ 100% by encircling the antenna with a limiter that shortens the density scale length at the conversion layer in the scrape off of the CDX-U spherical torus (ST) plasma. Consequently, a limiter in front of a launch antenna achieves efficient X-mode coupling to EBW. Ray tracing and Fokker-Planck codes have been used to develop current drive scenarios in NSTX high-beta (∼ 40%) ST plasmas and a relativistic code will examine the potential synergy of EBW current drive with the bootstrap current. (author)

Calculation of decay widths of pp{mu}{sub {nu}}{sub ,J}{sup *} ion in non-adiabatic approach

Energy Technology Data Exchange (ETDEWEB)

Gheisari, R. [Persian Gulf Univ., Physics Dept., Bushehr (Iran, Islamic Republic of)

2009-06-15

We calculate decay widths of the metastable pp{mu}{sub {nu}}{sub ,J}{sup *} molecular ion in non-adiabatic approach. The muonic molecular ion can be formed in collision of the excited p{mu}(2s) atoms with H{sub 2}. Then, the decay of the pp{mu}{sub {nu}}{sub ,J}{sup *} system opens a path for the muon from p{mu}(2s) to p{mu}(1s). We employ trial wave function which includes non-adiabatic terms to calculate some radiationless decay widths. The present results of the widths do not agree well with those given in our previous work, however they are more close to recent data of other researchers. (author)

Experimental demonstration of synergy between electron cyclotron and lower hybrid current drive on Tore Supra

International Nuclear Information System (INIS)

Artaud, J.F.; Giruzzi, G.; Dumont, R.J.; Imbeaux, F.; Bibet, P.; Bouquey, F.; Clary, J.; Ekedahl, A.; Hoang, G.T.; Lennholm, M.; Magne, R.; Segui, J.L.

2004-01-01

Non-inductive current drive (CD) has two main applications in tokamaks: sustainment of a substantial fraction of the toroidal plasma current necessary for the plasma confinement and control of the plasma stability and transport properties by appropriate shaping of the current density profile. For the first kind of applications, lower hybrid (LH) waves are known to provide the highest efficiency (defined as the ratio of the driven current to the injected wave power), although with limited control capability. Conversely, electron cyclotron (EC) waves drive highly localized currents, and are therefore particularly suited for control purposes, but their CD efficiency is much lower than that of LH waves (typically, an order of magnitude in present day experiments). Various calculations have demonstrated an interesting property: the current driven by the simultaneous use of the two waves, I(LH+EC), can be significantly larger than the sum I(LH)+I(EC) of the currents separately driven by the two waves in the same plasma conditions. This property, called synergy effect. The peculiar experimental conditions attainable on the Tore Supra tokamak have allowed the first experimental demonstration of the synergy between EC and LH current drive. The significant improvement of the electron cyclotron current drive (ECCD) efficiency in the presence of low hybrid current drive (LHCD), predicted by kinetic theory and confirmed by stationary experiments on Tore Supra, opens up the possibility of using ECCD as an efficient current profile control tool in LHCD plasmas

Nonadiabatic effects in the Quantum Hall regime

International Nuclear Information System (INIS)

Page, D.A.; Brown, E.

1993-01-01

The authors consider the effect of a finite electric field on the states of a Bloch electron in two dimensions, with a uniform magnetic field present. They make use of the concept of electric time translation symmetry and treat the electric and magnetic fields symmetrically in a time dependent formalism. In addition to a wave vector k, the states are characterized by a frequency specifying the behavior under electric time translations. An effective Hamiltonian is employed to obtain the splitting of an isolated Bloch band into open-quotes frequencyclose quotes subbands. The time-averaged velocity and energy of the states are expressed in terms of the frequency dispersion. The relationship to the Stark ladder eigenstates in a scalar potential representation of the electric field is examined. This is seen to justify the use of the averaged energy in determining occupation of the states. In the weak electric field (adiabatic) limit, an expression is recovered for the quantized Hall conductivity of a magnetic subband as a topological invariant. A numerical procedure is outlined and results obtained over a range of electric field strengths. A transition between strong and weak field regimes is seen, with level repulsions between the frequencies playing an important role. The numerical results show how the magnetic subband structure and quantized Hall conductivity emerge as the electric field becomes weaker. In this regime, the behavior can be understood by comparison to the predictions of the adiabatic approximation. The latter predicts crossings in the frequencies at certain locations in wave vector space. Nonadiabatic effects are seen to produce gaps in the frequency spectrum at these locations. 35 refs., 14 figs

Broken space-time symmetries and mechanisms of rectification of ac fields by nonlinear (non)adiabatic response

DEFF Research Database (Denmark)

Denisov, S.; Flach, S.; Ovchinnikov, A. A.

2002-01-01

We consider low-dimensional dynamical systems exposed to a heat bath and to additional ac fields. The presence of these ac fields may lead to a breaking of certain spatial or temporal symmetries, which in turn cause nonzero averages of relevant observables. Nonlinear (non)adiabatic response is em...... is employed to explain the effect. We consider a case of a particle in a periodic potential as an example and discuss the relevant symmetry breakings and the mechanisms of rectification of the current in such a system.......We consider low-dimensional dynamical systems exposed to a heat bath and to additional ac fields. The presence of these ac fields may lead to a breaking of certain spatial or temporal symmetries, which in turn cause nonzero averages of relevant observables. Nonlinear (non)adiabatic response...

Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces

DEFF Research Database (Denmark)

Hall, B.; Deumens, E.; Ohrn, Y.

2014-01-01

A perennial problem in quantum scattering calculations is accurate theoretical treatment of low energy collisions. We propose a method of extracting a folded, nonadiabatic, effective potential energy surface from electron nuclear dynamics (END) trajectories; we then perform nuclear wave packet...

A fuzzy logic sliding mode controlled electronic differential for a direct wheel drive EV

Science.gov (United States)

Ozkop, Emre; Altas, Ismail H.; Okumus, H. Ibrahim; Sharaf, Adel M.

2015-11-01

In this study, a direct wheel drive electric vehicle based on an electronic differential system with a fuzzy logic sliding mode controller (FLSMC) is studied. The conventional sliding surface is modified using a fuzzy rule base to obtain fuzzy dynamic sliding surfaces by changing its slopes using the global error and its derivative in a fuzzy logic inference system. The controller is compared with proportional-integral-derivative (PID) and sliding mode controllers (SMCs), which are usually preferred to be used in industry. The proposed controller provides robustness and flexibility to direct wheel drive electric vehicles. The fuzzy logic sliding mode controller, electronic differential system and the overall electrical vehicle mechanism are modelled and digitally simulated by using the Matlab software. Simulation results show that the system with FLSMC has better efficiency and performance compared to those of PID and SMCs.

Levitation of Bose-Einstein condensates induced by macroscopic non-adiabatic quantum tunneling

OpenAIRE

Nakamura, Katsuhiro; Kohi, Akihisa; Yamasaki, Hisatsugu; Perez-Garcia, Victor M.

2006-01-01

We study the dynamics of two-component Bose-Einstein condensates trapped in different vertical positions in the presence of an oscillating magnetic field. It is shown here how tuning appropriately the oscillation frequency of the magnetic field leads to the levitation of the system against gravity. This phenomenon is a manifestation of a macroscopic non-adiabatic tunneling in a system with internal degrees of freedom.

Ab initio multiple spawning dynamics study of dimethylnitramine and dimethylnitramine-Fe complex to model their ultrafast nonadiabatic chemistry.

Science.gov (United States)

Bera, Anupam; Ghosh, Jayanta; Bhattacharya, Atanu

2017-07-28

Conical intersections are now firmly established to be the key features in the excited electronic state processes of polyatomic energetic molecules. In the present work, we have explored conical intersection-mediated nonadiabatic chemical dynamics of a simple analogue nitramine molecule, dimethylnitramine (DMNA, containing one N-NO 2 energetic group), and its complex with an iron atom (DMNA-Fe). For this task, we have used the ab initio multiple spawning (AIMS) dynamics simulation at the state averaged-complete active space self-consistent field(8,5)/6-31G(d) level of theory. We have found that DMNA relaxes back to the ground (S 0 ) state following electronic excitation to the S 1 excited state [which is an (n,π*) excited state] with a time constant of approximately 40 fs. This AIMS result is in very good agreement with the previous surface hopping-result and femtosecond laser spectroscopy result. DMNA does not dissociate during this fast internal conversion from the S 1 to the S 0 state. DMNA-Fe also undergoes extremely fast relaxation from the upper S 1 state to the S 0 state; however, this relaxation pathway is dissociative in nature. DMNA-Fe undergoes initial Fe-O, N-O, and N-N bond dissociations during relaxation from the upper S 1 state to the ground S 0 state through the respective conical intersection. The AIMS simulation reveals the branching ratio of these three channels as N-N:Fe-O:N-O = 6:3:1 (based on 100 independent simulations). Furthermore, the AIMS simulation reveals that the Fe-O bond dissociation channel exhibits the fastest (time constant 24 fs) relaxation, while the N-N bond dissociation pathway features the slowest (time constant 128 fs) relaxation. An intermediate time constant (30 fs) is found for the N-O bond dissociation channel. This is the first nonadiabatic chemical dynamics study of metal-contained energetic molecules through conical intersections.

Ab initio multiple spawning dynamics study of dimethylnitramine and dimethylnitramine-Fe complex to model their ultrafast nonadiabatic chemistry

Science.gov (United States)

Bera, Anupam; Ghosh, Jayanta; Bhattacharya, Atanu

2017-07-01

Conical intersections are now firmly established to be the key features in the excited electronic state processes of polyatomic energetic molecules. In the present work, we have explored conical intersection-mediated nonadiabatic chemical dynamics of a simple analogue nitramine molecule, dimethylnitramine (DMNA, containing one N-NO2 energetic group), and its complex with an iron atom (DMNA-Fe). For this task, we have used the ab initio multiple spawning (AIMS) dynamics simulation at the state averaged-complete active space self-consistent field(8,5)/6-31G(d) level of theory. We have found that DMNA relaxes back to the ground (S0) state following electronic excitation to the S1 excited state [which is an (n,π*) excited state] with a time constant of approximately 40 fs. This AIMS result is in very good agreement with the previous surface hopping-result and femtosecond laser spectroscopy result. DMNA does not dissociate during this fast internal conversion from the S1 to the S0 state. DMNA-Fe also undergoes extremely fast relaxation from the upper S1 state to the S0 state; however, this relaxation pathway is dissociative in nature. DMNA-Fe undergoes initial Fe-O, N-O, and N-N bond dissociations during relaxation from the upper S1 state to the ground S0 state through the respective conical intersection. The AIMS simulation reveals the branching ratio of these three channels as N-N:Fe-O:N-O = 6:3:1 (based on 100 independent simulations). Furthermore, the AIMS simulation reveals that the Fe-O bond dissociation channel exhibits the fastest (time constant 24 fs) relaxation, while the N-N bond dissociation pathway features the slowest (time constant 128 fs) relaxation. An intermediate time constant (30 fs) is found for the N-O bond dissociation channel. This is the first nonadiabatic chemical dynamics study of metal-contained energetic molecules through conical intersections.

Wind generator with electronic variable-speed drives

Energy Technology Data Exchange (ETDEWEB)

David, A.; Buchheit, N.; Jakobsen, H.

1996-12-31

Variable speed drives have been inserted between the network and the generator on certain recent wind power facilities. They have the following advantages: the drive allows the wind generator to operate at low speed with a significant reduction in acoustic noise, an important point if the facilities are sited near populated areas; the drive optimizes energy transfer, providing a gain of 4 to 10 %; the drive can possibly replace certain mechanical parts (the starting system and it in some cases, the reduction gear); the drive not only provides better transient management in relation to the network for less mechanical stress on the wind generator, it is also able to control reactive power. One commercial drive design sold by several manufacturers has already been installed on several wind generators with outputs of between 150 and 600 kw. In addition, such a solution is extremely well suited to mixed renewable energy systems. This design uses two inverse rectifier type converters and can therefore exchange energy in both directions. The equivalent drive with a single IGBT converter on the motor side and a diode converter on the network side is the solution most widely adopted throughout industry (with more than 50, 000 units installed in France per year). It still remains to be seen whether such a solution could be profitable in wind generator application (since the cost of the drive is quite high). This technical analysis is more destined for the converter-machine assembly specialists and is presented in this document, paying particular attention as it does to the modelling of the `wind energy - generator - drive - network` assembly, the associated drive command and control strategies and the simulations obtained during various transients. A 7.5 kW test bed has been installed in the Laboratoire d`Electronique de Puissance de Clamart, enabling tests to be carried out which emulate the operation of a wind generator.

Dynamics of coupled electron-nuclei-systems in laser fields; Dynamik gekoppelter Elektronen-Kern-Systeme in Laserfeldern

Energy Technology Data Exchange (ETDEWEB)

Falge, Mirjam

2012-07-01

This work aimed at the theoretical analysis of high harmonic generation in molecules and the influence of coupled electron and nuclear dynamics on ultra-short pulse ionization processes. In the first part of this thesis, the isotope effect and influence of vibrational excitation on high harmonic generation were investigated for the isotope pairs H{sub 2}O/D{sub 2}O and H{sub 2}/D{sub 2}. It was shown that on the one hand high harmonic intensities strongly depend on the vibrational quantum number of the initial state of the water molecule and on the other hand the spectra of H{sub 2}O and D{sub 2}O exhibit a clear isotope effect for certain vibrationally excited states. Also it was shown that high harmonics of vibrationally excited states show an even more pronounced isotope effect than the ground state. The second and third part of this work treats the influence of coupled electron and nuclear dynamics on photoelectron spectra. In order to facilitate a numerically exact description of this dynamics, a simple one-dimensional model system (Shin-Metiu model) was used. It consists of only a single electronic and nuclear degree-of-freedom and allows for a switching between adiabatic and strongly non-adiabatic dynamics by its parameterization. This model served for the analysis of the dynamics of three different cases ranging from weak over intermediate to strong electron-nuclear coupling. To investigate the influence of non-adiabatic effects on photoelectron spectra, time-resolved photoelectron spectra were calculated applying two methods: a numerically exact treatment and an adiabatic approach neglecting the electron-nuclear coupling. Subsequently, the dependence of the efficiency of a non-adiabatic transition on the nuclear mass was analysed. To this end, the population dynamics and photoelectron spectra were calculated numerically exactly for a strong electron and nuclear coupling. Thereafter the asymmetry in forward and backward direction of time

Noninductive current drive in tokamaks

International Nuclear Information System (INIS)

Uckan, N.A.

1985-01-01

Various current drive mechanisms may be grouped into four classes: (1) injection of energetic particle beams; (2) launching of rf waves; (3) hybrid schemes, which are combinations of various rf schemes (rf plus beams, rf and/or beam plus ohmic heating, etc.); and (4) other schemes, some of which are specific to reactor plasma conditions requiring the presence of alpha particle or intense synchrotron radiation. Particle injection schemes include current drive by neutral beams and relativistic electron beams. The rf schemes include current drive by the lower hybrid (LH) waves, the electron waves, the waves in the ion cyclotron range of frequencies, etc. Only a few of these approaches, however, have been tested experimentally, with the broadest data base available for LH waves. Included in this report are (1) efficiency criteria for current drive, (2) current drive by neutral beam injection, (3) LH current drive, (4) electron cyclotron current drive, (5) current drive by ion cyclotron waves - minority species heating, and (6) current drive by other schemes (such as hybrids and low frequency waves)

Bosch automotive electrics and automotive electronics systems and components, networking and hybrid drive

CERN Document Server

2014-01-01

The significance of electrical and electronic systems has increased considerably in the last few years and this trend is set to continue. The characteristics feature of innovative systems is the fact that they can work together in a network. This requires powerful bus systems that the electronic control units can use to exchange information. Networking and the various bus systems used in motor vehicles are the prominent new topic in the 5th edition of the "Automotive Electric, Automotive Electronics" technical manual. The existing chapters have also been updated, so that this new edition brings the reader up to date on the subjects of electrical and electronic systems in the motor vehicle. Content Electrical and electronical systems – Basic principles of networking - Examples of networked vehicles – Bus systems – Architecture of electronic systems – Mechatronics – Elektronics – Electronic control Units – Software – Sensors – Actuators – Hybrid drives – Vehicle electrical system – Start...

Relaxation mechanism of the hydrated electron.

Science.gov (United States)

Elkins, Madeline H; Williams, Holly L; Shreve, Alexander T; Neumark, Daniel M

2013-12-20

The relaxation dynamics of the photoexcited hydrated electron have been subject to conflicting interpretations. Here, we report time-resolved photoelectron spectra of hydrated electrons in a liquid microjet with the aim of clarifying ambiguities from previous experiments. A sequence of three ultrashort laser pulses (~100 femtosecond duration) successively created hydrated electrons by charge-transfer-to-solvent excitation of dissolved anions, electronically excited these electrons via the s→p transition, and then ejected them into vacuum. Two distinct transient signals were observed. One was assigned to the initially excited p-state with a lifetime of ~75 femtoseconds, and the other, with a lifetime of ~400 femtoseconds, was attributed to s-state electrons just after internal conversion in a nonequilibrated solvent environment. These assignments support the nonadiabatic relaxation model.

Real-time control of electronic motion: Application to NaI

DEFF Research Database (Denmark)

Grønager, Michael; Henriksen, Niels Engholm

1998-01-01

+ + I- depends on the electron distribution (i.e., where the electron "sits") prior to the time where the bond is broken by a subpicosecond half-cycle unipolar electromagnetic pulse. Thus we control, in real time, which nucleus one of the valence electrons will follow after the bond is broken. (C) 1998......We study theoretically the electronic and nuclear dynamics in NaI. After a femtosecond pulse has prepared a wave packet in the first excited state, we consider the adiabatic and the nonadiabatic electronic dynamics and demonstrate explicitly that a nonstationary electron is created in Na...

Recent results on electron cyclotron current drive and MHD activity in RTP

NARCIS (Netherlands)

Donne, A.J.H.; Schuller, F.C.; Oomens, A.A.M.; de Baar, M.R.; Barth, C.J.; Beurskens, M.N.A.; Box, F.M.A.; van Gelder, J.F.M.; Grobben, B.J.J.; Groot, de B.; Herranz, J.M.; Hogeweij, G.M.D.; Hokin, S.A.; Howard, J.; Hugenholtz, C.A.J.; Karelse, F.A.; de Kloe, J.; Kruijt, O.G.; Kuyvenhoven, S.; Lok, J.; Cardozo, N.J.L.; van der Meiden, H.J.; Meijer, F.G.; Montvai, A.; Oyevaar, T.; Pijper, F.J.; Polman, R.W.; Rommers, J.H.; Salzedas, F.; Schokker, B.C.; Smeets, P.H.M.; Tanzi, C.P.; Tito, C.J.; Verhaag, G.C.H.M.; Westerhof, E.

1997-01-01

The RTP tokamak (R = 0.72 m, a = 0.164 m, B-phi < 2 5.T, I-p = < 150 kA) is equipped with three gyrotrons (2 x 60 GHz, 180 kW, 100 ms each; 1 x 110 GHz, 500 kW, 200 ms) for electron cyclotron heating (ECH) and current drive (ECCD). The power from one of the 60 GHz gyrotrons is launched via an

Origins and Scaling of Hot-Electron Preheat in Ignition-Scale Direct-Drive Inertial Confinement Fusion Experiments

Science.gov (United States)

Rosenberg, M. J.; Solodov, A. A.; Myatt, J. F.; Seka, W.; Michel, P.; Hohenberger, M.; Short, R. W.; Epstein, R.; Regan, S. P.; Campbell, E. M.; Chapman, T.; Goyon, C.; Ralph, J. E.; Barrios, M. A.; Moody, J. D.; Bates, J. W.

2018-01-01

Planar laser-plasma interaction (LPI) experiments at the National Ignition Facility (NIF) have allowed access for the first time to regimes of electron density scale length (˜500 to 700 μ m ), electron temperature (˜3 to 5 keV), and laser intensity (6 to 16 ×1014 W /cm2 ) that are relevant to direct-drive inertial confinement fusion ignition. Unlike in shorter-scale-length plasmas on OMEGA, scattered-light data on the NIF show that the near-quarter-critical LPI physics is dominated by stimulated Raman scattering (SRS) rather than by two-plasmon decay (TPD). This difference in regime is explained based on absolute SRS and TPD threshold considerations. SRS sidescatter tangential to density contours and other SRS mechanisms are observed. The fraction of laser energy converted to hot electrons is ˜0.7 % to 2.9%, consistent with observed levels of SRS. The intensity threshold for hot-electron production is assessed, and the use of a Si ablator slightly increases this threshold from ˜4×10 14 to ˜6 ×1014 W /cm2 . These results have significant implications for mitigation of LPI hot-electron preheat in direct-drive ignition designs.

Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system.

Science.gov (United States)

Falge, Mirjam; Fröbel, Friedrich Georg; Engel, Volker; Gräfe, Stefanie

2017-08-02

If the adiabatic approximation is valid, electrons smoothly adapt to molecular geometry changes. In contrast, as a characteristic of diabatic dynamics, the electron density does not follow the nuclear motion. Recently, we have shown that the asymmetry in time-resolved photoelectron spectra serves as a tool to distinguish between these dynamics [Falge et al., J. Phys. Chem. Lett., 2012, 3, 2617]. Here, we investigate the influence of an additional, moderately intense infrared (IR) laser field, as often applied in attosecond time-resolved experiments, on such asymmetries. This is done using a simple model for coupled electronic-nuclear motion. We calculate time-resolved photoelectron spectra and their asymmetries and demonstrate that the spectra directly map the bound electron-nuclear dynamics. From the asymmetries, we can trace the IR field-induced population transfer and both the field-driven and intrinsic (non-)adiabatic dynamics. This holds true when considering superposition states accompanied by electronic coherences. The latter are observable in the asymmetries for sufficiently short XUV pulses to coherently probe the coupled states. It is thus documented that the asymmetry is a measure for phases in bound electron wave packets and non-adiabatic dynamics.

A survey of electron Bernstein wave heating and current drive potential for spherical tokamaks

Czech Academy of Sciences Publication Activity Database

Urban, Jakub; Decker, J.; Peysson, Y.; Preinhaelter, Josef; Shevchenko, V.; Taylor, G.; Vahala, L.; Vahala, G.

2011-01-01

Roč. 51, č. 8 (2011), 083050-083050 ISSN 0029-5515 R&D Projects: GA ČR GA202/08/0419; GA MŠk 7G10072 Institutional research plan: CEZ:AV0Z20430508 Keywords : spherical tokamak * electron Bernstein wave (EBW) * heating * current drive * electron cyclotron wave Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 4.090, year: 2011 http://iopscience.iop.org/0029-5515/51/8/083050/pdf/0029-5515_51_8_083050.pdf

Non-adiabatic study of the Kepler subgiant KIC 6442183

Directory of Open Access Journals (Sweden)

Grosjean M.

2015-01-01

Full Text Available Thanks to the precision of Kepler observations, [3] were able to measure the linewidth and amplitude of individual modes (including mixed modes in several subgiant power spectra. We perform a forward modelling of a Kepler subgiant based on surface properties and observed frequencies. Non-adiabatic computations including a time- dependent treatment of convection give the lifetimes of radial and non-radial modes. Next, combining the lifetimes and inertias with a stochastic excitation model gives the amplitudes of the modes. We can now directly compare theoretical and observed linewidths and amplitudes of mixed-modes to obtain new constraints on our theoretical models.

Active vs. spectator modes in nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 22A(3s) Rydberg state

Science.gov (United States)

Xie, Changjian; Guo, Hua

2018-01-01

The choice of the active degrees of freedom (DOFs) is a pivotal issue in a reduced-dimensional model of quantum dynamics when a full-dimensional one is not feasible. Here, several five-dimensional (5D) models are used to investigate the nonadiabatic photodissociation dynamics of the hydroxymethyl (CH2OH) radical, which possesses nine internal DOFs, in its lowest absorption band. A normal-mode based scheme is used to identify the active and spectator modes, and its predictions are confirmed by 5D quantum dynamical calculations. Our results underscore the important role of the CO stretching mode in the photodissociation dynamics of CH2OH, originating from the photo-induced promotion of an electron from the half-occupied π*CO antibonding orbital to a carbon Rydberg orbital.

Intense relativistic electron beam injector system for tokamak current drive

International Nuclear Information System (INIS)

Bailey, V.L.; Creedon, J.M.; Ecker, B.M.; Helava, H.I.

1983-01-01

We report experimental and theoretical studies of an intense relativistic electron beam (REB) injection system designed for tokamak current drive experiments. The injection system uses a standard high-voltage pulsed REB generator and a magnetically insulated transmission line (MITL) to drive an REB-accelerating diode in plasma. A series of preliminary experiments has been carried out to test the system by injecting REBs into a test chamber with preformed plasma and applied magnetic field. REBs were accelerated from two types of diodes: a conventional vacuum diode with foil anode, and a plasma diode, i.e., an REB cathode immersed in the plasma. REB current was in the range of 50 to 100 kA and REB particle energy ranged from 0.1 to 1.0 MeV. MITL power density exceeded 10 GW/cm 2 . Performance of the injection system and REB transport properties is documented for plasma densities from 5 x 10 12 to 2 x 10 14 cm -3 . Injection system data are compared with numerical calculations of the performance of the coupled system consisting of the generator, MITL, and diode

Electron and ion heat transport with lower hybrid current drive and neutral beam injection heating in ASDEX

International Nuclear Information System (INIS)

Soeldner, F.X.; Pereverzev, G.V.; Bartiromo, R.; Fahrbach, H.U.; Leuterer, F.; Murmann, H.D.; Staebler, A.; Steuer, K.H.

1993-01-01

Transport code calculations were made for experiments with the combined operation of lower hybrid current drive and heating and of neutral beam injection heating on ASDEX. Peaking or flattening of the electron temperature profile are mainly explained by modifications of the MHD induced electron heat transport. They originate from current profile changes due to lower hybrid and neutral beam current drive and to contributions from the bootstrap current. Ion heat transport cannot be described by one single model for all heating scenarios. The ion heat conductivity is reduced during lower hybrid heated phases with respect to Ohmic and neutral beam heating. (author). 13 refs, 5 figs

Origins and Scaling of Hot-Electron Preheat in Ignition-Scale Direct-Drive Inertial Confinement Fusion Experiments.

Science.gov (United States)

Rosenberg, M J; Solodov, A A; Myatt, J F; Seka, W; Michel, P; Hohenberger, M; Short, R W; Epstein, R; Regan, S P; Campbell, E M; Chapman, T; Goyon, C; Ralph, J E; Barrios, M A; Moody, J D; Bates, J W

2018-02-02

Planar laser-plasma interaction (LPI) experiments at the National Ignition Facility (NIF) have allowed access for the first time to regimes of electron density scale length (∼500 to 700  μm), electron temperature (∼3 to 5 keV), and laser intensity (6 to 16×10^{14}  W/cm^{2}) that are relevant to direct-drive inertial confinement fusion ignition. Unlike in shorter-scale-length plasmas on OMEGA, scattered-light data on the NIF show that the near-quarter-critical LPI physics is dominated by stimulated Raman scattering (SRS) rather than by two-plasmon decay (TPD). This difference in regime is explained based on absolute SRS and TPD threshold considerations. SRS sidescatter tangential to density contours and other SRS mechanisms are observed. The fraction of laser energy converted to hot electrons is ∼0.7% to 2.9%, consistent with observed levels of SRS. The intensity threshold for hot-electron production is assessed, and the use of a Si ablator slightly increases this threshold from ∼4×10^{14} to ∼6×10^{14}  W/cm^{2}. These results have significant implications for mitigation of LPI hot-electron preheat in direct-drive ignition designs.

Safety implications of electronic driving support systems : an orientation.

OpenAIRE

Gundy, C.M. Steyvers, F.J.J.M. & Kaptein, N.A.

1995-01-01

This report focuses on traffic safety aspects of driving support systems. The report consists of two parts. First of all, the report discusses a number of topics, relevant for the implementation and evaluation of driving support systems. These topics include: (1) safety research into driving support systems: (2) the importance of research into driver models and the driving task; (3) horizontal integration of driving support systems; (4) vertical integration of driving support systems; (5) tas...

Inside launch electron cyclotron heating and current drive on DITE

International Nuclear Information System (INIS)

Ashraf, M.; Deliyanakis, N.

1989-01-01

Electron cyclotron resonance heating at 60 GHz has been carried out on DITE (R = 1.2 m, a = 0.24 m) to investigate heating and current drive using the extraordinary mode launched with finite k parallel from the high field side. The first clear evidence of Doppler shifted resonance absorption in a near-thermal plasma is obtained. The heating efficiency is observed to fall sharply at densities above cut-off for the wave. At lower densities the increment in power to the limiter is measured during ECRH and is compared with that expected from the global power balance. The degradation in particle confinement often associated with ECRH is observed as an increased particle flux at the boundary driven by local electrostatic fluctuations. Initial experiments on the electron cyclotron wave driven current at the second harmonic show effects that are consistent with the low efficiency expected from theory including trapped particle effects. (author). 9 refs, 4 figs

Control of π-Electron Rotations in Chiral Aromatic Molecules Using Intense Laser Pulses

Science.gov (United States)

Kanno, Manabu; Kono, Hirohiko; Fujimura, Yuichi

Our recent theoretical studies on laser-induced π-electron rotations in chiral aromatic molecules are reviewed. π electrons of a chiral aromatic molecule can be rotated along its aromatic ring by a nonhelical, linearly polarized laser pulse. An ansa aromatic molecule with a six-membered ring, 2,5-dichloro[n](3,6) pyrazinophane, which belongs to a planar-chiral molecule group, and its simplified molecule 2,5-dichloropyrazine are taken as model molecules. Electron wavepacket simulations in the frozen-molecular-vibration approximation show that the initial direction of π-electron rotation depends on the polarization direction of a linearly polarized laser pulse applied. Consecutive unidirectional rotation can be achieved by applying a sequence of linearly polarized pump and dump pulses to prevent reverse rotation. Optimal control simulations of π-electron rotation show that another controlling factor for unidirectional rotation is the relative optical phase between the different frequency components of an incident pulse in addition to photon polarization direction. Effects of nonadiabatic coupling between π-electron rotation and molecular vibrations are also presented, where the constraints of the frozen approximation are removed. The angular momentum gradually decays mainly owing to nonadiabatic coupling, while the vibrational amplitudes greatly depend on their rotation direction. This suggests that the direction of π-electron rotation on an attosecond timescale can be identified by detecting femtosecond molecular vibrations.

Atomistic absorption spectra and non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

Science.gov (United States)

Glowacki, David

Recently, we outlined an efficient multi-tiered parallel excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground/excited state energies and gradients of large supramolecular complexes in atomistic detail. In this paper, we apply our ab initioexciton framework to the 27 coupled bacteriocholorophyll-a chromophores which make up the LH2 complex, using it to compute linear absorption spectra and short-time, on-the-fly nonadiabatic surface-hopping (SH) dynamics of electronically excited LH2. Our ab initio exciton model includes two key parameters whose values are determined by fitting to experiment: d, which is added to the diagonal elements, corrects for the error in TDDFT vertical excitation energies on a single chromophore; and e, which occurs on the off-diagonal matrix elements, describes the average dielectric screening of the inter-chromophore transition-dipole coupling. Using snapshots obtained from equilibrium molecular dynamics simulations (MD) of LH2, best-fit values of both d and e were obtained by fitting to the thermally broadened experimental absorption spectrum within the Frank-Condon approximation, providing a linear absorption spectrum that agrees reasonably well with the experimental observations. We follow the nonadiabatic dynamics using surface hopping to construct time-resolved visualizations of the EET dynamics in the sub-picosecond regime following photoexcitation. This provides some qualitative insight into the excitonic energy transfer (EET) that results from atomically resolved vibrational fluctuations of the chromophores. The dynamical picture that emerges is one of rapidly fluctuating eigenstates that are delocalized over multiple chromophores and undergo frequent crossing on a femtosecond timescale as a result of the underlying chromophore vibrational dynamics. The eigenstate fluctuations arise from disorder in both the diagonal chromophore site energies and the off-diagonal inter

Particle-in-cell Simulations with Kinetic Electrons

International Nuclear Information System (INIS)

Lewandowski, J.L.V.

2004-01-01

A new scheme, based on an exact separation between adiabatic and nonadiabatic electron responses, for particle-in-cell (PIC) simulations of drift-type modes is presented. The (linear and nonlinear) elliptic equations for the scalar fields are solved using a multi-grid solver. The new scheme yields linear growth rates in excellent agreement with theory and it is shown to conserve energy well into the nonlinear regime. It is also demonstrated that simulations with few electrons are reliable and accurate, suggesting that large-scale, PIC simulations with electron dynamics in toroidal geometry (e.g., tokamaks and stellarators plasmas) are within reach of present-day massively parallel supercomputers

Velocity Spread Reduction for Axis-encircling Electron Beam Generated by Single Magnetic Cusp

Science.gov (United States)

Jeon, S. G.; Baik, C. W.; Kim, D. H.; Park, G. S.; Sato, N.; Yokoo, K.

2001-10-01

Physical characteristics of an annular Pierce-type electron gun are investigated analytically. An annular electron gun is used in conjunction with a non-adiabatic magnetic reversal and an adiabatic compression to produce an axis-encircling electron beam. Velocity spread close to zero is realized with an initial canonical angular momentum spread at the cathode when the beam trajectory does not coincide with the magnetic flux line. Both the analytical calculation and the EGUN code simulation confirm this phenomenon.

Non-adiabatic pressure loss boundary condition for modelling turbocharger turbine pulsating flow

International Nuclear Information System (INIS)

Chiong, M.S.; Rajoo, S.; Romagnoli, A.; Costall, A.W.; Martinez-Botas, R.F.

2015-01-01

Highlights: • Bespoke non-adiabatic pressure loss boundary for pulse flow turbine modelling. • Predictions show convincing results against experimental and literature data. • Predicted pulse pressure propagation is in good agreement with literature data. • New methodology is time efficient and requires minimal geometrical inputs. - Abstract: This paper presents a simplified methodology of pulse flow turbine modelling, as an alternative over the meanline integrated methodology outlined in previous work, in order to make its application to engine cycle simulation codes much more straight forward. This is enabled through the development of a bespoke non-adiabatic pressure loss boundary to represent the turbine rotor. In this paper, turbocharger turbine pulse flow performance predictions are presented along with a comparison of computation duration against the previously established integrated meanline method. Plots of prediction deviation indicate that the mass flow rate and actual power predictions from both methods are highly comparable and are reasonably close to experimental data. However, the new boundary condition required significantly lower computational time and rotor geometrical inputs. In addition, the pressure wave propagation in this simplified unsteady turbine model at different pulse frequencies has also been found to be in agreement with data from the literature, thereby supporting the confidence in its ability to simulate the wave action encountered in turbine pulse flow operation

Lewis Base Passivation of Hybrid Halide Perovskites Slows Electron-Hole Recombination: Time-Domain Ab Initio Analysis.

Science.gov (United States)

Liu, Lihong; Fang, Wei-Hai; Long, Run; Prezhdo, Oleg V

2018-03-01

Nonradiative electron-hole recombination plays a key role in determining photon conversion efficiencies in solar cells. Experiments demonstrate significant reduction in the recombination rate upon passivation of methylammonium lead iodide perovskite with Lewis base molecules. Using nonadiabatic molecular dynamics combined with time-domain density functional theory, we find that the nonradiative charge recombination is decelerated by an order of magnitude upon adsorption of the molecules. Thiophene acts by the traditional passivation mechanism, forcing electron density away from the surface. In contrast, pyridine localizes the electron at the surface while leaving it energetically near the conduction band edge. This is because pyridine creates a stronger coordinative bond with a lead atom of the perovskite and has a lower energy unoccupied orbital compared with thiophene due to the more electronegative nitrogen atom relative to thiophene's sulfur. Both molecules reduce two-fold the nonadiabatic coupling and electronic coherence time. A broad range of vibrational modes couple to the electronic subsystem, arising from inorganic and organic components. The simulations reveal the atomistic mechanisms underlying the enhancement of the excited-state lifetime achieved by the perovskite passivation, rationalize the experimental results, and advance our understanding of charge-phonon dynamics in perovskite solar cells.

Electron Bernstein wave heating and current drive effects in QUEST

International Nuclear Information System (INIS)

Idei, H.; Zushi, H.; Hanada, K.; Nakamura, K.; Fujisawa, A.; Nagashima, Y.; Hasegawa, M.; Matsuoka, K.; Watanabe, H.; Yoshida, N.; Tokunaga, K.; Kawasaki, S.; Nakashima, H.; Higashijima, A.; Kalinnikova, E.; Sakaguchi, M.; Itado, T.; Tashima, S.; Fukuyama, A.; Ejiri, A.; Takase, Y.; Igami, H.; Kubo, S.; Toi, K.; Isobe, M.; Nagaoka, K.; Nakanishi, H.; Nishino, N.; Ueda, Y.; Kikuchi, Mitsuru; Fujita, Takaaki; Mitarai, O.; Maekawa, T.

2012-11-01

Electron Bernstein Wave Heating and Current Drive (EBWH/CD) effects have been first observed in over dense plasmas using the developed phased-array antenna (PAA) system in QUEST. Good focusing and steering properties tested in the low power facilities were confirmed with a high power level in the QUEST device. The new operational window to sustain the plasma current was observed in the RF-sustained high-density plasmas at the higher incident RF power. Increment and decrement of the plasma current and the loop voltage were observed in the over dense ohmic plasma by the RF injection respectively, indicating the EBWH/CD effects. (author)

Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption

Science.gov (United States)

Dorenkamp, Yvonne; Jiang, Hongyan; Köckert, Hansjochen; Hertl, Nils; Kammler, Marvin; Janke, Svenja M.; Kandratsenka, Alexander; Wodtke, Alec M.; Bünermann, Oliver

2018-01-01

Inelastic scattering of H and D atoms from the (111) surfaces of six fcc transition metals (Au, Pt, Ag, Pd, Cu, and Ni) was investigated, and in each case, excitation of electron-hole pairs dominates the inelasticity. The results are very similar for all six metals. Differences in the average kinetic energy losses between metals can mainly be attributed to different efficiencies in the coupling to phonons due to the different masses of the metal atoms. The experimental observations can be reproduced by molecular dynamics simulations based on full-dimensional potential energy surfaces and including electronic excitations by using electronic friction in the local density friction approximation. The determining factors for the energy loss are the electron density at the surface, which is similar for all six metals, and the mass ratio between the impinging atoms and the surface atoms. Details of the electronic structure of the metal do not play a significant role. The experimentally validated simulations are used to explore sticking over a wide range of incidence conditions. We find that the sticking probability increases for H and D collisions near normal incidence—consistent with a previously reported penetration-resurfacing mechanism. The sticking probability for H or D on any of these metals may be represented as a simple function of the incidence energy, Ein, metal atom mass, M, and incidence angle, 𝜗i n. S =(S0+a ṡEi n+b ṡM ) *(1 -h (𝜗i n-c ) (1 -cos(𝜗 i n-c ) d ṡh (Ei n-e ) (Ei n-e ) ) ) , where h is the Heaviside step function and for H, S0 = 1.081, a = -0.125 eV-1, b =-8.40 ṡ1 0-4 u-1, c = 28.88°, d = 1.166 eV-1, and e = 0.442 eV; whereas for D, S0 = 1.120, a = -0.124 eV-1, b =-1.20 ṡ1 0-3 u-1, c = 28.62°, d = 1.196 eV-1, and e = 0.474 eV.

Photoinduced electron transfer in covalent ruthenium-anthraquinone dyads: relative importance of driving-force, solvent polarity, and donor-bridge energy gap.

Science.gov (United States)

Hankache, Jihane; Wenger, Oliver S

2012-02-28

Four rigid rod-like molecules comprised of a Ru(bpy)(3)(2+) (bpy = 2,2'-bipyridine) photosensitizer, a 9,10-anthraquinone electron acceptor, and a molecular bridge connecting the two redox partners were synthesized and investigated by optical spectroscopic and electrochemical means. An attempt was made to assess the relative importance of driving-force, solvent polarity, and bridge variation on the rates of photoinduced electron transfer in these molecules. Expectedly, introduction of tert-butyl substituents in the bipyridine ligands of the ruthenium complex and a change in solvent from dichloromethane to acetonitrile lead to a significant acceleration of charge transfer rates. In dichloromethane, photoinduced electron transfer is not competitive with the inherent excited-state deactivation processes of the photosensitizer. In acetonitrile, an increase in driving-force by 0.2 eV through attachment of tert-butyl substituents to the bpy ancillary ligands causes an increase in electron transfer rates by an order of magnitude. Replacement of a p-xylene bridge by a p-dimethoxybenzene spacer entails an acceleration of charge transfer rates by a factor of 3.5. In the dyads from this study, the relative order of importance of individual influences on electron transfer rates is therefore as follows: solvent polarity ≥ driving-force > donor-bridge energy gap.

Accurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH molecule

Science.gov (United States)

Diniz, Leonardo G.; Kirnosov, Nikita; Alijah, Alexander; Mohallem, José R.; Adamowicz, Ludwik

2016-04-01

A very accurate dipole moment curve (DMC) for the ground X1Σ+ electronic state of the 7LiH molecule is reported. It is calculated with the use of all-particle explicitly correlated Gaussian functions with shifted centers. The DMC - the most accurate to our knowledge - and the corresponding highly accurate potential energy curve are used to calculate the transition energies, the transition dipole moments, and the Einstein coefficients for the rovibrational transitions with ΔJ = - 1 and Δv ⩽ 5 . The importance of the non-adiabatic effects in determining these properties is evaluated using the model of a vibrational R-dependent effective reduced mass in the rovibrational calculations introduced earlier (Diniz et al., 2015). The results of the present calculations are used to assess the quality of the two complete linelists of 7LiH available in the literature.

Characterization of electron-deficient chemical bonding of diborane with attosecond electron wavepacket dynamics and laser response

International Nuclear Information System (INIS)

Yonehara, Takehiro; Takatsuka, Kazuo

2009-01-01

We report a theoretical study of non-adiabatic electrons-nuclei coupled dynamics of diborane H 2 BH 2 BH 2 under several types of short pulse lasers. This molecule is known to have particularly interesting geometrical and electronic structures, which originate from the electron-deficient chemical bondings. We revisit the chemical bonding of diborane from the view point of electron wavepacket dynamics coupled with nuclear motions, and attempt to probe the characteristics of it by examining its response to intense laser fields. We study in the following three aspects, (i) bond formation of diborane by collision between two monoboranes, (ii) attosecond electron wavepacket dynamics in the ground state and first excited state by circularly polarized laser pulse, and (iii) induced fragmentation back to monoborane molecules by linearly polarized laser. The wave lengths of two types of laser field employed are 200 nm (in UV range) and 800 nm (in IR range), and we track the dynamics from hundreds of attoseconds up to few tens of femtoseconds. To this end, we apply the ab initio semiclassical Ehrenfest theory, into which the classical vector potential of a laser field is introduced. Basic features of the non-adiabatic response of electrons to the laser fields is elucidated in this scheme. To analyze the electronic wavepackets thus obtained, we figure out bond order density that is a spatial distribution of the bond order and bond order flux density arising only from the bonding regions, and so on. Main findings in this work are: (i) dimerization of monoboranes to diborane is so efficient that even intense laser is hard to prevent it; (ii) collective motions of electron flux emerge in the central BHHB bonding area in response to the circularly polarized laser fields; (iii) laser polarization with the direction of central two BH bonding vector is efficient for the cleavage of BH 3 -BH 3 ; and (iv) nuclear derivative coupling plays a critical role in the field induced

On the fly quantum dynamics of electronic and nuclear wave packets

Science.gov (United States)

Komarova, Ksenia G.; Remacle, F.; Levine, R. D.

2018-05-01

Multielectronic states quantum dynamics on a grid is described in a manner motivated by on the fly classical trajectory computations. Non stationary electronic states are prepared by a few cycle laser pulse. The nuclei respond and begin moving. We solve the time dependent Schrödinger equation for the electronic and nuclear dynamics for excitation from the ground electronic state. A satisfactory accuracy is possible using a localized description on a discrete grid. This enables computing on the fly for both the nuclear and electronic dynamics including non-adiabatic couplings. Attosecond dynamics in LiH is used as an example.

Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer.

Science.gov (United States)

Mendieta-Moreno, Jesús I; Trabada, Daniel G; Mendieta, Jesús; Lewis, James P; Gómez-Puertas, Paulino; Ortega, José

2016-11-03

The absorption of ultraviolet radiation by DNA may result in harmful genetic lesions that affect DNA replication and transcription, ultimately causing mutations, cancer, and/or cell death. We analyze the most abundant photochemical reaction in DNA, the cyclobutane thymine dimer, using hybrid quantum mechanics/molecular mechanics (QM/MM) techniques and QM/MM nonadiabatic molecular dynamics. We find that, due to its double helix structure, DNA presents a free energy barrier between nonreactive and reactive conformations leading to the photolesion. Moreover, our nonadiabatic simulations show that most of the photoexcited reactive conformations return to standard B-DNA conformations after an ultrafast nonradiative decay to the ground state. This work highlights the importance of dynamical effects (free energy, excited-state dynamics) for the study of photochemical reactions in biological systems.

X-ray system with coupled source drive and detector drive

International Nuclear Information System (INIS)

1976-01-01

An electronic coupling replacing the (more expensive) mechanical coupling which controls the speed of two sets of two electric motors, one driving an X-ray source and the other an X-ray detector, is described. Source and detector are kept rotating in parallel planes with a fairly constant velocity ratio. The drives are controlled by an electronic system comprising a comparator circuit comparing the position-indicative signals, a process control circuit and an inverter switch. The control system regulates the speed of the electric motors. The signal processing is described

Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer

Science.gov (United States)

Tiwari, Vivek; Jonas, David M.

2018-02-01

Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a

Contrasting dynamics of electrons and protons in the near-Earth plasma sheet during dipolarization

Science.gov (United States)

Malykhin, Andrey Y.; Grigorenko, Elena E.; Kronberg, Elena A.; Koleva, Rositza; Ganushkina, Natalia Y.; Kozak, Ludmila; Daly, Patrick W.

2018-05-01

The fortunate location of Cluster and the THEMIS P3 probe in the near-Earth plasma sheet (PS) (at X ˜ -7-9 RE) allowed for the multipoint analysis of properties and spectra of electron and proton injections. The injections were observed during dipolarization and substorm current wedge formation associated with braking of multiple bursty bulk flows (BBFs). In the course of dipolarization, a gradual growth of the BZ magnetic field lasted ˜ 13 min and it was comprised of several BZ pulses or dipolarization fronts (DFs) with duration ≤ 1 min. Multipoint observations have shown that the beginning of the increase in suprathermal ( > 50 keV) electron fluxes - the injection boundary - was observed in the PS simultaneously with the dipolarization onset and it propagated dawnward along with the onset-related DF. The subsequent dynamics of the energetic electron flux was similar to the dynamics of the magnetic field during the dipolarization. Namely, a gradual linear growth of the electron flux occurred simultaneously with the gradual growth of the BZ field, and it was comprised of multiple short ( ˜ few minutes) electron injections associated with the BZ pulses. This behavior can be explained by the combined action of local betatron acceleration at the BZ pulses and subsequent gradient drifts of electrons in the flux pile up region through the numerous braking and diverting DFs. The nonadiabatic features occasionally observed in the electron spectra during the injections can be due to the electron interactions with high-frequency electromagnetic or electrostatic fluctuations transiently observed in the course of dipolarization. On the contrary, proton injections were detected only in the vicinity of the strongest BZ pulses. The front thickness of these pulses was less than a gyroradius of thermal protons that ensured the nonadiabatic acceleration of protons. Indeed, during the injections in the energy spectra of protons the pronounced bulge was clearly observed in a

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

DEFF Research Database (Denmark)

Bochenkova, Anastasia; Andersen, Lars Henrik

2013-01-01

The anionic wild-type Green Fluorescent Protein (GFP) chromophore defines the entire class of naturally occurring chromophores, which are based on the oxydized tyrosine side chain. The GFP chromophore exhibits an enriched photoinduced non-adiabatic dynamics in the multiple excited-state decay cha...

A unified picture of energy and electron transfer in primary photosynthesis

International Nuclear Information System (INIS)

Barter, Laura M.C.; Klug, David R.

2005-01-01

A quantitative structure-function relationship for an enzyme should relate the coordinates of atoms in a protein structure to the rates, equilibria and activation energies of the catalysed reaction. In effect, the calculational tools used for determining a structure-function relationship in an enzyme are linking two sets of experimental data, one data set being the coordinates of the enzymes constituent atoms and the other being measurements of its chemical activity. The ability to compare structure and function in this quantitative manner is an important stage in the ultimate development of engineering design rules for biological catalysts. This paper discusses the determination of parameters, in particular the state energies and the free energy surfaces that control the structure-function relationship, and thus the catalytic function of a photosynthetic enzyme. We discuss two different microscopic descriptions, one using conventional non-adiabatic electron transfer theory and the other a supermolecular description of the system (the Multimer Model), which takes into account the electron-phonon coupling in the system in a consistent manner. We demonstrate that although conventional non-adiabatic theory can be employed to reproduce the rates of electron transfer it cannot be employed to provide a consistent and unified description of all the spectroscopic data available in the literature from studies of this enzyme

A unified picture of energy and electron transfer in primary photosynthesis

Energy Technology Data Exchange (ETDEWEB)

Barter, Laura M.C. [Molecular Dynamics Group, Room 266, Department of Chemistry, South Kensington Campus, Exhibition Road, Imperial College London, SW7 2AZ (United Kingdom)], E-mail: l.barter@ic.ac.uk; Klug, David R. [Molecular Dynamics Group, Room 266, Department of Chemistry, South Kensington Campus, Exhibition Road, Imperial College London, SW7 2AZ (United Kingdom)

2005-12-07

A quantitative structure-function relationship for an enzyme should relate the coordinates of atoms in a protein structure to the rates, equilibria and activation energies of the catalysed reaction. In effect, the calculational tools used for determining a structure-function relationship in an enzyme are linking two sets of experimental data, one data set being the coordinates of the enzymes constituent atoms and the other being measurements of its chemical activity. The ability to compare structure and function in this quantitative manner is an important stage in the ultimate development of engineering design rules for biological catalysts. This paper discusses the determination of parameters, in particular the state energies and the free energy surfaces that control the structure-function relationship, and thus the catalytic function of a photosynthetic enzyme. We discuss two different microscopic descriptions, one using conventional non-adiabatic electron transfer theory and the other a supermolecular description of the system (the Multimer Model), which takes into account the electron-phonon coupling in the system in a consistent manner. We demonstrate that although conventional non-adiabatic theory can be employed to reproduce the rates of electron transfer it cannot be employed to provide a consistent and unified description of all the spectroscopic data available in the literature from studies of this enzyme.

A comparative study of methods for describing non-adiabatic coupling: diabatic representation of the 1Sigma +/1Pi HOH and HHO conical intersections

Science.gov (United States)

Dobbyn, Abigail J.; Knowles, Peter J.

A number of established techniques for obtaining diabatic electronic states in small molecules are critically compared for the example of the X and B states in the water molecule, which contribute to the two lowest-energy conical intersections. Integration of the coupling matrix elements and analysis of configuration mixing coefficients both produce reliable diabatic states globally. Methods relying on diagonalization of dipole moment and angular momentum operators are shown to fail in large regions of coordinate space. However, the use of transition angular momentum matrix elements involving the A state, which is degenerate with B at the conical intersections, is successful globally, provided that an appropriate choice of coordinates is made. Long range damping of non-adiabatic coupling to give correct asymptotic mixing angles also is investigated.

Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH(X~/A~) products in the B-band photodissociation of H2O

International Nuclear Information System (INIS)

Zhou, Linsen; Xie, Daiqian; Guo, Hua

2015-01-01

A detailed quantum mechanical characterization of the photodissociation dynamics of H 2 O at 121.6 nm is presented. The calculations were performed using a full-dimensional wave packet method on coupled potential energy surfaces of all relevant electronic states. Our state-to-state model permits a detailed analysis of the OH(X ~ /A ~ ) product fine-structure populations as a probe of the non-adiabatic dissociation dynamics. The calculated rotational state distributions of the two Λ-doublet levels of OH(X ~ , v = 0) exhibit very different characteristics. The A′ states, produced mostly via the B ~ →X ~ conical intersection pathway, have significantly higher populations than the A″ counterparts, which are primarily from the B ~ →A ~ Renner-Teller pathway. The former features a highly inverted and oscillatory rotational state distribution, while the latter has a smooth distribution with much less rotational excitation. In good agreement with experiment, the calculated total OH(X ~ ) rotational state distribution and anisotropy parameters show clear even-odd oscillations, which can be attributed to a quantum mechanical interference between waves emanating from the HOH and HHO conical intersections in the B ~ →X ~ non-adiabatic pathway. On the other hand, the experiment-theory agreement for the OH(A ~ ) fragment is also satisfactory, although some small quantitative differences suggest remaining imperfections of the ab initio based potential energy surfaces

Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH(X̃/Ã) products in the B-band photodissociation of H2O.

Science.gov (United States)

Zhou, Linsen; Xie, Daiqian; Guo, Hua

2015-03-28

A detailed quantum mechanical characterization of the photodissociation dynamics of H2O at 121.6 nm is presented. The calculations were performed using a full-dimensional wave packet method on coupled potential energy surfaces of all relevant electronic states. Our state-to-state model permits a detailed analysis of the OH(X̃/Ã) product fine-structure populations as a probe of the non-adiabatic dissociation dynamics. The calculated rotational state distributions of the two Λ-doublet levels of OH(X̃, v = 0) exhibit very different characteristics. The A' states, produced mostly via the B̃→X̃ conical intersection pathway, have significantly higher populations than the A″ counterparts, which are primarily from the B̃→Ã Renner-Teller pathway. The former features a highly inverted and oscillatory rotational state distribution, while the latter has a smooth distribution with much less rotational excitation. In good agreement with experiment, the calculated total OH(X̃) rotational state distribution and anisotropy parameters show clear even-odd oscillations, which can be attributed to a quantum mechanical interference between waves emanating from the HOH and HHO conical intersections in the B̃→X̃ non-adiabatic pathway. On the other hand, the experiment-theory agreement for the OH(Ã) fragment is also satisfactory, although some small quantitative differences suggest remaining imperfections of the ab initio based potential energy surfaces.

Review of current drive theory: selected topics

International Nuclear Information System (INIS)

Fisch, N.J.

1993-01-01

Two themes in current drive theory in tokamaks are reviewed, both relevant to the progression of tokamak experiments toward the reactor regime. First, the physics of the tail electrons is reviewed. These electrons are capable of carrying enormous rf-driven electric current, and, in the course of current-drive experiments worldwide not only has the current drive effect been demonstrated, but the underlying physical description of these tail electrons has been established. Second, anticipating the presence of the energetic alpha particles that result from D-T reactions in a reactor, certain mechanisms through which these alpha particles can be used to facilitate current-drive are reviewed. (Author)

Sawtooth control by on-axis electron cyclotron current drive on the WT-3 tokamak

International Nuclear Information System (INIS)

Asakawa, M.; Tanabe, K.; Nakayama, A.; Watanabe, M.; Nakamura, M.; Tanaka, H.; Maekawa, T.; Terumichi, Y.

1999-01-01

The experiments on control of sawtooth oscillations (STO) by electron cyclotron current drive (ECCD) have been performed on the WT-3 tokamak. Stabilization and excitation of STO are observed for counter-ECCD and co-ECCD, respectively, when the position of the power deposition is located inside the inversion radius. These results are due to the modification of the current profile near the magnetic axis. (author)

A Motor Drive Electronics Assembly for Mars Curiosity Rover: An Example of Assembly Qualification for Extreme Environments

Science.gov (United States)

Kolawa, Elizabeth; Chen, Yuan; Mojarradi, Mohammad M.; Tudryn Weber, Carissa

2013-01-01

In this paper, the technology development and infusion of the motor drive electronics assembly, along with the technology qualification and space qualification, is described and detailed. The process is an example of the qualification methodology for extreme environmen

Safety implications of electronic driving support systems : an orientation.

NARCIS (Netherlands)

Gundy, C.M. Steyvers, F.J.J.M. & Kaptein, N.A.

1995-01-01

This report focuses on traffic safety aspects of driving support systems. The report consists of two parts. First of all, the report discusses a number of topics, relevant for the implementation and evaluation of driving support systems. These topics include: (1) safety research into driving support

A spherical electron cloud hopping model for studying product branching ratios of dissociative recombination.

Science.gov (United States)

Yu, Hua-Gen

2008-05-21

A spherical electron cloud hopping (SECH) model is proposed to study the product branching ratios of dissociative recombination (DR) of polyatomic systems. In this model, the fast electron-captured process is treated as an instantaneous hopping of a cloud of uniform spherical fractional point charges onto a target M+q ion (or molecule). The sum of point charges (-1) simulates the incident electron. The sphere radius is determined by a critical distance (Rc eM) between the incoming electron (e-) and the target, at which the potential energy of the e(-)-M+q system is equal to that of the electron-captured molecule M+q(-1) in a symmetry-allowed electronic state with the same structure as M(+q). During the hopping procedure, the excess energies of electron association reaction are dispersed in the kinetic energies of M+q(-1) atoms to conserve total energy. The kinetic energies are adjusted by linearly adding atomic momenta in the direction of driving forces induced by the scattering electron. The nuclear dynamics of the resultant M+q(-1) molecule are studied by using a direct ab initio dynamics method on the adiabatic potential energy surface of M+q(-1), or together with extra adiabatic surface(s) of M+q(-1). For the latter case, the "fewest switches" surface hopping algorithm of Tully was adapted to deal with the nonadiabaticity in trajectory propagations. The SECH model has been applied to study the DR of both CH+ and H3O+(H2O)2. The theoretical results are consistent with the experiment. It was found that water molecules play an important role in determining the product branching ratios of the molecular cluster ion.

Reduction of angular spread at nonadiabatic electron motion in magnetically insulated diode

Energy Technology Data Exchange (ETDEWEB)

Arzhannikov, A V; Sinitskij, S L [Institute of Nuclear Physics, Novosibirsk (Russian Federation)

1997-12-31

The behavior of the electron pitch-angle was investigated by analytical and numerical methods for the case of a magnetically insulated diode with a ribbon geometry. It is shown that at the boundary of the adiabaticity of the electron motion the angle can be multiply reduced by choice of a special inhomogeneity of the magnetic field. Analytic expressions for the final pitch-angle of the beam electrons are given. (author). 2 figs., 3 refs.

Electron attachment in F2 - Conclusive demonstration of nonresonant, s-wave coupling in the limit of zero electron energy

Science.gov (United States)

Chutjian, A.; Alajajian, S. H.

1987-01-01

Dissociative electron attachment to F2 has been observed in the energy range 0-140 meV, at a resolution of 6 meV (full width at half maximum). Results show conclusively a sharp, resolution-limited threshold behavior consistent with an s-wave cross section varying as sq rt of epsilon. Two accurate theoretical calculations predict only p-wave behavior varying as the sq rt of epsilon. Several nonadiabatic coupling effects leading to s-wave behavior are outlined.

On the Magnitude of the Nonadiabatic Error for Highly Coupled Radicals

Science.gov (United States)

Stanton, J. F.

2009-06-01

A review is given of recent advances in the construction of (quasi)diabatic model Hamiltonians and their application to analyzing the spectroscopy of molecules with strong vibronic coupling. A numerical application to the vibronic levels of the BNB radical below 0.6 eV is presented, together with corresponding adiabatic (quantum chemistry) calculations. The agreement with the experimental levels is nearly quantitative with the model Hamiltonian, attesting to the power of the approach. On the contrary, it is also revealed that the magnitude of the nonadiabatic contributions to the zero-point energy and the lowest fundamental frequency of the coupling mode are considerably larger than expected, at least by your narrator.

Watching Electrons at Conical Intersections and Funnels

Science.gov (United States)

Jonas, David M.; Smith, Eric R.; Peters, William K.; Kitney, Katherine A.

2009-06-01

The electronic motion at conical intersections and funnels is probed after polarized excitation of aligned electronic wavepackets. The pulses have bandwidth sufficient to observe vibrations mainly through their effect on the electrons. Vibrational symmetry can be identified by the polarization anisotropy of vibrational quantum beats. The polarized transients show signatures of electronic wavepacket motion (due to the energy gaps) and of electron transfer between orbitals (due to the couplings) driven by the conical intersection. For a conical intersection in a four-fold symmetric symmetry silicon naphthalocyanine molecule, electronic motions on a 100 fs timescale are driven by couplings of 1 meV. In the lower symmetry free-base naphthalocyanine, the conical intersection may be missed or missing (conical funnel), and the motions are nearly as rapid, but electronic equilibration is incomplete for red-edge excitation. These experiments probe non-adiabatic electronic dynamics with near-zero nuclear momentum - the electronic motions are determined by the principal slopes of the conical intersection and the width of the vibrational wavepacket.

Theoretical study of the electron stopping power in ion planar channeling

International Nuclear Information System (INIS)

Haymann, P.

1974-01-01

A theory recently developed by the authors for slow and fast electrons is shown to be also applicable to channeled ions and to explain the experimental results about electron loss phenomena as a whole. The theory is based on the fundamental hypothesis of the nonadiabaticity of the ion-target interactions. How essential an exponential form of the interaction pseudo-potential is in explaining the energy exchange mechanism at the walls may be deduced from a quasi-classical development of the quantum model. The theory also allows a number of new experiments to be envisaged in the field of surface electron states [fr

The effects of electron cyclotron heating and current drive on toroidal Alfvén eigenmodes in tokamak plasmas

Science.gov (United States)

Sharapov, S. E.; Garcia-Munoz, M.; Van Zeeland, M. A.; Bobkov, B.; Classen, I. G. J.; Ferreira, J.; Figueiredo, A.; Fitzgerald, M.; Galdon-Quiroga, J.; Gallart, D.; Geiger, B.; Gonzalez-Martin, J.; Johnson, T.; Lauber, P.; Mantsinen, M.; Nabais, F.; Nikolaeva, V.; Rodriguez-Ramos, M.; Sanchis-Sanchez, L.; Schneider, P. A.; Snicker, A.; Vallejos, P.; the AUG Team; the EUROfusion MST1 Team

2018-01-01

Dedicated studies performed for toroidal Alfvén eigenmodes (TAEs) in ASDEX-Upgrade (AUG) discharges with monotonic q-profiles have shown that electron cyclotron resonance heating (ECRH) can make TAEs more unstable. In these AUG discharges, energetic ions driving TAEs were obtained by ion cyclotron resonance heating (ICRH). It was found that off-axis ECRH facilitated TAE instability, with TAEs appearing and disappearing on timescales of a few milliseconds when the ECRH power was switched on and off. On-axis ECRH had a much weaker effect on TAEs, and in AUG discharges performed with co- and counter-current electron cyclotron current drive (ECCD), the effects of ECCD were found to be similar to those of ECRH. Fast ion distributions produced by ICRH were computed with the PION and SELFO codes. A significant increase in T e caused by ECRH applied off-axis is found to increase the fast ion slowing-down time and fast ion pressure causing a significant increase in the TAE drive by ICRH-accelerated ions. TAE stability calculations show that the rise in T e causes also an increase in TAE radiative damping and thermal ion Landau damping, but to a lesser extent than the fast ion drive. As a result of the competition between larger drive and damping effects caused by ECRH, TAEs become more unstable. It is concluded, that although ECRH effects on AE stability in present-day experiments may be quite significant, they are determined by the changes in the plasma profiles and are not particularly ECRH specific.

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

Science.gov (United States)

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

2014-09-07

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

A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions

Science.gov (United States)

Raymond, Neil; Iouchtchenko, Dmitri; Roy, Pierre-Nicholas; Nooijen, Marcel

2018-05-01

We introduce a new path integral Monte Carlo method for investigating nonadiabatic systems in thermal equilibrium and demonstrate an approach to reducing stochastic error. We derive a general path integral expression for the partition function in a product basis of continuous nuclear and discrete electronic degrees of freedom without the use of any mapping schemes. We separate our Hamiltonian into a harmonic portion and a coupling portion; the partition function can then be calculated as the product of a Monte Carlo estimator (of the coupling contribution to the partition function) and a normalization factor (that is evaluated analytically). A Gaussian mixture model is used to evaluate the Monte Carlo estimator in a computationally efficient manner. Using two model systems, we demonstrate our approach to reduce the stochastic error associated with the Monte Carlo estimator. We show that the selection of the harmonic oscillators comprising the sampling distribution directly affects the efficiency of the method. Our results demonstrate that our path integral Monte Carlo method's deviation from exact Trotter calculations is dominated by the choice of the sampling distribution. By improving the sampling distribution, we can drastically reduce the stochastic error leading to lower computational cost.

Energy dependence of solar-neutrino--electron scattering as a test of neutral currents

International Nuclear Information System (INIS)

Kwong, W.; Rosen, S.P.

1992-01-01

The energy dependence of ν-e scattering of solar neutrinos is investigated in the framework of neutrino oscillations and the nonadiabatic Mikheyev-Smirnov-Wolfenstein effect. It is shown that, with sufficient data, it will be possible to establish unambiguously whether neutrino oscillations are actually occurring and whether the electron neutrino oscillates into active or inactive (sterile) neutrino flavors

Acceleration and Precipitation of Electrons during Substorm Dipolarization Events

Science.gov (United States)

Ashour-Abdalla, Maha; Richard, Robert; Donovan, Eric; Zhou, Meng; Goldstein, Mevlyn; El-Alaoui, Mostafa; Schriver, David; Walker, Raymond

Observations and modeling have established that during geomagnetically disturbed times the Earth’s magnetotail goes through large scale changes that result in enhanced electron precipitation into the ionosphere and earthward propagating dipolarization fronts that contain highly energized plasma. Such events originate near reconnection regions in the magnetotail at about 20-30 R_E down tail. As the dipolarization fronts propagate earthward, strong acceleration of both ions and electrons occurs due to a combination of non-adiabatic and adiabatic (betatron and Fermi) acceleration, with particle energies reaching up to 100 keV within the dipolarization front. One consequence of the plasma transport that occurs during these events is direct electron precipitation into the ionosphere, which form auroral precipitation. Using global kinetic simulations along with spacecraft and ground-based data, causes of electron precipitation are determined during well-documented, disturbed events. It is found that precipitation of keV electrons in the pre-midnight sector at latitudes around 70(°) occur due to two distinct physical processes: (1) higher latitude (≥72(°) ) precipitation due to electrons that undergo relatively rapid non-adiabatic pitch angle scattering into the loss cone just earthward of the reconnection region at around 20 R_E downtail, and (2) lower latitude (≤72(°) ) precipitation due to electrons that are more gradually accelerated primarily parallel to the geomagnetic field during its bounce motion by Fermi acceleration and enter the loss cone much closer to the Earth at 10-15 R_E, somewhat tailward of the dipolarization front. As the dipolarization fronts propagate earthward, the electron precipitation shifts to lower latitudes and occurs over a wider region in the auroral ionosphere. Our results show a direct connection between electron acceleration in the magnetotail and electron precipitation in the ionosphere during disturbed times. The electron

Modification of the Current Profile in DIII-D by Off-Axis Electron Cyclotron Current Drive

International Nuclear Information System (INIS)

Luce, T.C.; Lin-Liu, Y.R.; Harvey, R.W.; Giruzzi, G.; Lohr, J.M.; Petty, C.C.; Politzer, P.A.; Prater; Rice, B.W.

1999-01-01

Localized non-inductive currents due to electron cyclotron wave absorption have been measured on the DIII-D tokamak. Clear evidence of the non-inductive currents is seen on the internal magnetic field measurements by motional Stark effect spectroscopy. The magnitude and location of the non-inductive current is evaluated by comparing the total and Ohmic current profiles of discharges with and without electron cyclotron wave power. The measured current agrees with Fokker-Planck calculations near the magnetic axis, but exceeds the predicted value as the location of the current drive is moved to the half radius

The Organic Power Transistor: Roll-to-Roll Manufacture, Thermal Behavior, and Power Handling When Driving Printed Electronics

DEFF Research Database (Denmark)

Pastorelli, Francesco; Schmidt, Thomas Mikael; Hösel, Markus

2016-01-01

to drive large currents while handling the thermal aspects in operation together with other organic printed electronics technologies such as large area organic photovoltaics (OPV)[2] and large area electrochromic displays (EC).[3] We find especially that an elevated operational temperature is beneficial...... with respect to both transconductance and on/off ratio. We achieve high currents of up to 45mA at a temperature of 80 C with an on/ off ratio of 100 which is sufficient to drive large area organic electronics such as an EC device powered by OPV devices that we also demonstrate. Finally, we observe......We present flexible organic power transistors prepared by fast (20mmin1) roll-to-roll (R2R) flexographic printing[1] of the drain (D) and source (S) electrode structures directly on polyester foil. The devices have top gate architecture and were completed by spin coating or slot-die coating...

Memory effects in nonadiabatic molecular dynamics at metal surfaces

DEFF Research Database (Denmark)

Olsen, Thomas; Schiøtz, Jakob

2010-01-01

We study the effect of temporal correlation in a Langevin equation describing nonadiabatic dynamics at metal surfaces. For a harmonic oscillator, the Langevin equation preserves the quantum dynamics exactly and it is demonstrated that memory effects are needed in order to conserve the ground state...... energy of the oscillator. We then compare the result of Langevin dynamics in a harmonic potential with a perturbative master equation approach and show that the Langevin equation gives a better description in the nonperturbative range of high temperatures and large friction. Unlike the master equation......, this approach is readily extended to anharmonic potentials. Using density functional theory, we calculate representative Langevin trajectories for associative desorption of N-2 from Ru(0001) and find that memory effects lower the dissipation of energy. Finally, we propose an ab initio scheme to calculate...

Design of Servo Scheme and Drive Electronics for the Integrated Electrohydraulic Actuation System of RLV-TD

Science.gov (United States)

Kurian, Priya C.; Gopinath, Anish; Shinoy, K. S.; Santhi, P.; Sundaramoorthy, K.; Sebastian, Baby; Jaya, B.; Namboodiripad, M. N.; Mookiah, T.

2017-12-01

Reusable Launch Vehicle-Technology Demonstrator (RLV-TD) is a system which has the ability to carry a payload from the earth's surface to the outer space more than once. The control actuation forms the major component of the control system and it actuates the control surfaces of the RLV-TD based on the control commands. Eight electro hydraulic actuators were used in RLV-TD for vectoring the control surfaces about their axes. A centralised Hydraulic Power Generating Unit (HPU) was used for powering the eight actuators located in two stages. The actuation system had to work for the longest ever duration of about 850 s for an Indian launch vehicle. High bandwidth requirement from autopilot was met by the servo design using the nonlinear mathematical model. Single Control Electronics which drive four electrohydraulic actuators was developed for each stage. High power electronics with soft start scheme was realized for driving the BLDC motor which is the prime mover for hydraulic pump. Many challenges arose due to single HPU for two stages, uncertainty of aero load, higher bandwidth requirements etc. and provisions were incorporated in the design to successfully overcome them. This paper describes the servo design and control electronics architecture of control actuation system.

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

Science.gov (United States)

Habershon, Scott

2013-09-14

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

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

International Nuclear Information System (INIS)

Habershon, Scott

2013-01-01

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

A New Cost-Effective Multi-Drive Solution based on a Two-Stage Direct Power Electronic Conversion Topology

DEFF Research Database (Denmark)

Klumpner, Christian; Blaabjerg, Frede

2002-01-01

of a protection circuit involving twelve diodes with full voltage/current ratings used only during faulty situations, makes this topology not so attractive. Lately, two stage Direct Power Electronic Conversion (DPEC) topologies have been proposed, providing similar functionality as a matrix converter but allowing...... shared by many loads, making this topology more cost effective. The functionality of the proposed two-stage multi-drive direct power electronic conversion topology is validated by experiments on a realistic laboratory prototype....

Power electronics and motor drives

CERN Document Server

Wilamowski, Bogdan M

2011-01-01

Universities throughout the world typically provide an excellent education in the various aspects of electronics, however their focus is normally on traditional low power electronics. In contrast, in the industrial environment, there is a need for high power electronics that is used to control electromechanical systems in addition to the low power electronics typically employed for analog and digital systems. To address this need, Section 1 of this volume in The Industrial Electronics Handbook, Second Edition, is focused on special high power semiconductor devices. Section 2 not only describes

Measurement of current drive profile using electron cyclotron wave attenuation near the O-mode cutoff

International Nuclear Information System (INIS)

Fidone, I.; Meyer, R.L.; Caron, X.

1992-01-01

A method for determining the radial profile of the lower-hybrid current drive in tokamaks using electron cyclotron attenuation of the O mode for frequencies ω near the cutoff frequency is discussed. The basic idea is that, for a given wave frequency, the cutoff plays the role of a spatial filter selecting a variable portion of the noninductive current. It is shown that the incremental attenuation resulting from a small increase of ω displays specific features related to the current density near the cutoff point. Using the relation between the wave damping and the current density, it is possible to determine the radial profile of the current drive from the wave attenuation measurements. A numerical application is also presented for plasma parameters in the reactor regime

Self-consistent modeling of the dynamic evolution of magnetic island growth in the presence of stabilizing electron-cyclotron current drive

International Nuclear Information System (INIS)

Chatziantonaki, Ioanna; Tsironis, Christos; Isliker, Heinz; Vlahos, Loukas

2013-01-01

The most promising technique for the control of neoclassical tearing modes in tokamak experiments is the compensation of the missing bootstrap current with an electron-cyclotron current drive (ECCD). In this frame, the dynamics of magnetic islands has been studied extensively in terms of the modified Rutherford equation (MRE), including the presence of a current drive, either analytically described or computed by numerical methods. In this article, a self-consistent model for the dynamic evolution of the magnetic island and the driven current is derived, which takes into account the island's magnetic topology and its effect on the current drive. The model combines the MRE with a ray-tracing approach to electron-cyclotron wave-propagation and absorption. Numerical results exhibit a decrease in the time required for complete stabilization with respect to the conventional computation (not taking into account the island geometry), which increases by increasing the initial island size and radial misalignment of the deposition. (paper)

Self-consistent modeling of the dynamic evolution of magnetic island growth in the presence of stabilizing electron-cyclotron current drive

Science.gov (United States)

Chatziantonaki, Ioanna; Tsironis, Christos; Isliker, Heinz; Vlahos, Loukas

2013-11-01

The most promising technique for the control of neoclassical tearing modes in tokamak experiments is the compensation of the missing bootstrap current with an electron-cyclotron current drive (ECCD). In this frame, the dynamics of magnetic islands has been studied extensively in terms of the modified Rutherford equation (MRE), including the presence of a current drive, either analytically described or computed by numerical methods. In this article, a self-consistent model for the dynamic evolution of the magnetic island and the driven current is derived, which takes into account the island's magnetic topology and its effect on the current drive. The model combines the MRE with a ray-tracing approach to electron-cyclotron wave-propagation and absorption. Numerical results exhibit a decrease in the time required for complete stabilization with respect to the conventional computation (not taking into account the island geometry), which increases by increasing the initial island size and radial misalignment of the deposition.

Determination of the energy of suprathermal electrons during lower hybrid current drive on PBX-M

International Nuclear Information System (INIS)

von Goeler, S.; Bernabei, S.; Davis, W.; Ignat, D.; Kaita, R.; Roney, P.; Stevens, J.; Post-Zwicker, A.

1993-06-01

Suprathermal electrons are diagnosed by a hard x-ray pinhole camera during lower hybrid current drive on PBX-M. The experimental hard x-ray images are compared with simulated images, which result from an integration of the relativistic bremsstrahlung along lines-of-sight through the bean-shaped plasma. Images with centrally peaked and radially hollow radiation profiles are easily distinguished. The energy distribution of the suprathermal electrons is analyzed by comparing images taken with different absorber foils. An effective photon temperature is derived from the experimental images, and a comparison with simulated photon temperatures yields the energy of the suprathermal electrons. The analysis indicates that the energy of the suprathermal electrons in the hollow discharges is in the 50 to 100 key range in the center of the discharge. There seems to exist a very small higher energy component close to the plasma edge

A Modular Active Front-End Rectifier with Electronic Phase-Shifting for Harmonic Mitigation in Motor Drive Applications

DEFF Research Database (Denmark)

Zare, Firuz; Davari, Pooya; Blaabjerg, Frede

2017-01-01

In this paper, an electronic phase-shifting strategy has been optimized for a multi-parallel configuration of line-commutated rectifiers with a common dc-bus voltage used in motor drive application. This feature makes the performance of the system independent of the load profile and maximizes its...

Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy.

Science.gov (United States)

Bennett, Kochise; Kowalewski, Markus; Mukamel, Shaul

2016-02-09

We present a hierarchy of Fermi golden rules (FGRs) that incorporate strongly coupled electronic/nuclear dynamics in time-resolved photoelectron spectroscopy (TRPES) signals at different levels of theory. Expansion in the joint electronic and nuclear eigenbasis yields the numerically most challenging exact FGR (eFGR). The quasistatic Fermi Golden Rule (qsFGR) neglects nuclear motion during the photoionization process but takes into account electronic coherences as well as populations initially present in the pumped matter as well as those generated internally by coupling between electronic surfaces. The standard semiclassical Fermi Golden Rule (scFGR) neglects the electronic coherences and the nuclear kinetic energy during the ionizing pulse altogether, yielding the classical Condon approximation. The coherence contributions depend on the phase-profile of the ionizing field, allowing coherent control of TRPES signals. The photoelectron spectrum from model systems is simulated using these three levels of theory. The eFGR and the qsFGR show temporal oscillations originating from the electronic or vibrational coherences generated as the nuclear wave packet traverses a conical intersection. These oscillations, which are missed by the scFGR, directly reveal the time-evolving splitting between electronic states of the neutral molecule in the curve-crossing regime.

Digitally synthesized high purity, high-voltage radio frequency drive electronics for mass spectrometry

Science.gov (United States)

Schaefer, R. T.; MacAskill, J. A.; Mojarradi, M.; Chutjian, A.; Darrach, M. R.; Madzunkov, S. M.; Shortt, B. J.

2008-09-01

Reported herein is development of a quadrupole mass spectrometer controller (MSC) with integrated radio frequency (rf) power supply and mass spectrometer drive electronics. Advances have been made in terms of the physical size and power consumption of the MSC, while simultaneously making improvements in frequency stability, total harmonic distortion, and spectral purity. The rf power supply portion of the MSC is based on a series-resonant LC tank, where the capacitive load is the mass spectrometer itself, and the inductor is a solenoid or toroid, with various core materials. The MSC drive electronics is based on a field programmable gate array (FPGA), with serial peripheral interface for analog-to-digital and digital-to-analog converter support, and RS232/RS422 communications interfaces. The MSC offers spectral quality comparable to, or exceeding, that of conventional rf power supplies used in commercially available mass spectrometers; and as well an inherent flexibility, via the FPGA implementation, for a variety of tasks that includes proportional-integral derivative closed-loop feedback and control of rf, rf amplitude, and mass spectrometer sensitivity. Also provided are dc offsets and resonant dipole excitation for mass selective accumulation in applications involving quadrupole ion traps; rf phase locking and phase shifting for external loading of a quadrupole ion trap; and multichannel scaling of acquired mass spectra. The functionality of the MSC is task specific, and is easily modified by simply loading FPGA registers or reprogramming FPGA firmware.

Digitally synthesized high purity, high-voltage radio frequency drive electronics for mass spectrometry.

Science.gov (United States)

Schaefer, R T; MacAskill, J A; Mojarradi, M; Chutjian, A; Darrach, M R; Madzunkov, S M; Shortt, B J

2008-09-01

Reported herein is development of a quadrupole mass spectrometer controller (MSC) with integrated radio frequency (rf) power supply and mass spectrometer drive electronics. Advances have been made in terms of the physical size and power consumption of the MSC, while simultaneously making improvements in frequency stability, total harmonic distortion, and spectral purity. The rf power supply portion of the MSC is based on a series-resonant LC tank, where the capacitive load is the mass spectrometer itself, and the inductor is a solenoid or toroid, with various core materials. The MSC drive electronics is based on a field programmable gate array (FPGA), with serial peripheral interface for analog-to-digital and digital-to-analog converter support, and RS232/RS422 communications interfaces. The MSC offers spectral quality comparable to, or exceeding, that of conventional rf power supplies used in commercially available mass spectrometers; and as well an inherent flexibility, via the FPGA implementation, for a variety of tasks that includes proportional-integral derivative closed-loop feedback and control of rf, rf amplitude, and mass spectrometer sensitivity. Also provided are dc offsets and resonant dipole excitation for mass selective accumulation in applications involving quadrupole ion traps; rf phase locking and phase shifting for external loading of a quadrupole ion trap; and multichannel scaling of acquired mass spectra. The functionality of the MSC is task specific, and is easily modified by simply loading FPGA registers or reprogramming FPGA firmware.

Nonadiabatic quantum state control of many bosons in few wells

DEFF Research Database (Denmark)

Tichy, Malte C.; Kock Pedersen, Mads; Mølmer, Klaus

2013-01-01

We present a fast scheme for arbitrary unitary control of interacting bosonic atoms in a double well. Assuming fixed interwell tunneling rate and intrawell interaction strength, we control the many-atom state by a discrete sequence of shifts of the single-well energies. For strong interactions......, resonant tunneling transitions implement beam-splitter U(2) rotations among atom number eigenstates, which can be combined and, thus, permit full controllability. By numerically optimizing such sequences of couplings at avoided level crossings, we extend the realm of full controllability to a wide range...... of realistic interaction parameters, while we remain in the simple control space. We demonstrate the efficiency and the high achievable fidelity of our proposal with nonadiabatic population transfer, NOON-state creation, a cnot gate, and a transistorlike, conditional evolution of several atoms....

A kinetic model for the transport of electrons in a graphene layer

Energy Technology Data Exchange (ETDEWEB)

Fermanian Kammerer, Clotilde, E-mail: Clotilde.Fermanian@u-pec.fr [Laboratoire d' Analyse et de Mathématiques Appliquées, Université Paris Est and CNRS, 61, avenue du Général de Gaulle, 94010 Créteil Cedex (France); Méhats, Florian, E-mail: florian.mehats@univ-rennes1.fr [Institut de Recherche Mathématique de Rennes, IPSO Inria team, Université Rennes 1 and CNRS, Campus de Beaulieu, 35042 Rennes cedex (France)

2016-12-15

In this article, we propose a new numerical scheme for the computation of the transport of electrons in a graphene device. The underlying quantum model for graphene is a massless Dirac equation, whose eigenvalues display a conical singularity responsible for non-adiabatic transitions between the two modes. We first derive a kinetic model which takes the form of two Boltzmann equations coupled by a collision operator modeling the non-adiabatic transitions. This collision term includes a Landau–Zener transfer term and a jump operator whose presence is essential in order to ensure a good energy conservation during the transitions. We propose an algorithmic realization of the semi-group solving the kinetic model, by a particle method. We give analytic justification of the model and propose a series of numerical experiments studying the influences of the various sources of errors between the quantum and the kinetic models.

S-band 300 W pulsed solid state microwave amplifier development for driving high power klystrons for electron accelerators

International Nuclear Information System (INIS)

Mohania, Praveen; Shrivastava, Purushottam; Hannurkar, P.R.

2005-01-01

S-Band Microwave electron accelerators like microtrons and linear accelerators need pulsed microwaves from few megawatts to tens of megawatts to accelerator the electrons to desired energy and intensity. Klystron tube based driver amplifiers were used to drive the high power klystrons, which need microwave power from few tens of watts to 1 kW depending on tube output power and gain. A endeavour was initiated at Centre for Advanced Technology to develop state of art solid state S-band microwave amplifiers indigenously to drive the klystron tubes. A modular design approach was used and individual modules up to 160 W power levels were developed and tested. Finally combining 160 W modules will give up to 300 W output power. Several more modules can be combined to achieve even high power levels. Present paper describes the developmental efforts of 300 W S-band solid-state amplifiers and related microwave technologies. (author)

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

Science.gov (United States)

Kittell, Aaron W.; Hyde, James S.

2015-01-01

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

Accurate nonadiabatic quantum dynamics on the cheap: Making the most of mean field theory with master equations

Energy Technology Data Exchange (ETDEWEB)

Kelly, Aaron; Markland, Thomas E., E-mail: tmarkland@stanford.edu [Department of Chemistry, Stanford University, Stanford, California 94305 (United States); Brackbill, Nora [Department of Physics, Stanford University, Stanford, California 94305 (United States)

2015-03-07

In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations.

Science.gov (United States)

Kelly, Aaron; Brackbill, Nora; Markland, Thomas E

2015-03-07

In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

Modeling of the electron distribution based on bremsstrahlung emission during lower hybrid current drive on PLT

Energy Technology Data Exchange (ETDEWEB)

Stevens, J.E.; von Goeler, S.; Bernabei, S.; Bitter, M.; Chu, T.K.; Efthimion, P.; Fisch, N.; Hooke, W.; Hosea, J.; Jobes, F.

1985-03-01

Lower hybrid current drive requires the generation of a high energy electron tail anisotropic in velocity. Measurements of bremsstrahlung emission produced by this tail are compared with the calculated emission from reasonable model distributions. The physical basis and the sensitivity of this modeling process are described and the plasma properties of current driven discharges which can be derived from the model are discussed.

Modeling of the electron distribution based on bremsstrahlung emission during lower hybrid current drive on PLT

International Nuclear Information System (INIS)

Stevens, J.E.; von Goeler, S.; Bernabei, S.

1985-03-01

Lower hybrid current drive requires the generation of a high energy electron tail anisotropic in velocity. Measurements of bremsstrahlung emission produced by this tail are compared with the calculated emission from reasonable model distributions. The physical basis and the sensitivity of this modeling process are described and the plasma properties of current driven discharges which can be derived from the model are discussed

Nonadiabatic charged spherical evolution in the postquasistatic approximation

International Nuclear Information System (INIS)

Rosales, L.; Barreto, W.; Peralta, C.; Rodriguez-Mueller, B.

2010-01-01

We apply the postquasistatic approximation, an iterative method for the evolution of self-gravitating spheres of matter, to study the evolution of dissipative and electrically charged distributions in general relativity. The numerical implementation of our approach leads to a solver which is globally second-order convergent. We evolve nonadiabatic distributions assuming an equation of state that accounts for the anisotropy induced by the electric charge. Dissipation is described by streaming-out or diffusion approximations. We match the interior solution, in noncomoving coordinates, with the Vaidya-Reissner-Nordstroem exterior solution. Two models are considered: (i) a Schwarzschild-like shell in the diffusion limit; and (ii) a Schwarzschild-like interior in the free-streaming limit. These toy models tell us something about the nature of the dissipative and electrically charged collapse. Diffusion stabilizes the gravitational collapse producing a spherical shell whose contraction is halted in a short characteristic hydrodynamic time. The streaming-out radiation provides a more efficient mechanism for emission of energy, redistributing the electric charge on the whole sphere, while the distribution collapses indefinitely with a longer hydrodynamic time scale.

Generalization of the geometric optical series approach for nonadiabatic scattering problems

International Nuclear Information System (INIS)

Herman, M.F.

1982-01-01

The geometric optical series approach of Bremmer is generalized for multisurface nonadiabatic scattering problems. This method yields the formal solution of the Schroedinger equation as an infinite series of multiple integrals. The zeroth order term corresponds to WKB propagation on a single adiabatic surface, while the general Nth order term involves N reflections and/or transitions between surfaces accompanied by ''free,'' single surface semiclassical propagation between the points of reflection and transition. Each term is integrated over all possible transition and reflection points. The adiabatic and diabatic limits of this expression are discussed. Numerical results, in which all reflections are ignored, are presented for curve crossing and noncrossing problems. These results are compared to exact quantum results and are shown to be highly accurate

Quantum transition probabilities during a perturbing pulse: Differences between the nonadiabatic results and Fermi's golden rule forms

Science.gov (United States)

Mandal, Anirban; Hunt, Katharine L. C.

2018-05-01

For a perturbed quantum system initially in the ground state, the coefficient ck(t) of excited state k in the time-dependent wave function separates into adiabatic and nonadiabatic terms. The adiabatic term ak(t) accounts for the adjustment of the original ground state to form the new ground state of the instantaneous Hamiltonian H(t), by incorporating excited states of the unperturbed Hamiltonian H0 without transitions; ak(t) follows the adiabatic theorem of Born and Fock. The nonadiabatic term bk(t) describes excitation into another quantum state k; bk(t) is obtained as an integral containing the time derivative of the perturbation. The true transition probability is given by |bk(t)|2, as first stated by Landau and Lifshitz. In this work, we contrast |bk(t)|2 and |ck(t)|2. The latter is the norm-square of the entire excited-state coefficient which is used for the transition probability within Fermi's golden rule. Calculations are performed for a perturbing pulse consisting of a cosine or sine wave in a Gaussian envelope. When the transition frequency ωk0 is on resonance with the frequency ω of the cosine wave, |bk(t)|2 and |ck(t)|2 rise almost monotonically to the same final value; the two are intertwined, but they are out of phase with each other. Off resonance (when ωk0 ≠ ω), |bk(t)|2 and |ck(t)|2 differ significantly during the pulse. They oscillate out of phase and reach different maxima but then fall off to equal final values after the pulse has ended, when ak(t) ≡ 0. If ωk0 ω. While the transition probability is rising, the midpoints between successive maxima and minima fit Gaussian functions of the form a exp[-b(t - d)2]. To our knowledge, this is the first analysis of nonadiabatic transition probabilities during a perturbing pulse.

A Multi-Pulse Front-End Rectifier System with Electronic Phase-Shifting for Harmonic Mitigation in Motor Drive Applications

DEFF Research Database (Denmark)

Zare, Firuz; Davari, Pooya; Blaabjerg, Frede

2016-01-01

In this paper, an electronic phase-shifting strategy has been optimized for a multi-parallel configuration of line-commutated rectifiers with a common dc-bus voltage used in motor drive application. This feature makes the performance of the system independent of the load profile and maximizes its...

Nonradiative electron and energy transfer. Explicit estimation of the influence of coherent and dephasing processes in a vibrational bath on electronic dynamics

Czech Academy of Sciences Publication Activity Database

Menšík, Miroslav; Král, Karel

2009-01-01

Roč. 27, č. 3 (2009), s. 671-684 ISSN 0137-1339. [International Conference on Electrical and Related Properties of Organic Solids /11./. Piechowice, 13.07.2008-17.07.2008] R&D Projects: GA AV ČR KAN401770651; GA ČR GA202/07/0643 Institutional research plan: CEZ:AV0Z40500505; CEZ:AV0Z10100520 Keywords : electron-vibrational interaction * non-adiabatic coupling * resonant energy transfer Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.384, year: 2009

Advanced electron cyclotron heating and current drive experiments on the stellarator Wendelstein 7-X

Directory of Open Access Journals (Sweden)

Stange Torsten

2017-01-01

Full Text Available During the first operational phase (OP 1.1 of Wendelstein 7-X (W7-X electron cyclotron resonance heating (ECRH was the exclusive heating method and provided plasma start-up, wall conditioning, heating and current drive. Six gyrotrons were commissioned for OP1.1 and used in parallel for plasma operation with a power of up to 4.3 MW. During standard X2-heating the spatially localized power deposition with high power density allowed controlling the radial profiles of the electron temperature and the rotational transform. Even though W7-X was not fully equipped with first wall tiles and operated with a graphite limiter instead of a divertor, electron densities of n e > 3·1019 m-3 could be achieved at electron temperatures of several keV and ion temperatures above 2 keV. These plasma parameters allowed the first demonstration of a multipath O2-heating scenario, which is envisaged for safe operation near the X-cutoff-density of 1.2·1020 m-3 after full commissioning of the ECRH system in the next operation phase OP1.2.

Coupled ion temperature gradient and trapped electron mode to electron temperature gradient mode gyrokinetic simulations

International Nuclear Information System (INIS)

Waltz, R. E.; Candy, J.; Fahey, M.

2007-01-01

Electron temperature gradient (ETG) transport is conventionally defined as the electron energy transport at high wave number (high-k) where ions are adiabatic and there can be no ion energy or plasma transport. Previous gyrokinetic simulations have assumed adiabatic ions (ETG-ai) and work on the small electron gyroradius scale. However such ETG-ai simulations with trapped electrons often do not have well behaved nonlinear saturation unless fully kinetic ions (ki) and proper ion scale zonal flow modes are included. Electron energy transport is separated into ETG-ki at high-k and ion temperature gradient-trapped electron mode (ITG/TEM) at low-k. Expensive (more computer-intensive), high-resolution, large-ion-scale flux-tube simulations coupling ITG/TEM and ETG-ki turbulence are presented. These require a high effective Reynolds number R≡[k(max)/k(min)] 2 =μ 2 , where μ=[ρ si /ρ si ] is the ratio of ion to electron gyroradii. Compute times scale faster than μ 3 . By comparing the coupled expensive simulations with (1) much cheaper (less compute-intensive), uncoupled, high-resolution, small, flux-tube ETG-ki and with (2) uncoupled low-resolution, large, flux-tube ITG/TEM simulations, and also by artificially turning ''off'' the low-k or high-k drives, it appears that ITG/TEM and ETG-ki transport are not strongly coupled so long as ETG-ki can access some nonadiabatic ion scale zonal flows and both high-k and low-k are linearly unstable. However expensive coupled simulations are required for physically accurate k-spectra of the transport and turbulence. Simulations with μ≥30 appear to represent the physical range μ>40. ETG-ki transport measured in ion gyro-Bohm units is weakly dependent on μ. For the mid-radius core tokamak plasma parameters studied, ETG-ki is about 10% of the electron energy transport, which in turn is about 30% of the total energy transport (with negligible ExB shear). However at large ExB shear sufficient to quench the low-k ITG

Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH( X ˜ / A ˜ ) products in the B-band photodissociation of H2O

Science.gov (United States)

Zhou, Linsen; Xie, Daiqian; Guo, Hua

2015-03-01

A detailed quantum mechanical characterization of the photodissociation dynamics of H2O at 121.6 nm is presented. The calculations were performed using a full-dimensional wave packet method on coupled potential energy surfaces of all relevant electronic states. Our state-to-state model permits a detailed analysis of the OH( X ˜ / A ˜ ) product fine-structure populations as a probe of the non-adiabatic dissociation dynamics. The calculated rotational state distributions of the two Λ-doublet levels of OH( X ˜ , v = 0) exhibit very different characteristics. The A' states, produced mostly via the B ˜ → X ˜ conical intersection pathway, have significantly higher populations than the A″ counterparts, which are primarily from the B ˜ → A ˜ Renner-Teller pathway. The former features a highly inverted and oscillatory rotational state distribution, while the latter has a smooth distribution with much less rotational excitation. In good agreement with experiment, the calculated total OH( X ˜ ) rotational state distribution and anisotropy parameters show clear even-odd oscillations, which can be attributed to a quantum mechanical interference between waves emanating from the HOH and HHO conical intersections in the B ˜ → X ˜ non-adiabatic pathway. On the other hand, the experiment-theory agreement for the OH( A ˜ ) fragment is also satisfactory, although some small quantitative differences suggest remaining imperfections of the ab initio based potential energy surfaces.

Electron cyclotron heating and current drive approach for low-temperature startup plasmas using O-X-EBW mode conversion

International Nuclear Information System (INIS)

Batchelor, D.B.; Bigelow, T.S.

1997-01-01

A mechanism for heating and driving currents in very overdense plasmas is considered based on a double-mode conversion: Ordinary mode to Extraordinary mode to electron Bernstein wave. The possibility of using this mechanism for plasma buildup and current ramp in the National Spherical Torus Experiment is investigated

Fast wave current drive

International Nuclear Information System (INIS)

Goree, J.; Ono, M.; Colestock, P.; Horton, R.; McNeill, D.; Park, H.

1985-07-01

Fast wave current drive is demonstrated in the Princeton ACT-I toroidal device. The fast Alfven wave, in the range of high ion-cyclotron harmonics, produced 40 A of current from 1 kW of rf power coupled into the plasma by fast wave loop antenna. This wave excites a steady current by damping on the energetic tail of the electron distribution function in the same way as lower-hybrid current drive, except that fast wave current drive is appropriate for higher plasma densities

Synergy in RF Current Drive

International Nuclear Information System (INIS)

Dumont, R.J.; Giruzzi, G.

2005-01-01

Auxiliary methods for efficient non-inductive current drive in tokamaks generally involve the interaction of externally driven waves with superthermal electrons. Among the possible schemes, Lower Hybrid (LH) and Electron Cyclotron (EC) current drive have been so far the most successful. An interesting aspect of their combined use is the fact that since they involve possibly overlapping domains in velocity and configuration spaces, a synergy between them is expected for appropriate parameters. The signature of this effect, significant improvement of the EC current drive efficiency, results from a favorable interplay of the quasilinear diffusions induced by both waves. Recently, improvements of the EC current drive efficiency in the range of 2-4 have been measured in fully non-inductive discharges in the Tore Supra tokamak, providing the first clear evidence of this effect in steady-state conditions. We present here the experimental aspects of these discharges. The associated kinetic modeling and current state of understanding of the LH-EC synergy phenomenon are also discussed. (authors)

Synergy in RF Current Drive

International Nuclear Information System (INIS)

Dumont, R.J.; Giruzzi, G.

2005-01-01

Auxiliary methods for efficient non-inductive current drive in tokamaks generally involve the interaction of externally driven waves with superthermal electrons. Among the possible schemes, Lower Hybrid (LH) and Electron Cyclotron (EC) current drive have been so far the most successful. An interesting aspect of their combined use is the fact that since they involve possibly overlapping domains in velocity and configuration spaces, a synergy between them is expected for appropriate parameters. The signature of this effect, significant improvement of the EC current drive efficiency, results from a favorable interplay of the quasilinear diffusions induced by both waves. Recently, improvements of the EC current drive efficiency in the range of 2-4 have been measured in fully non-inductive discharges in the Tore Supra tokamak, providing the first clear evidence of this effect in steady-state conditions. We present here the experimental aspects of these discharges. The associated kinetic modeling and current state of understanding of the LH-EC synergy phenomenon are also discussed

Combined RF current drive and bootstrap current in tokamaks

International Nuclear Information System (INIS)

Schultz, S. D.; Bers, A.; Ram, A. K.

1999-01-01

By calculating radio frequency current drive (RFCD) and the bootstrap current in a consistent kinetic manner, we find synergistic effects in the total noninductive current density in tokamaks [1]. We include quasilinear diffusion in the Drift Kinetic Equation (DKE) in order to generalize neoclassical theory to highly non-Maxwellian electron distributions due to RFCD. The parallel plasma current is evaluated numerically with the help of the FASTEP Fokker-Planck code [2]. Current drive efficiency is found to be significantly affected by neoclassical effects, even in cases where only circulating electrons interact with the waves. Predictions of the current drive efficiency are made for lower hybrid and electron cyclotron wave current drive scenarios in the presence of bootstrap current

Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization

Directory of Open Access Journals (Sweden)

Zheng Li

2016-07-01

Full Text Available The ultrafast nuclear and electronic dynamics of protonated water clusters H+(H2On after extreme ultraviolet photoionization is investigated. In particular, we focus on cluster cations with n = 3, 6, and 21. Upon ionization, two positive charges are present in the cluster related to the excess proton and the missing electron, respectively. A correlation is found between the cluster's geometrical conformation and initial electronic energy with the size of the final fragments produced. For situations in which the electron hole and proton are initially spatially close, the two entities become correlated and separate in a time-scale of 20 to 40 fs driven by strong non-adiabatic effects.

Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization

Science.gov (United States)

Li, Zheng; Vendrell, Oriol

2016-01-01

The ultrafast nuclear and electronic dynamics of protonated water clusters H+(H2O)n after extreme ultraviolet photoionization is investigated. In particular, we focus on cluster cations with n = 3, 6, and 21. Upon ionization, two positive charges are present in the cluster related to the excess proton and the missing electron, respectively. A correlation is found between the cluster's geometrical conformation and initial electronic energy with the size of the final fragments produced. For situations in which the electron hole and proton are initially spatially close, the two entities become correlated and separate in a time-scale of 20 to 40 fs driven by strong non-adiabatic effects. PMID:26798842

Q-profile evolution and improved core electron confinement in the full current drive operation on Tore Supra

International Nuclear Information System (INIS)

Litaudon, X.; Peysson, Y.; Aniel, T.; Huysmans, G.; Imbeaux, F.; Joffrin, E.; Lasalle, J.; Lotte, Ph.; Schunke, B.; Segui, J.; Tresset, G.; Zabiego, M.

2000-12-01

The formation of a core region with improved electron confinement is reported in the recent full current drive operation of Tore Supra where the plasma current is sustained with the Lower Hybrid, LH, wave. Current profile evolution and thermal electron transport coefficients are directly assessed using the data of the new fast electron Bremsstrahlung tomography that provides the most accurate determination of the LH current and power deposition profiles. The spontaneous rise of the core electron temperature observed a few seconds after the application of the LH power is ascribed to a bifurcation towards a state of reduced electron transport. The role of the magnetic shear is invoked to partly stabilize the anomalous electron turbulence. The electron temperature transition occurs when the q-profile evolves towards a non-inductive state with a non-monotonic shape i.e. when the magnetic shear is reduced close to zero in the plasma core. The improved core confinement phase is often terminated by a sudden MHD activity when the minimum q approaches two. (authors)

Measurement of current drive profile using electron cyclotron wave attenuation near the O-mode cut-off

International Nuclear Information System (INIS)

Fidone, I.

1991-01-01

A method for determining the radial profile of the lower-hybrid current drive in tokamaks uing electron-cyclotron attenuation of the O-mode for frequencies ω near the cut-off frequency is discussed. The basic idea is that for a given wave frequency, the cut-off plays the role of a spatial filter selecting a variable portion of the non-inductive current. It is shown that the incremental attenuation resulting from a small increase of ω displays specific features related to the current density near the cut-off point. Using the relation between the wave damping and the current density it is possible to determine the radial profile of the current drive from the wave attenuation measurements. A numerical application is also presented for plasma parameters in the reactor regime

Non-adiabatic effects in the electron and phonon spectra of a Peierls insulator

International Nuclear Information System (INIS)

Dzyub, I.P.; Zerov, Yu.E.

1989-08-01

The phonon and electron spectra of the discrete version of the Su, Schrieffer and Heeger model are calculated taking into account the polarization effects. It is shown that there exists a finite probability of electron states relaxation even at zero temperature. (author). 5 refs, 1 fig

Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes

Science.gov (United States)

Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki; Maitra, Neepa T.

2017-12-01

We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are completely missed by adiabatic approximations that, consequently, significantly underestimate the scattering probability. A recently proposed nonadiabatic approximation is shown to correctly capture the approach of the electron to the target when the initial Kohn-Sham state is chosen judiciously, and it is more accurate than standard adiabatic functionals but ultimately fails to accurately capture reflection. These results may explain the underestimation of scattering probabilities in some recent studies on molecules and surfaces.

Non-adiabatic description of proton emission from the odd-odd nucleus 130Eu

Directory of Open Access Journals (Sweden)

Patial Monika

2014-03-01

Full Text Available We discuss the non-adiabatic quasiparticle approach for calculating the rotational spectra and decay width of odd-odd proton emitters. The Coriolis effects are incorporated in both the parent and daughter wave functions. Results for the two probable ground states (1+ and 2+ of the proton emitter 130Eu are discussed. With our calculations, we confirm the proton emitting state to be the Iπ = 1+ state, irrespective of the strength of the Coriolis interaction. This study provides us with an opportunity to look into the details of wave functions of deformed odd-odd nuclei to which the proton emission halflives are quite sensitive.

Determining partial differential cross sections for low-energy electron photodetachment involving conical intersections using the solution of a Lippmann-Schwinger equation constructed with standard electronic structure techniques.

Science.gov (United States)

Han, Seungsuk; Yarkony, David R

2011-05-07

A method for obtaining partial differential cross sections for low energy electron photodetachment in which the electronic states of the residual molecule are strongly coupled by conical intersections is reported. The method is based on the iterative solution to a Lippmann-Schwinger equation, using a zeroth order Hamiltonian consisting of the bound nonadiabatically coupled residual molecule and a free electron. The solution to the Lippmann-Schwinger equation involves only standard electronic structure techniques and a standard three-dimensional free particle Green's function quadrature for which fast techniques exist. The transition dipole moment for electron photodetachment, is a sum of matrix elements each involving one nonorthogonal orbital obtained from the solution to the Lippmann-Schwinger equation. An expression for the electron photodetachment transition dipole matrix element in terms of Dyson orbitals, which does not make the usual orthogonality assumptions, is derived.

Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH(X{sup ~}/A{sup ~}) products in the B-band photodissociation of H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Zhou, Linsen [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Xie, Daiqian, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Guo, Hua, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

2015-03-28

A detailed quantum mechanical characterization of the photodissociation dynamics of H{sub 2}O at 121.6 nm is presented. The calculations were performed using a full-dimensional wave packet method on coupled potential energy surfaces of all relevant electronic states. Our state-to-state model permits a detailed analysis of the OH(X{sup ~}/A{sup ~}) product fine-structure populations as a probe of the non-adiabatic dissociation dynamics. The calculated rotational state distributions of the two Λ-doublet levels of OH(X{sup ~}, v = 0) exhibit very different characteristics. The A′ states, produced mostly via the B{sup ~}→X{sup ~} conical intersection pathway, have significantly higher populations than the A″ counterparts, which are primarily from the B{sup ~}→A{sup ~} Renner-Teller pathway. The former features a highly inverted and oscillatory rotational state distribution, while the latter has a smooth distribution with much less rotational excitation. In good agreement with experiment, the calculated total OH(X{sup ~}) rotational state distribution and anisotropy parameters show clear even-odd oscillations, which can be attributed to a quantum mechanical interference between waves emanating from the HOH and HHO conical intersections in the B{sup ~}→X{sup ~} non-adiabatic pathway. On the other hand, the experiment-theory agreement for the OH(A{sup ~}) fragment is also satisfactory, although some small quantitative differences suggest remaining imperfections of the ab initio based potential energy surfaces.

Correspondence between Simulator and On-Road Drive Performance: Implications for Assessment of Driving Safety.

Science.gov (United States)

Aksan, Nazan; Hacker, Sarah D; Sager, Lauren; Dawson, Jeffrey; Anderson, Steven; Rizzo, Matthew

2016-03-01

Forty-two younger (Mean age = 35) and 37 older drivers (Mean age = 77) completed four similar simulated drives. In addition, 32 younger and 30 older drivers completed a standard on-road drive in an instrumented vehicle. Performance in the simulated drives was evaluated using both electronic drive data and video-review of errors. Safety errors during the on-road drive were evaluated by a certified driving instructor blind to simulator performance, using state Department of Transportation criteria. We examined the degree of convergence in performance across the two platforms on various driving tasks including lane change, lane keeping, speed control, stopping, turns, and overall performance. Differences based on age group indicated a pattern of strong relative validity for simulator measures. However, relative rank-order in specific metrics of performance suggested a pattern of moderate relative validity. The findings have implications for the use of simulators in assessments of driving safety as well as its use in training and/or rehabilitation settings.

The targeted heating and current drive applications for the ITER electron cyclotron system

Energy Technology Data Exchange (ETDEWEB)

Henderson, M.; Darbos, C.; Gandini, F.; Gassmann, T.; Loarte, A.; Omori, T.; Purohit, D. [ITER Organization, Route de Vinon-sur-Verdon, CS 90 046, 13067 St. Paul Lez Durance Cedex (France); Saibene, G.; Gagliardi, M. [Fusion for Energy, Josep Pla 2, Barcelona 08019 (Spain); Farina, D.; Figini, L. [Istituto di Fisica del Plasma CNR, 20125 Milano (Italy); Hanson, G. [US ITER Project Office, ORNL, 1055 Commerce Park, PO Box 2008, Oak Ridge, Tennessee 37831 (United States); Poli, E. [Max-Planck-Institut für Plasmaphysik, D-85748 Garching (Germany); Takahashi, K. [Japan Atomic Energy Agency (JAEA), Naka, Ibaraki 311-0193 (Japan)

2015-02-15

A 24 MW Electron Cyclotron (EC) system operating at 170 GHz and 3600 s pulse length is to be installed on ITER. The EC plant shall deliver 20 MW of this power to the plasma for Heating and Current Drive (H and CD) applications. The EC system is designed for plasma initiation, central heating, current drive, current profile tailoring, and Magneto-hydrodynamic control (in particular, sawteeth and Neo-classical Tearing Mode) in the flat-top phase of the plasma. A preliminary design review was performed in 2012, which identified a need for extended application of the EC system to the plasma ramp-up, flattop, and ramp down phases of ITER plasma pulse. The various functionalities are prioritized based on those applications, which can be uniquely addressed with the EC system in contrast to other H and CD systems. An initial attempt has been developed at prioritizing the allocated H and CD applications for the three scenarios envisioned: ELMy H-mode (15 MA), Hybrid (∼12 MA), and Advanced (∼9 MA) scenarios. This leads to the finalization of the design requirements for the EC sub-systems.

Investigation of runaway electrons in the current ramp-up by a fully non-inductive lower hybrid current drive on the EAST tokamak

International Nuclear Information System (INIS)

Lu, H W; Zha, X J; Zhong, F C; Hu, L Q; Zhou, R J

2013-01-01

The possibility of using a lower hybrid wave (LHW) to ramp up the plasma current (I p ) from a low level to a high enough level required for fusion burn in the EAST (experimental advanced superconducting tokamak) tokamak is examined experimentally. The focus in this paper is on investigating how the relevant plasma parameters evolve during the current ramp-up (CRU) phase driving by a lower hybrid current drive (LHCD) with poloidal field (PF) coil cut-off, especially the behaviors of runaway electrons generated during the CRU phase. It is found that the intensity of runaway electron emission increases first, and then decreases gradually as the discharge goes on under conditions of PF coil cut-off before LHW was launched into plasma, PF coil cut-off at the same time as LHW was launched into plasma, as well as PF coil cut-off after LHW was launched into plasma. The relevant plasma parameters, including H α line emission (Ha), impurity line emission (UV), soft x-ray emission and electron density n e , increase to a high level. The loop voltage decreases from positive to negative, and then becomes zero because of the cut-off of PF coils. Also, the magnetohydrodynamic activity takes place during the CRU driving by LHCD. (paper)

DC drive system for cine/pulse cameras

Science.gov (United States)

Gerlach, R. H.; Sharpsteen, J. T.; Solheim, C. D.; Stoap, L. J.

1977-01-01

Camera-drive functions are separated mechanically into two groups which are driven by two separate dc brushless motors. First motor, a 90 deg stepper, drives rotating shutter; second electronically commutated motor drives claw and film transport. Shutter is made of one piece but has two openings for slow and fast exposures.

Linear step drive

International Nuclear Information System (INIS)

Haniger, L.; Elger, R.; Kocandrle, L.; Zdebor, J.

1986-01-01

A linear step drive is described developed in Czechoslovak-Soviet cooperation and intended for driving WWER-1000 control rods. The functional principle is explained of the motor and the mechanical and electrical parts of the drive, power control, and the indicator of position are described. The motor has latches situated in the reactor at a distance of 3 m from magnetic armatures, it has a low structural height above the reactor cover, which suggests its suitability for seismic localities. Its magnetic circuits use counterpoles; the mechanical shocks at the completion of each step are damped using special design features. The position indicator is of a special design and evaluates motor position within ±1% of total travel. A drive diagram and the flow chart of both the control electronics and the position indicator are presented. (author) 4 figs

COMPLETE SUPPRESSION OF THE m=2/n-1 NEOCLASSICAL TEARING MODE USING ELECTRON CYCLOTRON CURRENT DRIVE ON DIII-D

International Nuclear Information System (INIS)

PETTY, CC; LAHAYE, LA; LUCE, TC; HUMPHREYS, DA; HYATT, AW; PRATER, R; STRAIT, EJ; WADE, MR

2003-01-01

A271 COMPLETE SUPPRESSION OF THE M=2/N-1 NEOCLASSICAL TEARING MODE USING ELECTRON CYCLOTRON CURRENT DRIVE ON DIII-D. The first suppression of the important and deleterious m=2/n=1 neoclassical tearing mode (NTM) is reported using electron cyclotron current drive (ECCD) to replace the ''missing'' bootstrap current in the island O-point. Experiments on the DIII-D tokamak verify the maximum shrinkage of the m=2/n=1 island occurs when the ECCD location coincides with the q = 2 surface. The DIII-D plasma control system is put into search and suppress mode to make small changes in the toroidal field to find and lock onto the optimum position, based on real time measurements of dB θ /dt, for complete m=2/n=1 NTM suppression by ECCD. The requirements on the ECCD for complete island suppression are well modeled by the modified Rutherford equation for the DIII-D plasma conditions

Adiabatic and non-adiabatic electron oscillations in a static electric field

International Nuclear Information System (INIS)

Wahlberg, C.

1977-03-01

The influence of a static electric field on the oscillations of a one-dimensional stream of electrons is investigated. In the weak field limit the oscillations are adiabatic and mode coupling negligible, but becomes significant if the field is tronger. The latter effect is believed to be of importance for the stability of e.g. potential double layers

Electron cyclotron heating and current drive: Present experiments to ITER. Revision 1

International Nuclear Information System (INIS)

Harvey, R.W.; Nevins, W.M.; Smith, G.R.; Lloyd, B.; O'Brien, M.R.; Warrick, C.D.

1995-08-01

Electron cyclotron (EC) power has technological and physics advantages for heating and current drive in a tokamak reactor, and advances in source development make it credible for applications in ITER. Strong single pass absorption makes heating to ignition particularly simple. The optimized EC current drive (ECCD) efficiency (left-angle n right-angle IR/P) shows a linear temperature scaling at temperatures up to ∼ 15 keV. For temperatures above 30 keV, the efficiency saturates at approximately 0.3·10 20 A/(m 2 W) for a frequency of 220 GHz in an ITER target plasma with toroidal field of 6 T, due primarily to harmonic overlap [G.R. Smith et al., Phys. Fluids 30 3633 (1987)] and to a lesser extent due to limitations arising from relativistic effects [N.J. Fisch, Phys. Rev. A 24 3245 (1981)]. The same efficiency can also be obtained at 170 GHz for the same plasma equilibrium except that the magnetic field is reduced to (170/220) x 6 T = 4.6 T. The ECCD efficiencies are obtained with the comprehensive 3D, bounce-averaged Fokker-Planck CQL3D codes [R.W. Harvey and M.G. McCoy, Proc. IAEA TCM/Advances in Simulation and Modeling in Thermonuclear Plasmas 1992, Montreal], and BANDIT3D [M.R. O'Brien, M. Cox, C.D. Warrick, and F. S. Zaitsev, ibid.

Flow of CO2 ethanol and of CO2 methanol in a non-adiabatic microfluidic T-junction at high pressures

NARCIS (Netherlands)

Blanch Ojea, R.; Tiggelaar, Roald M.; Pallares, J.; Grau, F.X.; Gardeniers, Johannes G.E.

2012-01-01

In this work, an experimental investigation of the single- and multiphase flows of two sets of fluids, CO2–ethanol and CO2–methanol, in a non-adiabatic microfluidic T-junction is presented. The operating conditions ranged from 7 to 18 MPa, and from 294 to 474 K. The feed mass fraction of CO2 in the

Nonadiabatic heating of the central plasma sheet at substorm onset

International Nuclear Information System (INIS)

Huang, C.Y.; Frank, L.A.; Rostoker, G.; Fennell, J.; Mitchell, D.G.

1992-01-01

Heating events in the plasma sheet boundary layer and central plasma sheet are found to occur at the onset of expansive phase activity. The main effect is a dramatic increase in plasma temperature, coincident with a partial dipolarization of the magnetic field. Fluxes of energetic particles increase without dispersion during these events which occur at all radial distances up to 23 R E , the apogee of the ISEIE spacecraft. A major difference between these heating events and those observed at geosynchronous distances lies in the heating mechanism which is nonadiabatic beyond 10 R E but may be adiabatic closer to Earth. The energy required to account for the increase in plasma thermal energy is comparable with that required for Joule heating of the ionosphere. The plasma sheet must be considered as a major sink in the energy balance of substorm. The authors estimate lobe magnetic pressures during these events. Changes in lobe pressure are generally not correlated with onsets or intensifications of expansive phase activity

Comparison between the electron cyclotron current drive experiments on DIII-D and predictions for T-10

International Nuclear Information System (INIS)

Lohr, J.; Harvey, R.W.; Luce, T.C.; Matsuda, Kyoko; Moeller, C.P.; Petty, C.C.; Prater, R.; James, R.A.; Giruzzi, G.; Gorelov, Y.; DeHaas, J.

1990-11-01

Electron cyclotron current drive has been demonstrated on the DIII-D tokamak in an experiment in which ∼1 MW of microwave power generated ∼50 kA of non-inductive current. The rf-generated portion was about 15% of the total current. On the T-10 tokamak, more than 3 MW of microwave power will be available for current generation, providing the possibility that all the plasma current could be maintained by this method. Fokker-Planck calculations using the code CQL3D and ray tracing calculations using TORAY have been performed to model both experiments. For DIII-D the agreement between the calculations and measurements is good, producing confidence in the validity of the computational models. The same calculations using the T-10 geometry predict that for n e (0) ∼ 1.8 x 10 13 cm -3 , and T e (0) ∼ 7 keV, 1.2 MW, that is, the power available from only three gyrotrons, could generate as much as 150 kA of non-inductive current. Parameter space scans in which temperature, density and resonance location were varied have been performed to indicate the current drive expected under different experimental conditions. The residual dc electric field was considered in the DIII-D analysis because of its nonlinear effect on the electron distribution, which complicates the interpretation of the results. A 110 GHz ECH system is being installed on DIII-D. Initial operations, planned for late 1991, will use four gyrotrons with 500 kW each and 10 second output pulses. Injection will be from the low field side from launchers which can be steered to heat at the desired location. These launchers, two of which are presently installed, are set at 20 degrees to the radial and rf current drive studies are planned for the initial operation. 8 refs., 10 figs

Charge Exchange in Low-Energy H, D + C4+ Collisions with Full Account of Electron Translation

Directory of Open Access Journals (Sweden)

N. Vaeck

2002-03-01

Full Text Available We report the application of the quantum approach, which takes full account of electron translation at low collisional energies, to the charge exchange process H, D + C4+ → H+, D+ + C3+(3s; 3p; 3d. The partial and the total integral cross sections of the process are calculated in the energy range from 1 till 60 eV/amu. It is shown that the present results are independent from the upper integration limit for numerical solution of the coupled channel equations although nonadiabatic couplings remain nonzero up to infinity. The calculated partial and total cross sections are in agreement with the previous low-energy calculations and the available experimental data. It is shown that for low collisional energies the isotopic effect takes place. The observed effect is explained in terms of the nonadiabatic dynamics.

Oblique electron-cyclotron-emission radial and phase detector of rotating magnetic islands applied to alignment and modulation of electron-cyclotron-current-drive for neoclassical tearing mode stabilization

International Nuclear Information System (INIS)

Volpe, F.; Austin, M. E.; Campbell, G.; Deterly, T.

2012-01-01

A two channel oblique electron cyclotron emission (ECE) radiometer was installed on the DIII-D tokamak and interfaced to four gyrotrons. Oblique ECE was used to toroidally and radially localize rotating magnetic islands and so assist their electron cyclotron current drive (ECCD) stabilization. In particular, after manipulations operated by the interfacing analogue circuit, the oblique ECE signals directly modulated the current drive in synch with the island rotation and in phase with the island O-point, for a more efficient stabilization. Apart from the different toroidal location, the diagnostic view is identical to the ECCD launch direction, which greatly simplified the real-time use of the signals. In fact, a simple toroidal extrapolation was sufficient to lock the modulation to the O-point phase. This was accomplished by a specially designed phase shifter of nearly flat response over the 1–7 kHz range. Moreover, correlation analysis of two channels slightly above and below the ECCD frequency allowed checking the radial alignment to the island, based on the fact that for satisfactory alignment the two signals are out of phase.

Modulated Current Drive Measurements

International Nuclear Information System (INIS)

Petty, C.C.; Lohr, J.; Luce, T.C.; Prater, R.; Cox, W.A.; Forest, C.B.; Jayakumar, R.J.; Makowski, M.A.

2005-01-01

A new measurement approach is presented which directly determines the noninductive current profile from the periodic response of the motional Stark effect (MSE) signals to the slow modulation of the external current drive source. A Fourier transform of the poloidal magnetic flux diffusion equation is used to analyze the MSE data. An example of this measurement technique is shown using modulated electron cyclotron current drive (ECCD) discharges from the DIII-D tokamak

Electron beam solenoid reactor concept

International Nuclear Information System (INIS)

Bailey, V.; Benford, J.; Cooper, R.; Dakin, D.; Ecker, B.; Lopez, O.; Putman, S.; Young, T.S.T.

1977-01-01

The electron Beam Heated Solenoid (EBHS) reactor is a linear magnetically confined fusion device in which the bulk or all of the heating is provided by a relativistic electron beam (REB). The high efficiency and established technology of the REB generator and the ability to vary the coupling length make this heating technique compatible with several radial and axial enery loss reduction options including multiple-mirrors, electrostatic and gas end-plug techniques. This paper addresses several of the fundamental technical issues and provides a current evaluation of the concept. The enhanced confinement of the high energy plasma ions due to nonadiabatic scattering in the multiple mirror geometry indicates the possibility of reactors of the 150 to 300 meter length operating at temperatures > 10 keV. A 275 meter EBHS reactor with a plasma Q of 11.3 requiring 33 MJ of beam eneergy is presented

Effect of Nonlocal Electron Transport in Both Directions on the Symmetry of Polar-Drive--Ignition Targets

Science.gov (United States)

Delettrez, J. A.; Collins, T. J. B.; Shvydky, A.; Moses, G.; Cao, D.; Marinak, M. M.

2012-10-01

A nonlocal, multigroup diffusion model for thermal electron transportfootnotetextG. P. Schurtz, Ph. D. Nicola"i, and M. Busquet, Phys. Plasmas 7, 4238 (2000). has been added to the 2-D hydrodynamic code DRACO. This model has been applied to simulations of polar-drive (PD) NIF ignition designs. Previous simulations were carried out with a constant flux-limiter model in both the radial and transverse directions. Due to the nonsymmetry of PD illumination, these implosions suffer from low-mode nonuniformities that affect their performance. Nonlocal electron transport in both directions is expected to reduce these nonuniformities. The 2-D thermal electron flux from simulations, using either the nonlocal model or the standard flux-limited approach, will be compared and the effect of the nonlocal transport model on the growth of the nonuniformities and on target performance will be presented. This work was supported by the U.S. Department of Energy Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC52-08NA28302.

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

Science.gov (United States)

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.

Heating and current drive on NSTX

Science.gov (United States)

Wilson, J. R.; Batchelor, D.; Carter, M.; Hosea, J.; Ignat, D.; LeBlanc, B.; Majeski, R.; Ono, M.; Phillips, C. K.; Rogers, J. H.; Schilling, G.

1997-04-01

Low aspect ratio tokamaks pose interesting new challenges for heating and current drive. The NSTX (National Spherical Tokamak Experiment) device to be built at Princeton is a low aspect ratio toroidal device that has the achievement of high toroidal beta (˜45%) and non-inductive operation as two of its main research goals. To achieve these goals significant auxiliary heating and current drive systems are required. Present plans include ECH (Electron cyclotron heating) for pre-ionization and start-up assist, HHFW (high harmonic fast wave) for heating and current drive and eventually NBI (neutral beam injection) for heating, current drive and plasma rotation.

Induced photoemission from driven nonadiabatic dynamics in an avoided crossing system

Energy Technology Data Exchange (ETDEWEB)

Arasaki, Yasuki; Mizuno, Yuta; Takatsuka, Kazuo, E-mail: kaztak@mns2.c.u-tokyo.ac.jp [Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, 153-8902 Tokyo (Japan); Scheit, Simona [Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, 153-8902 Tokyo (Japan); Theoretische Chemie, Universität Heidelberg, Im Neuneheimer Feld 229, 69120 Heidelberg (Germany)

2014-12-21

When vibrational dynamics on an ionic state (large dipole moment) is coupled to that on a neutral state (small dipole moment) such as at an avoided crossing in the alkali halide system, the population transfer between the states cause oscillation of the molecular dipole, leading to dipole emission. Such dynamics may be driven by an external field. We study how the coupled wavepacket dynamics is affected by the parameters (intensity, frequency) of the driving field with the aim of making use of the photoemission as an alternative detection scheme of femtosecond and subfemtosecond vibrational and electronic dynamics or as a characteristic optical source.

Rotating magnetic field current drive-theory and experiment

International Nuclear Information System (INIS)

Donnelly, I.J.

1989-01-01

Rotating magnetic fields have been used to drive plasma current and establish a range of compact torus configurations, named rotamaks. The current drive mechanism involves a ponderomotive force acting on the electron fluid. Recent extensions of the theory indicate that this method is most suitable for driving currents in directions perpendicular to the steady magnetic fields

Efficiency trends in electric machines and drives

International Nuclear Information System (INIS)

Mecrow, B.C.; Jack, A.G.

2008-01-01

Almost all electricity in the UK is generated by rotating electrical generators, and approximately half of it is used to drive electrical motors. This means that efficiency improvements to electrical machines can have a very large impact on energy consumption. The key challenges to increased efficiency in systems driven by electrical machines lie in three areas: to extend the application of variable-speed electric drives into new areas through reduction of power electronic and control costs; to integrate the drive and the driven load to maximise system efficiency; and to increase the efficiency of the electrical drive itself. In the short to medium term, efficiency gains within electrical machines will result from the development of new materials and construction techniques. Approximately a quarter of new electrical machines are driven by variable-speed drives. These are a less mature product than electrical machines and should see larger efficiency gains over the next 50 years. Advances will occur, with new types of power electronic devices that reduce switching and conduction loss. With variable-speed drives, there is complete freedom to vary the speed of the driven load. Replacing fixed-speed machines with variable-speed drives for a high proportion of industrial loads could mean a 15-30% energy saving. This could save the UK 15 billion kWh of electricity per year which, when combined with motor and drive efficiency gains, would amount to a total annual saving of 24 billion kWh

Power Electronic Transformer based Three-Phase PWM AC Drives

Science.gov (United States)

Basu, Kaushik

A Transformer is used to provide galvanic isolation and to connect systems at different voltage levels. It is one of the largest and most expensive component in most of the high voltage and high power systems. Its size is inversely proportional to the operating frequency. The central idea behind a power electronic transformer (PET) also known as solid state transformer is to reduce the size of the transformer by increasing the frequency. Power electronic converters are used to change the frequency of operation. Steady reduction in the cost of the semiconductor switches and the advent of advanced magnetic materials with very low loss density and high saturation flux density implies economic viability and feasibility of a design with high power density. Application of PET is in generation of power from renewable energy sources, especially wind and solar. Other important application include grid tied inverters, UPS e.t.c. In this thesis non-resonant, single stage, bi-directional PET is considered. The main objective of this converter is to generate adjustable speed and magnitude pulse width modulated (PWM) ac waveforms from an ac or dc grid with a high frequency ac link. The windings of a high frequency transformer contains leakage inductance. Any switching transition of the power electronic converter connecting the inductive load and the transformer requires commutation of leakage energy. Commutation by passive means results in power loss, decrease in the frequency of operation, distortion in the output voltage waveform, reduction in reliability and power density. In this work a source based partially loss-less commutation of leakage energy has been proposed. This technique also results in partial soft-switching. A series of converters with novel PWM strategies have been proposed to minimize the frequency of leakage inductance commutation. These PETs achieve most of the important features of modern PWM ac drives including 1) Input power factor correction, 2) Common

Heating and current drive on NSTX

International Nuclear Information System (INIS)

Wilson, J.R.; Batchelor, D.; Carter, M.; Hosea, J.; Ignat, D.; LeBlanc, B.; Majeski, R.; Ono, M.; Phillips, C.K.; Rogers, J.H.; Schilling, G.

1997-01-01

Low aspect ratio tokamaks pose interesting new challenges for heating and current drive. The NSTX (National Spherical Tokamak Experiment) device to be built at Princeton is a low aspect ratio toroidal device that has the achievement of high toroidal beta (∼45%) and non-inductive operation as two of its main research goals. To achieve these goals significant auxiliary heating and current drive systems are required. Present plans include ECH (Electron cyclotron heating) for pre-ionization and start-up assist, HHFW (high harmonic fast wave) for heating and current drive and eventually NBI (neutral beam injection) for heating, current drive and plasma rotation. copyright 1997 American Institute of Physics

Adjustable Speed Drives and Power Quality

DEFF Research Database (Denmark)

Davari, Pooya; Yang, Yongheng; Zare, Firuz

2016-01-01

This paper provides an overview and proposes cost-effective and efficient opportunities in improving power quality in Adjustable Speed Drive (ASD) systems. In particular, an Electronic Inductor (EI) technique has been used in single drives to overcome the existing challenges in conventional...... frontend rectifiers even at partial loading conditions. Moreover, the effectiveness of the EI technique along with a phase-shifted current control in terms of improved grid current quality in multi-drive configurations is addressed. Furthermore, a novel DC-link current modulation scheme for multi...

The effect of non-inductive current drive on tokamak transport

International Nuclear Information System (INIS)

Helander, P; Akers, R J; Valovic, M; Peysson, Y

2005-01-01

Non-inductive current drive causes cross-field neoclassical transport in a tokamak, in much the same way that the toroidal electric field used to drive the plasma current produces the so-called Ware pinch. This transport can be either inwards or outwards, depending on the current drive mechanism, and can be either larger or smaller than the analogous Ware pinch. A Green's function formalism is used to calculate the transport produced by wave-driven currents, which is found to be inwards for electron-cyclotron and lower-hybrid current drive. Its magnitude is proportional to the collisionality of the current-carrying electrons and therefore smaller than the Ware pinch when the resonant electrons are suprathermal. In contrast, neutral-beam current drive produces outward particle transport when the beams are injected in the same toroidal direction as the plasma current, and inward particle transport otherwise. This transport is somewhat larger than the corresponding Ware pinch. Together, they may explain an observation made on several tokamaks over the years, most recently on MAST, that density profiles tend to be more peaked during counter-injection

Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

International Nuclear Information System (INIS)

Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

2015-01-01

The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism

Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

Science.gov (United States)

Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

2015-06-01

The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism.

Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

Energy Technology Data Exchange (ETDEWEB)

Elkins, Madeline H.; Williams, Holly L. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Neumark, Daniel M. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2015-06-21

The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 ± 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism.

Time-dependent theory of Raman scattering for systems with several excited electronic states: Application to a H+3 model system

International Nuclear Information System (INIS)

Heather, R.; Metiu, H.

1989-01-01

The time-dependent formulation of Raman scattering theory is used to study how nonadiabatic interactions affect the Raman spectrum of a model H + 3 system, which has two excited electronic states. We start with a formula derived by Heller which gives the Raman scattering cross section as the Fourier transform (over time) of a time-dependent overlap integral. The latter is calculated with a method proposed by Fleck, Morris, and Feit, and extended to curve crossing by Alvarellos and Metiu. In performing these calculations we are especially interested in displaying effects typical of systems having more than one upper state. If the incident laser populates two electronic states there are several ways (i.e., excite to state one and emit from state two, excite to state one, and emit from state one, etc.) by which the Raman process can reach a given final state, and this leads to quantum interference. This interference is manifested in the Raman cross section as approximate selection rules controlling which final states can be reached through the Raman process. These selection rules depend on the relative orientation of the transition dipoles that radiatively couple the ground electronic state with the excited electronic states. The magnitude of the nonadiabatic contribution to the Raman emission, e.g., the contribution from absorbing to state one and emitting from state two, can be determined from the polarization dependence of the Raman emission if the transition dipoles have neither parallel nor antiparallel relative orientation

Kinetic theory of rf current drive and helicity injection

International Nuclear Information System (INIS)

Mett, R.R.

1992-01-01

Current drive and helicity injection by plasma waves are examined with the use of kinetic theory. The Vlasov equation yields a general current drive formula that contains resonant and nonresonant (ponderomotivelike) contributions. Standard quasilinear current drive is described by the former, while helicity current drive may be contained in the latter. Since direct analytical comparison of the sizes of the two terms is, in general, difficult, a new approach is taken. Solution of the drift-kinetic equation shows that the standard Landau damping/transit time magnetic pumping quasilinear diffusion coefficient is the only contribution to steady-state current drive to leading order in ε=ρ L /l, where ρ L is the Larmor radius and l is the inhomogeneity scale length. All nonresonant contributions, including the helicity, appear at higher order, after averages are taken over a flux surface, over azimuth, and over time. Consequently, at wave frequencies well below the electron cyclotron frequency, a wave helicity flux perpendicular to the magnetic field does not influence the parallel motion of electrons to leading order and therefore will not drive a significant current. Any current associated with a wave helicity flux is then either ion current (and thus inefficient) or electron current stemming from effects not included in the drift-kinetic treatment, such as cyclotron, collisional, or nonlinear (i.e., not quasilinear)

Multidisciplinary design of electrical drives

Energy Technology Data Exchange (ETDEWEB)

Blaabjerg, F.; Rasmussen, P.O.; Pedersen, J.K.

1999-07-01

Traditionally, simulation tools for drives can simulate electrical parameters, torque and different loads. Those parameters are in many cases appropriate. However, power electronics in drives will also influence on torque ripple, temperature, vibration and acoustical noise from the motor and it is necessary to include those phenomena in the next generation of simulation tools for electrical drives. This paper describes a new design program where acoustic noise of electromagnetic origin can be simulated and even be heard by the motor and drives designer. The design program is based on a simple vibrational/acoustic model where the parameters can be calculated based on the geometry of the motor. Examples of vibrational/acoustical modelling are included and verified in both time and frequency domain. Special emphasis is on the switched reluctance motor. (au)

Driving error and anxiety related to iPod mp3 player use in a simulated driving experience.

Science.gov (United States)

Harvey, Ashley R; Carden, Randy L

2009-08-01

Driver distraction due to cellular phone usage has repeatedly been shown to increase the risk of vehicular accidents; however, the literature regarding the use of other personal electronic devices while driving is relatively sparse. It was hypothesized that the usage of an mp3 player would result in an increase in not only driving error while operating a driving simulator, but driver anxiety scores as well. It was also hypothesized that anxiety scores would be positively related to driving errors when using an mp3 player. 32 participants drove through a set course in a driving simulator twice, once with and once without an iPod mp3 player, with the order counterbalanced. Number of driving errors per course, such as leaving the road, impacts with stationary objects, loss of vehicular control, etc., and anxiety were significantly higher when an iPod was in use. Anxiety scores were unrelated to number of driving errors.

Following the non-Born-Oppenheimer electron dynamics after photoionization in the Zundel cation

Energy Technology Data Exchange (ETDEWEB)

Li, Zheng; Santra, Robin [CFEL, DESY, Notkestr. 85, D-22607 Hamburg (Germany); Department of Physics, University of Hamburg, D-20355 Hamburg (Germany); El-Amine Madjet, Mohamed; Vendrell, Oriol [CFEL, DESY, Notkestr. 85, D-22607 Hamburg (Germany)

2013-07-01

To investigate the molecular non-Born-Oppenheimer effects, the Coulomb explosion after valence photoionization provides an excellent test-ground, since it is associated with ultrafast non-adiabatic electronic decay, and is experimentally practical with well-developed techniques. We have employed full quantum (MCTDH) and quantum-classical approaches to study the Coulomb explosion of the Zundel dication H{sub 5}O{sub 2}{sup 2+}. In the present study, we have calculated time-resolved observables that are able to provide a clear picture of the specific electronic and nuclear motions arising exclusively from the non-Born-Oppenheimer effects. The Coulomb explosion experiments of molecular ions are suitable to be carried out with the XUV free electron laser FLASH, which can address the valence electrons for chemical reactions, meanwhile the high brightness of FEL offers sufficient signal strength, as illustrated experimentally.

RF Current Drive in Internal Transport Barrier

Energy Technology Data Exchange (ETDEWEB)

Peysson, Y.; Basiuk, V.; Huysmans, G. [Association EURATOM-CEA, CEA/DSM/DRFC, CEA-Cadarache, 13 - St Paul-lez-Durance (France); Decker, J.; Bers, A.; Ram, A.K. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, MA (United States)

2005-07-01

The current drive problem in regimes with internal transport barrier is addressed using a fast solver of the electron drift kinetic equation which may be used for arbitrary tokamak plasma magnetic equilibrium and any type of electron radio-frequency wave. Parametric studies are performed for the Lower Hybrid and Electron Cyclotron waves. (authors)

Adjustable speed drive study, part 1

Science.gov (United States)

Wallace, A.

1989-08-01

Advances in speed control for motors in recent years, notably those in power electronics, have widened the range of application for several adjustable speed drive (ASD) types to include the smaller horsepower sizes. The dc motor drive, formerly in almost universal use for speed control, is being challenged by the high efficiency induction motor/pulse width modulation (PWM) drive; and for special small horsepower size applications, by the permanent magnet motor/PWM inverter drive or by the switched reluctance motor drive. The main characteristics of the several ASD types suitable for small horsepower size applications are discussed, as well as their unwanted side effects: poor power factor, harmonic distortion of the supply, acoustic noise, and electromagnetic interference. A procedure is recommended for determining which, if any, ASD to use.

Fast wave current drive experiment on the DIII-D tokamak

International Nuclear Information System (INIS)

Petty, C.C.; Pinsker, R.I.; Chiu, S.C.; deGrassie, J.S.; Harvey, R.W.; Lohr, J.; Luce, T.C.; Mayberry, M.J.; Prater, R.; Porkolab, M.; Baity, F.W.; Goulding, R.H.; Hoffman, J.D.; James, R.A.; Kawashima, H.

1992-06-01

One method of radio-frequency heating which shows theoretical promise for both heating and current drive in tokamak plasmas is the direct absorption by electrons of the fast Alfven wave (FW). Electrons can directly absorb fast waves via electron Landau damping and transit-time magnetic pumping when the resonance condition ω - κ parallele υ parallele = O is satisfied. Since the FW accelerates electrons traveling the same toroidal direction as the wave, plasma current can be generated non-inductively by launching FW which propagate in one toroidal direction. Fast wave current drive (FWCD) is considered an attractive means of sustaining the plasma current in reactor-grade tokamaks due to teh potentially high current drive efficiency achievable and excellent penetration of the wave power to the high temperature plasma core. Ongoing experiments on the DIII-D tokamak are aimed at a demonstration of FWCD in the ion cyclotron range of frequencies (ICRF). Using frequencies in the ICRF avoids the possibility of mode conversion between the fast and slow wave branches which characterized early tokamak FWCD experiments in the lower hybrid range of frequencies. Previously on DIII-D, efficient direct electron heating by FW was found using symmetric (non-current drive) antenna phasing. However, high FWCD efficiencies are not expected due to the relatively low electron temperatures (compared to a reactor) in DIII-D

Current Drive in a Ponderomotive Potential with Sign Reversal

Energy Technology Data Exchange (ETDEWEB)

N.J. Fisch; J.M. Rax; I.Y. Dodin

2003-07-30

Noninductive current drive can be accomplished through ponderomotive forces with high efficiency when the potential changes sign over the interaction region. The effect can practiced upon both ions and electrons. The current drive efficiencies, in principle, might be higher than those possible with conventional radio-frequency current-drive techniques, since different considerations come into play.

Current Drive in a Ponderomotive Potential with Sign Reversal

International Nuclear Information System (INIS)

Fisch, N.J.; Rax, J.M.; Dodin, I.Y.

2003-01-01

Noninductive current drive can be accomplished through ponderomotive forces with high efficiency when the potential changes sign over the interaction region. The effect can practiced upon both ions and electrons. The current drive efficiencies, in principle, might be higher than those possible with conventional radio-frequency current-drive techniques, since different considerations come into play

RF current drive in a toroidal plasna in the banana regime

International Nuclear Information System (INIS)

Belikov, V.S.; Kolesnichenko, Ya.I.; Plotnik, I.S.

1982-01-01

The use of travelling waves for the steady-state current drive in an axisymmetric toroidal plasma in the banana regime is studied. The treatment is based on a quasi-linear equation for the electron distribution function averaged over the period of the particle motion along the small azimuth of the torus. It is show that the trapped electrons do not absorb the energy of the monochromatic (over frequency) RF field and thus only the circulating electrons contribute to the driving current and to the absorbed RF power. The current and the absorbed power are calculated by using the electron distribution function obtained for the case of narrow wave packet, both the toroidal magnetic field and the distortion of the electron distribution over transverse velocities being taken into consideration. The significant role of the barely carculating electrons is revealed. It is pointed out that the toroidal satellite resonances can affect the RF current drive by spreading and splitting the region of the wave-marticle interaction

Two wheel speed robust sliding mode control for electric vehicle drive

Directory of Open Access Journals (Sweden)

Abdelfatah Nasri

2008-01-01

Full Text Available Nowadays the uses of electrical power resources are integrated in the modern vehicle motion traction chain so new technologies allow the development of electric vehicles (EV by means of static converters-related electric motors. All mechanical transmission devices are eliminated and vehicle wheel motion can be controlled by means of power electronics. The proposed propulsing system consists of two induction motors (IM that ensure the drive of the two back driving wheels. The proposed control structure-called independent machines- for speed control permit the achievement of an electronic differential. The electronic differential system ensures the robust control of the vehicle behavior on the road. It also allows controlling independently, every driving wheel to turn at different speeds in any curve. This paper presents the study and the sliding mode control strategy of the electric vehicle driving wheels.

Neutrino-electron scattering and the choice between different MSW solutions of the solar neutrino problem

International Nuclear Information System (INIS)

Rosen, S.P.; Gelb, J.M.

1989-01-01

This paper considers the scattering of solar neutrinos by electrons as a means for distinguishing between different MSW solutions of the solar neutrino problem. In terms of the ratio R between the observed cross-section and that for pure electron-type neutrinos, some correlation between the value of R and each solution is found. A value of R ≤ 1/3 implies that the adiabatic solution is correct, while values between 1/3 and 3/5 are consistent with the large angle solution. A value close to 1/2 is also consistent with the non-adiabatic solution, and a value less than (1/6 - 1/7) implies oscillations into sterile neutrinos

Molecular Computational Investigation of Electron Transfer Kinetics across Cytochrome-Iron Oxide Interfaces

International Nuclear Information System (INIS)

Kerisit, Sebastien N.; Rosso, Kevin M.; Dupuis, Michel; Valiev, Marat

2007-01-01

The interface between electron transfer proteins such as cytochromes and solid phase mineral oxides is central to the activity of dissimilatory-metal reducing bacteria. A combination of potential-based molecular dynamics simulations and ab initio electronic structure calculations are used in the framework of Marcus' electron transfer theory to compute elementary electron transfer rates from a well-defined cytochrome model, namely the small tetraheme cytochrome (STC) from Shewanella oneidensis, to surfaces of the iron oxide mineral hematite (a-Fe2O3). Room temperature molecular dynamics simulations show that an isolated STC molecule favors surface attachment via direct contact of hemes I and IV at the poles of the elongated axis, with electron transfer distances as small as 9 Angstroms. The cytochrome remains attached to the mineral surface in the presence of water and shows limited surface diffusion at the interface. Ab initio electronic coupling matrix element (VAB) calculations of configurations excised from the molecular dynamics simulations reveal VAB values ranging from 1 to 20 cm-1, consistent with nonadiabaticity. Using these results, together with experimental data on the redox potential of hematite and hemes in relevant cytochromes and calculations of the reorganization energy from cluster models, we estimate the rate of electron transfer across this model interface to range from 1 to 1000 s-1 for the most exothermic driving force considered in this work, and from 0.01 to 20 s-1 for the most endothermic. This fairly large range of electron transfer rates highlights the sensitivity of the rate upon the electronic coupling matrix element, which is in turn dependent on the fluctuations of the heme configuration at the interface. We characterize this dependence using an idealized bis-imidazole heme to compute from first principles the VAB variation due to porphyrin ring orientation, electron transfer distance, and mineral surface termination. The electronic

Transmission control unit drive based on the AUTOSAR standard

Science.gov (United States)

Guo, Xiucai; Qin, Zhen

2018-03-01

It is a trend of automotive electronics industry in the future that automotive electronics embedded system development based on the AUTOSAR standard. AUTOSAR automotive architecture standard has proposed the transmission control unit (TCU) development architecture and designed its interfaces and configurations in detail. This essay has discussed that how to drive the TCU based on AUTOSAR standard architecture. The results show that driving the TCU with the AUTOSAR system improves reliability and shortens development cycles.

Electron cyclotron current drive at ω approx. = ωc with X-mode launched from the low field side

International Nuclear Information System (INIS)

Leuterer, F.; Kubo, S.

2000-02-01

The electron cyclotron resonance layer in a tokamak, ω=ω c (r), is not accessible by the extraordinary wave from the low field side, because it is shielded by a cutoff layer. However, a X-mode launched with a nonzero toroidal angle propagates at the cutoff parallel to the magnetic field and has a circular polarization. Therefore it can already at the cutoff layer interact efficiency with electrons via the Doppler shifted resonance. The driven current can be substantially higher than that driven by the second harmonic X-mode. The applicability of this current drive scheme is limited to rather low values of ω p 2 /ω c 2 , but may be of interest for high magnetic field devices. (author)

Lower-hybrid heating and current drive on PLT

International Nuclear Information System (INIS)

Hooke, W.; Bernabei, S.; Boyd, D.

1983-02-01

Steady currents up to 165 kA for 3.5 seconds and 420 kA for 0.3 seconds have been maintained by 800 MHz lower hybrid waves. For line-averaged densities up to 7 x 10 12 cm - 3 the current is maintained with no input power from the ohmic heating transformer. The waves are launched with an array of six waveguides. Measurements of X rays and electron cyclotron radiation show that the rf power produces and maintains a suprathermal tail of electrons apparently independent of the number of fast electrons in the plasma prior to turning on the rf power. Measurements of current-drive efficiency and the electron tail provide direct evidence for a resonant wave-particle interaction. The radial profile of the rf-sustained current inferred from x-ray measurements is peaked in the center of the plasma and appears to obey the same q-value restraints as the inductively driven ohmic heating current. Current drive is observed to be accompanied always by radiation at frequencies greater than or equal to #betta#/sub ce/ and less than or equal to #betta#/sub pe/. The connection between this radiation and the current-drive mechanism is under study

Current-drive and plasma formation experiments on the Versator-II tokamak using lower-hybrid and electron-cyclotron waves

International Nuclear Information System (INIS)

Colborn, J.A.

1992-01-01

During lower-hybrid current-driven (LHCD) tokamak discharges with thermal electron temperature T e ∼ 150 eV, a two-parallel-temperature tail is observed in the electron distribution function. The cold tail extends to parallel energy E parallel ∼ 4.5 keV with temperature T cold tail ∼ 1.5 keV, and the hot tail extends to E parallel > 150 keV with T hot tail > 40 keV. Fokker-Planck computer simulations suggest the cold tail is created by low power, high-N parallel sidelobes in the lower-hybrid antenna spectrum, and that these sidelobes bridge the spectral gap, enabling current drive on small tokamaks such as Versator. During plasma-formation experiments using 28 GHz electroncyclotron (EC) waves, the plasma is born near the EC layer, then moves toward the upper-hybrid (UH) layer within 100-200μs. Wave power is detected in the plasma with frequency f = 300 MHz. Measured turbulent plasma fluctuations are correlated with decay-wave amplitude. Electron-cyclotron current-drive (ECCD) is observed with loop voltage V loop ≤ 0 and fully sustained plasma current I p approx-lt 15 kA at densities up to [n e ] = 2 x 10 12 cm -3 . The efficiency falls rapidly to zero as the density is raised, suggesting the ECCD depends on low collisonality. The EC waves enhance magnetic turbulence in the frequency range 50 kHz approx-lt f approx-lt 400 kHz by up to an order of magnitude. The time-of-arrival of the turbulence to probes at the plasma boundary is longer when the EC layer is farther from the probes

How to Drive CARS in Reverse

Science.gov (United States)

2013-11-07

and ‘heats’ this plasma creating an electron avalanche , analogous to the electric discharge used in traditional nitrogen lasers. These schemes are all... pulse . This pulse is then used to drive a coherent anti-Stokes Raman scattering scheme, resulting in a strong chemically specific signal propagating...generation of a backward propagating stimulated Raman pulse . This pulse is then used to drive a coherent anti-Stokes Raman scattering scheme, resulting in a

Determination of lifetimes and nonadiabatic correlations from measured dipole polarizabilities

International Nuclear Information System (INIS)

Curtis, Lorenzo J

2007-01-01

In atomic systems for which the total oscillator strength of excitations from the ground state is dominated by the transition to the lowest resonance level, the f-sum rule provides a bracketing inequality connecting the lifetime τ of that level to the dipole polarizability α d . This relationship has been used previously to deduce α d from τ. It is shown here that improved spectroscopic accuracies now permit this procedure to be inverted, with τ deduced from a value for α d obtained spectroscopically using the core polarization model. A similar quantitative relationship exists connecting the nonadiabatic correlation factor β to τ, and thus also to α d . The method is applied to a recent measurement of α d for Kr 6+ to obtain the values τ(4s4p 1 P 1 ) 0.096 ± 0.003 ns and β(Kr 6+ ) = 1.71 ± 0.03a 5 0 . It is shown that the use of this method to make precision lifetime determinations for a small number of ions in an isoelectronic sequence permits the exploitation of observed semiempirical regularities to specify the lifetimes of all ions in that sequence

Study of lower hybrid current drive for the demonstration reactor

Energy Technology Data Exchange (ETDEWEB)

Molavi-Choobini, Ali Asghar [Dept. of Physics, Faculty of Engineering, Islamic Azad University, Shahr-e-kord Branch, Shahr-e-kord (Iran, Islamic Republic of); Naghidokht, Ahmed [Dept. of Physics, Urmia University, Urmia (Iran, Islamic Republic of); Karami, Zahra [Dept. of Engineering, Islamic Azad University, Zanjan Branch, Zanjan (Iran, Islamic Republic of)

2016-06-15

Steady-state operation of a fusion power plant requires external current drive to minimize the power requirements, and a high fraction of bootstrap current is required. One of the external sources for current drive is lower hybrid current drive, which has been widely applied in many tokamaks. Here, using lower hybrid simulation code, we calculate electron distribution function, electron currents and phase velocity changes for two options of demonstration reactor at the launched lower hybrid wave frequency 5 GHz. Two plasma scenarios pertaining to two different demonstration reactor options, known as pulsed (Option 1) and steady-state (Option 2) models, have been analyzed. We perceive that electron currents have major peaks near the edge of plasma for both options but with higher efficiency for Option 1, although we have access to wider, more peripheral regions for Option 2. Regarding the electron distribution function, major perturbations are at positive velocities for both options for flux surface 16 and at negative velocities for both options for flux surface 64.

The impact of therapeutic opioid agonists on driving-related psychomotor skills assessed by a driving simulator or an on-road driving task: A systematic review.

Science.gov (United States)

Ferreira, Diana H; Boland, Jason W; Phillips, Jane L; Lam, Lawrence; Currow, David C

2018-04-01

Driving cessation is associated with poor health-related outcomes. People with chronic diseases are often prescribed long-term opioid agonists that have the potential to impair driving. Studies evaluating the impact of opioids on driving-related psychomotor skills report contradictory results likely due to heterogeneous designs, assessment tools and study populations. A better understanding of the effects of regular therapeutic opioid agonists on driving can help to inform the balance between individual's independence and community safety. To identify the literature assessing the impact of regular therapeutic opioid agonists on driving-related psychomotor skills for people with chronic pain or chronic breathlessness. Systematic review reported in accordance with the Preferred Reporting Items for Systematic Review and Meta-analysis statement; PROSPERO Registration CRD42017055909. Six electronic databases and grey literature were systematically searched up to January, 2017. Inclusion criteria were as follows: (1) empirical studies reporting data on driving simulation, on-the-road driving tasks or driving outcomes; (2) people with chronic pain or chronic breathlessness; and (3) taking regular therapeutic opioid agonists. Critical appraisal used the National Institutes of Health's quality assessment tools. From 3809 records screened, three studies matched the inclusion criteria. All reported data on people with chronic non-malignant pain. No significant impact of regular therapeutic opioid agonists on people's driving-related psychomotor skills was reported. One study reported more intense pain significantly worsened driving performance. This systematic review does not identify impaired simulated driving performance when people take regular therapeutic opioid agonists for symptom control, although more prospective studies are needed.

Electron-cyclotron wave propagation, absorption and current drive in the presence of neoclassical tearing modes

Science.gov (United States)

Isliker, Heinz; Chatziantonaki, Ioanna; Tsironis, Christos; Vlahos, Loukas

2012-09-01

We analyze the propagation of electron-cyclotron waves, their absorption and current drive when neoclassical tearing modes (NTMs), in the form of magnetic islands, are present in a tokamak plasma. So far, the analysis of the wave propagation and power deposition in the presence of NTMs has been performed mainly in the frame of an axisymmetric magnetic field, ignoring any effects from the island topology. Our analysis starts from an axisymmetric magnetic equilibrium, which is perturbed such as to exhibit magnetic islands. In this geometry, we compute the wave evolution with a ray-tracing code, focusing on the effect of the island topology on the efficiency of the absorption and current drive. To increase the precision in the calculation of the power deposition, the standard analytical flux-surface labeling for the island region has been adjusted from the usual cylindrical to toroidal geometry. The propagation up to the O-point is found to be little affected by the island topology, whereas the power absorbed and the driven current are significantly enhanced, because the resonant particles are bound to the small volumes in between the flux surfaces of the island. The consequences of these effects on the NTM evolution are investigated in terms of the modified Rutherford equation.

Electron-cyclotron wave propagation, absorption and current drive in the presence of neoclassical tearing modes

International Nuclear Information System (INIS)

Isliker, Heinz; Chatziantonaki, Ioanna; Tsironis, Christos; Vlahos, Loukas

2012-01-01

We analyze the propagation of electron-cyclotron waves, their absorption and current drive when neoclassical tearing modes (NTMs), in the form of magnetic islands, are present in a tokamak plasma. So far, the analysis of the wave propagation and power deposition in the presence of NTMs has been performed mainly in the frame of an axisymmetric magnetic field, ignoring any effects from the island topology. Our analysis starts from an axisymmetric magnetic equilibrium, which is perturbed such as to exhibit magnetic islands. In this geometry, we compute the wave evolution with a ray-tracing code, focusing on the effect of the island topology on the efficiency of the absorption and current drive. To increase the precision in the calculation of the power deposition, the standard analytical flux-surface labeling for the island region has been adjusted from the usual cylindrical to toroidal geometry. The propagation up to the O-point is found to be little affected by the island topology, whereas the power absorbed and the driven current are significantly enhanced, because the resonant particles are bound to the small volumes in between the flux surfaces of the island. The consequences of these effects on the NTM evolution are investigated in terms of the modified Rutherford equation. (paper)

High-efficiency toroidal current drive using low-phase-velocity kinetic Alfven waves

International Nuclear Information System (INIS)

Puri, S.

1991-09-01

A method for obtaining efficient current drive in Tokamaks using low-phase-velocity (v ρ = ω/K parallel ∝ 0.1v te ) kinetic Alfen wave is proposed. The wave momentum, imparted primarily to the trapped electrons by Landau damping, is stored as the canonical angular momentum via the Ware pinch. In steady state, collisions restore the pinched electrons to their original phase-space configuration, in the process releasing the stored canonical angular momentum to the background ions and electrons in proportion to the respective collision frequencies. Despite the loss of a part of the original impulse to the plasma ions, well over half the wave momentum is ultimately delivered to the bulk-plasma electrons, resulting in an efficient current drive. A normalized current-drive efficiency γ = R 0 20 > I/P ∝ 2 would be feasible using the subthermal kinetic-Alfen-wave current drive in a Tokamak of reactor parameters. Optimum antenna loading conditions are described. The problem of accessibility is discussed. In an elongated, high-β plasma with a density dependence n e ∝ (1-ρ 2 ) Χn , accessibility is restricted to ρ > or approx. 3/(4A Χn ), where A is the aspect ratio. For current drive at still lower values of ρ, operation in conjunction with fast-wave current drive is suggested. (orig.)

Predictions of fast wave heating, current drive, and current drive antenna arrays for advanced tokamaks

International Nuclear Information System (INIS)

Batchelor, D.B.; Baity, F.W.; Carter, M.D.

1994-01-01

The objective of the advanced tokamak program is to optimize plasma performance leading to a compact tokamak reactor through active, steady state control of the current profile using non-inductive current drive and profile control. To achieve these objectives requires compatibility and flexibility in the use of available heating and current drive systems--ion cyclotron radio frequency (ICRF), neutral beams, and lower hybrid. For any advanced tokamak, the following are important challenges to effective use of fast waves in various roles of direct electron heating, minority ion heating, and current drive: (1) to employ the heating and current drive systems to give self-consistent pressure and current profiles leading to the desired advanced tokamak operating modes; (2) to minimize absorption of the fast waves by parasitic resonances, which limit current drive; (3) to optimize and control the spectrum of fast waves launched by the antenna array for the required mix of simultaneous heating and current drive. The authors have addressed these issues using theoretical and computational tools developed at a number of institutions by benchmarking the computations against available experimental data and applying them to the specific case of TPX

Charge exchange in collisions of beryllium with its ion.

Science.gov (United States)

Zhang, Peng; Dalgarno, Alexander; Côté, Robin; Bodo, Enrico

2011-11-14

Close-coupling calculations of the resonance and near resonance charge exchange in ion-atom collisions of Be at low and intermediate energies are presented. Accurate ab initio calculations are carried out of the Born-Oppenheimer potentials and the non-adiabatic couplings that are due to the finite nuclear masses and drive the near resonance charge exchange. We show that the near resonance charge exchange cross section follows Wigner's threshold law of inelastic processes for energies below 10(-8) eV and that the zero temperature rate constant for it is 4.5 × 10(-10) cm(3) s(-1). At collision energies much larger than the isotope shift of the ionization potentials of the atoms, we show that the near resonance charge exchange process is equivalent to the resonance charge exchange with cross sections having a logarithmic dependence. We also investigate the perturbation to the charge exchange process due to the non-adiabatic interaction to an electronic excited state. We show that the influence is negligible at low temperatures and still small at intermediate energies despite the presence of resonances.

A Novel Harmonic Elimination Approach in Three-Phase Multi-Motor Drives

DEFF Research Database (Denmark)

Davari, Pooya; Yang, Yongheng; Zare, Firuz

2015-01-01

and may cause unnecessary losses in power system transformers. Both degradations are apt to occur in motor drive applications. As a consequence, it calls for advanced and intelligent control strategies for the power electronics based drive systems like adjustable speed drives in industry. At present, many...

Research activities and plan of electron cyclotron wave startup and Alfven wave current drive at SUNIST

International Nuclear Information System (INIS)

Gao Zhe; He Yexi; Tan Yi

2009-01-01

Using electromagnetic waves to startup and sustain plasma current takes a important role in the research program of the SUNIST spherical tokamak. Electron cyclotron ware (ECW) current startup have been investigated and revealed two totally different regimes. In the regime of very low working pressure, a plasma current of about 2 kA is obtained with a steadily applied vertical field of 12 Gauss and 40 kW/2.45 GHz microwave injection. In addition, the physics of the transient process during ECW startup in the relatively high working pressure regime is analyzed. The hardware preparation for the experimental research of Alfven wave current drive is being performed. The Alfven wave antenna system consists of four models in toroidal direction and two antenna straps in poloidal direction for each module and the rf generator has been designed as a four-phase oscillator (4x100 kW, 0.5 - 1 Mhz).The impedance spectrum of the antenna system is roughly evaluated by 1-D cylindrical magneto-hydrodynamic calculation. To investigate the wave-plasma interaction in ECW startup and Alfven wave current drive, upgrade of the device, especially in equilibrium control and diagnostics, is ongoing. (author)

On the length dependence of bridge-mediated electron transfer reactions

International Nuclear Information System (INIS)

Petrov, E.G.; Shevchenko, Ye.V.; May, V.

2003-01-01

Bridge-mediated nonadiabatic donor-acceptor (D-A) electron transfer (ET) is studied for the case of a regular molecular bridge of N identical units. It is shown that the multi-exponential ET kinetics reduces to a single-exponential transfer if, and only if, the integral population of the bridge remains small (less than 10 -2 ). An analytical expression for the overall D-A ET rate is derived and the necessary and sufficient conditions are formulated at which the rate is given as a sum of a superexchange and a sequential contribution. To describe experimental data on the N-dependence of ET reactions an approximate form of the overall transfer rate is derived. This expression is used to reproduce experimental data on distant ET through polyproline chains. Finally it is noted that the obtained analytical results can also be used for the description of more complex two-electron transfer reactions if the latter comprises separate single-electron pathways

Progress in the ITER electron cyclotron heating and current drive system design

Energy Technology Data Exchange (ETDEWEB)

Omori, Toshimichi, E-mail: toshimichi.omori@iter.org [ITER Organization, Route de Vinon sur Verdon, CS 90 046, 13067 St Paul Lez Durance Cedex (France); Albajar, Ferran; Bonicelli, Tullio; Carannante, Giuseppe; Cavinato, Mario; Cismondi, Fabio [Fusion for Energy, Josep Pla 2, Barcelona 08019 (Spain); Darbos, Caroline [ITER Organization, Route de Vinon sur Verdon, CS 90 046, 13067 St Paul Lez Durance Cedex (France); Denisov, Grigory [Institute of Applied Physics Russian Academy of Sciences, 46 Ulyanov Street, Nizhny Novgorod 603950 (Russian Federation); Farina, Daniela [Istituto di Fisica del Plasma, Association EURATOM-ENEA-CNR, Milano (Italy); Gagliardi, Mario [Fusion for Energy, Josep Pla 2, Barcelona 08019 (Spain); Gandini, Franco; Gassmann, Thibault [ITER Organization, Route de Vinon sur Verdon, CS 90 046, 13067 St Paul Lez Durance Cedex (France); Goodman, Timothy [CRPP, Association EURATOM-Confédération Suisse, EPFL Ecublens, CH-1015 Lausanne (Switzerland); Hanson, Gregory [US ITER Project Office, ORNL, 055 Commerce Park, PO Box 2008, Oak Ridge, TN 37831 (United States); Henderson, Mark A. [ITER Organization, Route de Vinon sur Verdon, CS 90 046, 13067 St Paul Lez Durance Cedex (France); Kajiwara, Ken [Japan Atomic Energy Agency (JAEA), 801-1 Mukoyama, Naka-shi, Ibaraki 311-0193 (Japan); McElhaney, Karen [US ITER Project Office, ORNL, 055 Commerce Park, PO Box 2008, Oak Ridge, TN 37831 (United States); Nousiainen, Risto [Fusion for Energy, Josep Pla 2, Barcelona 08019 (Spain); Oda, Yasuhisa [Japan Atomic Energy Agency (JAEA), 801-1 Mukoyama, Naka-shi, Ibaraki 311-0193 (Japan); Oustinov, Alexander [Institute of Applied Physics Russian Academy of Sciences, 46 Ulyanov Street, Nizhny Novgorod 603950 (Russian Federation); and others

2015-10-15

Highlights: • EC system is designed with an ability to upgrade in power to 28 MW then 40 MW. • The TL is capable of 3 buildings movements; ±15 mm displacements at the worst. • Improved power deposition access injecting 20 MW across nearly the entire plasma. • Ensured nuclear safety by appropriate definition of confinement boundaries. • Proposed I&C architecture for the overall EC plant was successfully reviewed. - Abstract: An electron cyclotron system is one of the four auxiliary plasma heating systems to be installed on the ITER tokamak. The ITER EC system consists of 24 gyrotrons with associated 12 high voltage power supplies, a set of evacuated transmission lines and two types of launchers. The whole system is designed to inject 20 MW of microwave power at 170 GHz into the plasma. The primary functions of the system include plasma start-up, central heating and current drive, and magneto-hydrodynamic instabilities control. The design takes present day technology and extends towards high power CW operation, which represents a large step forward as compared to the present state of the art. The ITER EC system will be a stepping stone to future EC systems for DEMO and beyond. The EC system is faced with significant challenges, which not only includes an advanced microwave system for plasma heating and current drive applications but also has to comply with stringent requirements associated with nuclear safety as ITER became the first fusion device licensed as basic nuclear installations as of 9 November 2012. Since conceptual design of the EC system established in 2007, the EC system has progressed to a preliminary design stage in 2012, and is now moving forward towards a final design. The majority of the subsystems have completed the detailed design and now advancing towards the final design completion.

Progress in the ITER electron cyclotron heating and current drive system design

International Nuclear Information System (INIS)

Omori, Toshimichi; Albajar, Ferran; Bonicelli, Tullio; Carannante, Giuseppe; Cavinato, Mario; Cismondi, Fabio; Darbos, Caroline; Denisov, Grigory; Farina, Daniela; Gagliardi, Mario; Gandini, Franco; Gassmann, Thibault; Goodman, Timothy; Hanson, Gregory; Henderson, Mark A.; Kajiwara, Ken; McElhaney, Karen; Nousiainen, Risto; Oda, Yasuhisa; Oustinov, Alexander

2015-01-01

Highlights: • EC system is designed with an ability to upgrade in power to 28 MW then 40 MW. • The TL is capable of 3 buildings movements; ±15 mm displacements at the worst. • Improved power deposition access injecting 20 MW across nearly the entire plasma. • Ensured nuclear safety by appropriate definition of confinement boundaries. • Proposed I&C architecture for the overall EC plant was successfully reviewed. - Abstract: An electron cyclotron system is one of the four auxiliary plasma heating systems to be installed on the ITER tokamak. The ITER EC system consists of 24 gyrotrons with associated 12 high voltage power supplies, a set of evacuated transmission lines and two types of launchers. The whole system is designed to inject 20 MW of microwave power at 170 GHz into the plasma. The primary functions of the system include plasma start-up, central heating and current drive, and magneto-hydrodynamic instabilities control. The design takes present day technology and extends towards high power CW operation, which represents a large step forward as compared to the present state of the art. The ITER EC system will be a stepping stone to future EC systems for DEMO and beyond. The EC system is faced with significant challenges, which not only includes an advanced microwave system for plasma heating and current drive applications but also has to comply with stringent requirements associated with nuclear safety as ITER became the first fusion device licensed as basic nuclear installations as of 9 November 2012. Since conceptual design of the EC system established in 2007, the EC system has progressed to a preliminary design stage in 2012, and is now moving forward towards a final design. The majority of the subsystems have completed the detailed design and now advancing towards the final design completion.

Neoclassical tearing modes in DIII-D and calculations of the stabilizing effects of localized electron cyclotron current drive

International Nuclear Information System (INIS)

Prater, R.; La Haye, R. J.; Lin-Liu, Y. R.; Lohr, J.; Perkins, F. W.; Bernabei, S.; Wong, K.-L.; Harvey, R. W.

1999-01-01

Neoclassical tearing modes are found to limit the achievable beta in many high performance discharges in DIII-D. Electron cyclotron current drive within the magnetic islands formed as the tearing mode grows has been proposed as a means of stabilizing these modes or reducing their amplitude, thereby increasing the beta limit by a factor around 1.5. Some experimental success has been obtained previously on Asdex-U. Here we examine the parameter range in DIII-D in which this effect can best be studied

Theoretical Studies of Electron Interaction with Molecular Ions and Mutual Neutralization - HeH and BeH

International Nuclear Information System (INIS)

Larson, Asa

2012-01-01

Reactions driven through electronic resonant states of HeH and BeH are discussed. These reactions are dissociative recombination (DR), resonant vibrational excitations (VE) and resonant dissociative excitations (DE). Another process is mutual neutralization (MN). HeH: The electronic resonant states of HeH are calculated using the full Configuration Interaction (CI) method with a large basis set. To obtain the autoionization widths electron scattering calculations are carried out using the Complex-Kohn variational method. The target ion is then described with a multi- reference CI wave function. Non-adiabatic couplings between the resonant states are computed using a method developed by V. Sidis. Cross sections for VE and DE of HeH in different vibrational states are computed by solving a driven Schroedinger equation and including autoionization using a local model. The non-adiabatic couplings between the resonant states are neglected. The cross sections become large when the energy is high enough to capture into the resonant states. The computed cross section for DE with the ion in the ground vibrational state is in very good agreement with measurement. The MN reaction, He + + H - →He*+ H, will be studied using strictly diabatic states. Autoionization will be included using the local model and the cross section will be computed by numerically solving a Matrix-Riccati equation for the radial wave function. BeH: We have previously studied DR of BeH + including the capture into electronic resonant states. Electronic couplings between the neutral states were included using a quasidiabatization procedure. Using the multi-channel quantum defect theory, the non-adiabatic couplings to the Rydberg states are now also incorporated. The indirect process results in sharp oscillations in the cross section and it influences the low temperature thermal rate coefficient for the reaction. Resonant VE and DE of BeH + in different vibrational states are investigated. The cross

Passive cyclotron current drive for fusion plasmas

International Nuclear Information System (INIS)

Kernbichler, W.

1995-01-01

The creation of toroidal current using cyclotron radiation in a passive way is, together with the well known bootstrap current, an interesting method for stationary current drive in high-temperature fusion reactors. Here, instead of externally applied RF-waves, fish-scale like structures at the first wall help to create enough asymmetry in the self generated cyclotron radiation intensity to drive a current within the plasma. The problem of computing passive cyclotron current drive consists of actually two linked problems, which are the computation of the electron equilibrium under the presence of self-generated radiation, and the computation of the photon equilibrium in a bounded system with a distorted electron distribution. This system of integro-differential equations cannot be solved directly in an efficient way. Therefore a linearization procedure was developed to decouple both sets of equations, finally linked through a generalized local current drive efficiency. The problem of the exact accounting for the wall profile effects was reduced to the solution of a Fredholm-type integral equation of the 2 nd -kind. Based on all this an extensive computer code was developed to compute the passively driven current as well as radiation losses, radiation transport and overall efficiencies. The results therefrom give an interesting and very detailed insight into the problems related to passive cyclotron current drive

Electron cyclotron current drive in the Wendelstein 7-AS stellarator

Energy Technology Data Exchange (ETDEWEB)

Maassberg, H [Max-Planck Institut fuer Plasmaphysik, EURATOM Association, D-85748 Garching (Germany); Rome, M [I.N.F.N., I.N.F.M., Dipartimento di Fisica, Universita degli Studi, I-20133 Milan (Italy); Erckmann, V [Max-Planck Institut fuer Plasmaphysik, EURATOM Association, D-85748 Garching (Germany); Geiger, J [Max-Planck Institut fuer Plasmaphysik, EURATOM Association, D-85748 Garching (Germany); Laqua, H P [Max-Planck Institut fuer Plasmaphysik, EURATOM Association, D-85748 Garching (Germany); Marushchenko, N B [Max-Planck Institut fuer Plasmaphysik, EURATOM Association, D-85748 Garching (Germany)

2005-08-01

High power electron cyclotron current drive (ECCD) experiments in the W7-AS stellarator are analysed. In these net-current-free discharges, the ECCD and the bootstrap current are feedback controlled by an inductive current. Based on the measured density and temperature profiles, the neoclassical predictions of the bootstrap (with the ambipolar radial electric field taken into account) and the inductive current densities as well as the ECCD from the linear adjoint approach with trapped particles included are calculated. For stationary conditions, the current balance is checked. Launch-angle scans at fixed density as well as density scans at fixed launch-angle are described. Low-frequency MHD mode activity is obtained for strong co-ECCD, and for counter-ECCD a ' {iota}-bar approx.= 0 feature' with complete loss of the central confinement is found. The linear ECCD prediction is in reasonable agreement with the current balance except for low-density discharges with highly peaked on-axis deposition, where the ECCD predicted from linear theory exceeds by a factor of about 2 the one from the current balance. Since the bootstrap current is well balanced by the inductive current without ECCD, the linear ECCD overestimate is compared with nonlinear Fokker-Planck (FP) simulations, where two different power loss models are used to reach steady state. These volume-averaged FP simulations cannot describe the ECCD degradation at the low densities.

Electron cyclotron current drive in the Wendelstein 7-AS stellarator

International Nuclear Information System (INIS)

Maassberg, H; Rome, M; Erckmann, V; Geiger, J; Laqua, H P; Marushchenko, N B

2005-01-01

High power electron cyclotron current drive (ECCD) experiments in the W7-AS stellarator are analysed. In these net-current-free discharges, the ECCD and the bootstrap current are feedback controlled by an inductive current. Based on the measured density and temperature profiles, the neoclassical predictions of the bootstrap (with the ambipolar radial electric field taken into account) and the inductive current densities as well as the ECCD from the linear adjoint approach with trapped particles included are calculated. For stationary conditions, the current balance is checked. Launch-angle scans at fixed density as well as density scans at fixed launch-angle are described. Low-frequency MHD mode activity is obtained for strong co-ECCD, and for counter-ECCD a ' ι-bar approx.= 0 feature' with complete loss of the central confinement is found. The linear ECCD prediction is in reasonable agreement with the current balance except for low-density discharges with highly peaked on-axis deposition, where the ECCD predicted from linear theory exceeds by a factor of about 2 the one from the current balance. Since the bootstrap current is well balanced by the inductive current without ECCD, the linear ECCD overestimate is compared with nonlinear Fokker-Planck (FP) simulations, where two different power loss models are used to reach steady state. These volume-averaged FP simulations cannot describe the ECCD degradation at the low densities

Electron Flux Dropouts at L ˜ 4.2 From Global Positioning System Satellites: Occurrences, Magnitudes, and Main Driving Factors

Science.gov (United States)

Boynton, R. J.; Mourenas, D.; Balikhin, M. A.

2017-11-01

Dropouts in electron fluxes at L ˜ 4.2 were investigated for a broad range of energies from 120 keV to 10 MeV, using 16 years of electron flux data from Combined X-ray Dosimeter on board Global Positioning System (GPS) satellites. Dropouts were defined as flux decreases by at least a factor 4 in 12 h, or 24 h during which a decrease by at least a factor of 1.5 must occur during each 12 h time bin. Such fast and strong dropouts were automatically identified from the GPS electron flux data and statistics of dropout magnitudes, and occurrences were compiled as a function of electron energy. Moreover, the Error Reduction Ratio analysis was employed to search for nonlinear relationships between electron flux dropouts and various solar wind and geomagnetic activity indices, in order to identify potential external causes of dropouts. At L ˜ 4.2, the main driving factor for the more numerous and stronger 1-10 MeV electron dropouts turns out to be the southward interplanetary magnetic field Bs, suggesting an important effect from precipitation loss due to combined electromagnetic ion cyclotron and whistler mode waves in a significant fraction of these events, supplementing magnetopause shadowing and outward radial diffusion which are also effective at lower energies.

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

Science.gov (United States)

Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel

2018-04-01

We introduce a simple ansatz for the wave function of a many-body system based on coupled forward and backward propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in electron-phonon systems. The time evolution of the system is obtained from the Euler-Lagrange variational principle, and we show that this ansatz yields Ehrenfest mean-field theory in the limit that the forward and backward trajectories are orthogonal, and in the limit that they coalesce. We investigate accuracy and performance of this method by simulating electronic relaxation in the spin-boson model and the Holstein model. Although this method involves only pairs of semiclassical trajectories, it shows a substantial improvement over mean-field theory, capturing quantum coherence of nuclear dynamics as well as electron-nuclear correlations. This improvement is particularly evident in nonadiabatic systems, where the accuracy of this coupled trajectory method extends well beyond the perturbative electron-phonon coupling regime. This approach thus provides an attractive route forward to the ab initio description of relaxation processes, such as thermalization, in condensed phase systems.

Single-stage depressed collectors for gyrotrons

International Nuclear Information System (INIS)

Piosczyk, B.; Iatrou, C.T.; Dammertz, G.; Thumm, M.; Univ. Karlsruhe

1996-01-01

Two 140 GHz gyrotrons with a single-step depressed collector have been operated. The different position of the isolating collector gap in the stray magnetic field causes the electron motion in the retarding region to be in one case adiabatic and in the other case nonadiabatic. The kind of motion within the retarding field influences strongly the behavior of the gyrotron with a depressed collector. In the case of nonadiabatic motion a significant amount of transverse momentum is given to the electrons reflected at the collector potential. This causes the reflected electrons to be trapped between the magnetic mirror and the collector. The electrons escape from the trap by diffusion across the magnetic field to the body of the tube thus contributing to the body current. Despite the high body current there is no observable influence of the collector voltage on the RF output power. In the case of adiabatic motion the reflected electrons do not gain a sufficient amount of transverse momentum to be trapped by the magnetic mirror. They pass the cavity toward the gun and they are trapped between the negative gun potential and the collector. The interaction with the RF field by electrons traveling through the cavity enhances the diffusion in the velocity space thus enabling the trapped electrons to overcome the potential barrier and escape toward the collector. Therefore the body current stays at low values since in this case the reflected electrons do not contribute to it. However, at higher collector voltages a reduction of RF power occurred and some noise in the electron beam was observed. The main motivation for the development of gyrotrons in the frequency range above 100 GHz with power levels in excess of several hundreds kW per tube, is the application in magnetic fusion devices for plasma heating and for electron current drive

Reduce consumption, improve production. Electronic adjustable speed drives and high performance motors; Consommez moins, produisez mieux. Variateurs electroniques de vitesse et moteurs performants

Energy Technology Data Exchange (ETDEWEB)

David, A.; Pratmarty, D.; Dessoude, M. [Electricite de France (EDF), 92 - Clamart (France). Direction des Etudes et Recherches

1995-10-01

The electric power consumption from electric motors accounts for up to two third of industry`s electric power consumption. When equipped with electronic adjustable speed drives (ASD), energy savings of 10 to 50 percent, with an estimated average of 25 percent, may be achieved for pumps, fans and compressors, which account for 63 percent of motor applications. The advantages of electronic ASD, the installation recommendations which should be applied, the sensibility of ASDs to power cuts and harmonics, the characteristics of high efficiency motors, the energy aspects of motors with or without electronic ASD, and the EDF-ADEME (French energy conservation agency) approach for electricity demand side management, are described

Predictions of of fast wave heating, current drive, and current drive antenna arrays for advanced tokamaks

International Nuclear Information System (INIS)

Batchelor, D.B.; Baity, F.W.; Carter, M.D.

1995-01-01

The objective of the advanced tokamak program is to optimize plasma performance leading to a compact tokamak reactor through active, steady state control of the current profile using non-inductive current drive and profile control. To achieve this objective requires compatibility and flexibility in the use of available heating and current drive systems - ion cyclotron radio frequency (ICRF), neutral beams, and lower hybrid. For any advanced tokamak, the following are important challenges to effective use of fast waves in various role of direct electron heating, minority ion heating, and current drive: (1) to employ the heating and current drive systems to give self-consistent pressure and current profiles leading to the desired advanced tokamak operating modes; (2) to minimize absorption of the fast waves by parasitic resonances, which limit current drive; (3) to optimize and control the spectrum of fast waves launched by the antenna array for the required mix of simultaneous heating and current drive. The paper addresses these issues using theoretical and computational tools developed at a number of institutions by benchmarking the computations against available experimental data and applying them to the specific case of TPX. (author). 6 refs, 3 figs

The Role of Electronic Excitations on Chemical Reaction Dynamics at Metal, Semiconductor and Nanoparticle Surfaces

Energy Technology Data Exchange (ETDEWEB)

Tully, John C. [Yale Univ., New Haven, CT (United States)

2017-06-10

Chemical reactions are often facilitated and steered when carried out on solid surfaces, essential for applications such as heterogeneous catalysis, solar energy conversion, corrosion, materials processing, and many others. A critical factor that can determine the rates and pathways of chemical reactions at surfaces is the efficiency and specificity of energy transfer; how fast does energy move around and where does it go? For reactions on insulator surfaces energy transfer generally moves in and out of vibrations of the adsorbed molecule and the underlying substrate. By contrast, on metal surfaces, metallic nanoparticles and semiconductors, another pathway for energy flow opens up, excitation and de-excitation of electrons. This so-called “nonadiabatic” mechanism often dominates the transfer of energy and can directly impact the course of a chemical reaction. Conventional computational methods such as molecular dynamics simulation do not account for this nonadiabatic behavior. The current DOE-BES funded project has focused on developing the underlying theoretical foundation and the computational methodology for the prediction of nonadiabatic chemical reaction dynamics at surfaces. The research has successfully opened up new methodology and new applications for molecular simulation. In particular, over the last three years, the “Electronic Friction” theory, pioneered by the PI, has now been developed into a stable and accurate computational method that is sufficiently practical to allow first principles “on-the-fly” simulation of chemical reaction dynamics at metal surfaces.

The numerical evaluation on non-radiative multiphonon transition rate from different electronic bases

International Nuclear Information System (INIS)

Zhu Bangfen.

1985-10-01

A numerical calculation on the non-radiative multiphonon transition probability based on the adiabatic approximation (AA) and the static approximation (SA) has been accomplished in a model of two electronic levels coupled to one phonon mode. The numerical results indicate that the spectra based on different approximations are generally different apart from those vibrational levels which are far below the classical crossing point. For large electron-phonon coupling constant, the calculated transition rates based on AA are more reliable; on the other hand, for small transition coupling the transition rates near or beyond the cross region are quite different for two approximations. In addition to the diagonal non-adiabatic potential, the mixing and splitting of the original static potential sheets are responsible for the deviation of the transition rates based on different approximations. The relationship between the transition matrix element and the vibrational level shift, the Huang-Rhys factor, the separation of the electronic levels and the electron-phonon coupling is analysed and discussed. (author)

Fast wave current drive on DIII-D

International Nuclear Information System (INIS)

deGrassie, J.S.; Petty, C.C.; Pinsker, R.I.; Forest, C.B.; Ikezi, H.; Prater, R.; Baity, F.W.; Callis, R.W.; Cary, W.P.; Chiu, S.C.; Doyle, E.J.; Ferguson, S.W.; Hoffman, D.J.; Jaeger, E.F.; Kim, K.W.; Lee, J.H.; Lin-Liu, Y.R.; Murakami, M.; ONeill, R.C.; Porkolab, M.; Rhodes, T.L.; Swain, D.W.

1996-01-01

The physics of electron heating and current drive with the fast magnetosonic wave has been demonstrated on DIII-D, in reasonable agreement with theoretical modeling. A recently completed upgrade to the fast wave capability should allow full noninductive current drive in steady state advanced confinement discharges and provide some current density profile control for the Advanced Tokamak Program. DIII-D now has three four-strap fast wave antennas and three transmitters, each with nominally 2 MW of generator power. Extensive experiments have been conducted with the first system, at 60 MHz, while the two newer systems have come into operation within the past year. The newer systems are configured for 60 to 120 MHz. The measured FWCD efficiency is found to increase linearly with electron temperature as γ=0.4x10 18 T e0 (keV) [A/m 2 W], measured up to central electron temperature over 5 keV. A newly developed technique for determining the internal noninductive current density profile gives efficiencies in agreement with this scaling and profiles consistent with theoretical predictions. Full noninductive current drive at 170 kA was achieved in a discharge prepared by rampdown of the Ohmic current. Modulation of microwave reflectometry signals at the fast wave frequency is being used to investigate fast wave propagation and damping. Additionally, rf pick-up probes on the internal boundary of the vessel provide a comparison with ray tracing codes, with clear evidence for a toroidally directed wave with antenna phasing set for current drive. copyright 1996 American Institute of Physics

Radially localized measurements of superthermal electrons using oblique electron cyclotron emission

International Nuclear Information System (INIS)

Preische, S.; Efthimion, P.C.; Kaye, S.M.

1996-05-01

It is shown that radial localization of optically tin Electron Cyclotron Emission from superthermal electrons can be imposed by observation of emission upshifted from the thermal cyclotron resonance in the horizontal midplane of a tokamak. A new and unique diagnostic has been proposed and operated to make radially localized measurements of superthermal electrons during Lower Hybrid Current Drive on the PBX-M tokamak. The superthermal electron density profile as well as moments of the electron energy distribution as a function of radius are measured during Lower Hybrid Current Drive. The time evolution of these measurements after the Lower Hybrid power is turned off are given and the observed behavior reflects the collisional isotropization of the energy distribution and radial diffusion of the spatial profile

Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Elkins, Madeline H.; Williams, Holly L. [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Neumark, Daniel M., E-mail: dneumark@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2016-05-14

The excited state relaxation dynamics of the solvated electron in H{sub 2}O and D{sub 2}O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H{sub 2}O and 102 ± 8 fs in D{sub 2}O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.

Isotope effect on hydrated electron relaxation dynamics studied with time-resolved liquid jet photoelectron spectroscopy

Science.gov (United States)

Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

2016-05-01

The excited state relaxation dynamics of the solvated electron in H2O and D2O are investigated using time-resolved photoelectron spectroscopy in a liquid microjet. The data show that the initial excited state decays on a time scale of 75 ± 12 fs in H2O and 102 ± 8 fs in D2O, followed by slower relaxation on time scales of 400 ± 70 fs and 390 ± 70 fs that are isotopically invariant within the precision of our measurements. Based on the time evolution of the transient signals, the faster and slower time constants are assigned to p → s internal conversion (IC) of the hydrated electron and relaxation on the ground electronic state, respectively. This assignment is consistent with the non-adiabatic mechanism for relaxation of the hydrated electron and yields an isotope effect of 1.4 ± 0.2 for IC of the hydrated electron.

Generation of runaway electrons during deterioration of lower hybrid power coupling in lower hybrid current drive plasmas in the HT-7 tokamak

International Nuclear Information System (INIS)

Chen, Z Y; Ju, H J; Zhu, J X; Li, M; Cai, W D; Liang, H F; Wan, B N; Shi, Y J; Xu, H D

2009-01-01

Efficient coupling of lower hybrid (LH) power from the wave launcher to the plasma is a very important issue in lower hybrid current drive (LHCD) experiments. The large unbalanced reflections in the grill trigger the LH protection system, which will trip the power, resulting in the reduction of the coupled LH power. The generation of runaway electrons has been investigated in LHCD plasmas with deterioration of LH coupling in the HT-7 tokamak. The deterioration of LH coupling results in an increase of the loop voltage and a more energetic fast electron population. These two effects favor the generation of a runaway population. It is found that most of the fast electrons generated by LH waves through parallel electron Landau damping were converted into a runaway population through the acceleration from the toroidal electric field when significant deterioration of LH coupling occurs.

Tensor-Train Split-Operator Fourier Transform (TT-SOFT) Method: Multidimensional Nonadiabatic Quantum Dynamics.

Science.gov (United States)

Greene, Samuel M; Batista, Victor S

2017-09-12

We introduce the "tensor-train split-operator Fourier transform" (TT-SOFT) method for simulations of multidimensional nonadiabatic quantum dynamics. TT-SOFT is essentially the grid-based SOFT method implemented in dynamically adaptive tensor-train representations. In the same spirit of all matrix product states, the tensor-train format enables the representation, propagation, and computation of observables of multidimensional wave functions in terms of the grid-based wavepacket tensor components, bypassing the need of actually computing the wave function in its full-rank tensor product grid space. We demonstrate the accuracy and efficiency of the TT-SOFT method as applied to propagation of 24-dimensional wave packets, describing the S 1 /S 2 interconversion dynamics of pyrazine after UV photoexcitation to the S 2 state. Our results show that the TT-SOFT method is a powerful computational approach for simulations of quantum dynamics of polyatomic systems since it avoids the exponential scaling problem of full-rank grid-based representations.

Fast wave current drive in DIII-D

International Nuclear Information System (INIS)

Petty, C.C.; Callis, R.W.; Chiu, S.C.; deGrassie, J.S.; Forest, C.B.; Freeman, R.L.; Gohil, P.; Harvey, R.W.; Ikezi, H.; Lin-Liu, Y.-R.

1995-02-01

The non-inductive current drive from fast Alfven waves launched by a directional four-element antenna was measured in the DIII-D tokamak. The fast wave frequency (60 MHz) was eight times the deuterium cyclotron frequency at the plasma center. An array of rf pickup loops at several locations around the torus was used to verify the directivity of the four-element antenna. Complete non-inductive current drive was achieved using a combination of fast wave current drive (FWCD) and electron cyclotron current drive (ECCD) in discharges for which the total plasma current was inductively ramped down from 400 to 170 kA. For discharges with steady plasma current, up to 110 kA of FWCD was inferred from an analysis of the loop voltage, with a maximum non-inductive current (FWCD, ECCD, and bootstrap) of 195 out of 310 kA. The FWCD efficiency increased linearly with central electron temperature. For low current discharges, the FWCD efficiency was degraded due to incomplete fast wave damping. The experimental FWCD was found to agree with predictions from the CURRAY ray-tracing code only when a parasitic loss of 4% per pass was included in the modeling along with multiple pass damping

Current-drive theory II: the lower-hybrid wave

International Nuclear Information System (INIS)

Fisch, N.J.

1986-01-01

The theory of current-drive seeks to predict the efficiency with which an external power source can produce current in a plasma torus. The theory, which is now well supported by experimental data, becomes especially simple in the important limit of lower-hybrid or electron-cyclotron waves interacting with superthermal electrons. The solution of an equation adjoint to the linearized Fokker-Planck equation gives both the steady-state and ramp-up current-drive efficiencies. Other phenomena, such as rf-induced runaway rates, rf-induced radiation, etc., may be calculated by this method, and analytical solutions have been obtained in several limiting cases. 12 refs

Two-level system in spin baths: Non-adiabatic dynamics and heat transport

Science.gov (United States)

Segal, Dvira

2014-04-01

We study the non-adiabatic dynamics of a two-state subsystem in a bath of independent spins using the non-interacting blip approximation, and derive an exact analytic expression for the relevant memory kernel. We show that in the thermodynamic limit, when the subsystem-bath coupling is diluted (uniformly) over many (infinite) degrees of freedom, our expression reduces to known results, corresponding to the harmonic bath with an effective, temperature-dependent, spectral density function. We then proceed and study the heat current characteristics in the out-of-equilibrium spin-spin-bath model, with a two-state subsystem bridging two thermal spin-baths of different temperatures. We compare the behavior of this model to the case of a spin connecting boson baths, and demonstrate pronounced qualitative differences between the two models. Specifically, we focus on the development of the thermal diode effect, and show that the spin-spin-bath model cannot support it at weak (subsystem-bath) coupling, while in the intermediate-strong coupling regime its rectifying performance outplays the spin-boson model.

Non-adiabatic quantum evolution: The S matrix as a geometrical phase factor

Energy Technology Data Exchange (ETDEWEB)

Saadi, Y., E-mail: S_yahiadz@yahoo.fr [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des Sciences, Université Ferhat Abbas de Sétif, Sétif 19000 (Algeria); Maamache, M. [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des Sciences, Université Ferhat Abbas de Sétif, Sétif 19000 (Algeria)

2012-03-19

We present a complete derivation of the exact evolution of quantum mechanics for the case when the underlying spectrum is continuous. We base our discussion on the use of the Weyl eigendifferentials. We show that a quantum system being in an eigenstate of an invariant will remain in the subspace generated by the eigenstates of the invariant, thereby acquiring a generalized non-adiabatic or Aharonov–Anandan geometric phase linked to the diagonal element of the S matrix. The modified Pöschl–Teller potential and the time-dependent linear potential are worked out as illustrations. -- Highlights: ► In this Letter we study the exact quantum evolution for continuous spectra problems. ► We base our discussion on the use of the Weyl eigendifferentials. ► We give a generalized Lewis and Riesenfeld phase for continuous spectra. ► This generalized phase or Aharonov–Anandan geometric phase is linked to the S matrix. ► The modified Pöschl–Teller and the linear potential are worked out as illustrations.

Two-level system in spin baths: Non-adiabatic dynamics and heat transport

Energy Technology Data Exchange (ETDEWEB)

Segal, Dvira [Chemical Physics Theory Group, Department of Chemistry, University of Toronto, 80 Saint George St., Toronto, Ontario M5S 3H6 (Canada)

2014-04-28

We study the non-adiabatic dynamics of a two-state subsystem in a bath of independent spins using the non-interacting blip approximation, and derive an exact analytic expression for the relevant memory kernel. We show that in the thermodynamic limit, when the subsystem-bath coupling is diluted (uniformly) over many (infinite) degrees of freedom, our expression reduces to known results, corresponding to the harmonic bath with an effective, temperature-dependent, spectral density function. We then proceed and study the heat current characteristics in the out-of-equilibrium spin-spin-bath model, with a two-state subsystem bridging two thermal spin-baths of different temperatures. We compare the behavior of this model to the case of a spin connecting boson baths, and demonstrate pronounced qualitative differences between the two models. Specifically, we focus on the development of the thermal diode effect, and show that the spin-spin-bath model cannot support it at weak (subsystem-bath) coupling, while in the intermediate-strong coupling regime its rectifying performance outplays the spin-boson model.

Current drive in a ponderomotive potential with sign reversal

International Nuclear Information System (INIS)

Fisch, N.J.; Dodin, I.Y.; Rax, J.M.

2003-01-01

Noninductive current drive can be accomplished through ponderomotive forces with high efficiency when the potential changes sign over the interaction region. The effect, which operates somewhat like a Maxwell demon, can be practiced upon both ions and electrons. The current-drive efficiencies, in principle, might be higher than those possible with conventional rf current-drive techniques. It remains, however, for us to identify how the effect might be implemented in a magnetic fusion device in a practical manner

Anomalous particle pinch for collisionless plasma

International Nuclear Information System (INIS)

Terry, P.W.

1989-01-01

The particle transport arising from the convection of nonadiabatic electron density by ion temperature gradient driven turbulence is examined when trapped electrons collide less often than a bounce period. In the lower temperature end of this regime, trapped electrons are collisional and the particle flux is outward (in the direction of the gradients). When the trapped electrons are collisionless, there is a temperature threshold above which the electron temperature gradient driven particle flux changes sign and becomes inward. The magnitude of the nonadiabatic electron contribution to the growth rate is found to be potentially of the same order as the ion contribution. 11 refs

Topology of a dissipative spin: Dynamical Chern number, bath-induced nonadiabaticity, and a quantum dynamo effect

Science.gov (United States)

Henriet, Loïc; Sclocchi, Antonio; Orth, Peter P.; Le Hur, Karyn

2017-02-01

We analyze the topological deformations of the ground state manifold of a quantum spin-1/2 in a magnetic field H =H (sinθ cosϕ ,sinθ sinϕ ,cosθ ) induced by a coupling to an ohmic quantum dissipative environment at zero temperature. From Bethe ansatz results and a variational approach, we confirm that the Chern number associated with the geometry of the reduced spin ground state manifold is preserved in the delocalized phase for α <1 . We report a divergence of the Berry curvature at αc=1 for magnetic fields aligned along the equator θ =π /2 . This divergence is caused by the complete quenching of the transverse magnetic field by the bath associated with a gap closing that occurs at the localization Kosterlitz-Thouless quantum phase transition in this model. Recent experiments in quantum circuits have engineered nonequilibrium protocols to access topological properties from a measurement of a dynamical Chern number defined via the out-of-equilibrium spin expectation values. Applying a numerically exact stochastic Schrödinger approach we find that, for a fixed field sweep velocity θ (t )=v t , the bath induces a crossover from (quasi)adiabatic to nonadiabatic dynamical behavior when the spin bath coupling α increases. We also investigate the particular regime H /ωc≪v /H ≪1 with large bath cutoff frequency ωc, where the dynamical Chern number vanishes already at α =1 /2 . In this regime, the mapping to an interacting resonance level model enables us to analytically describe the behavior of the dynamical Chern number in the vicinity of α =1 /2 . We further provide an intuitive physical explanation of the bath-induced breakdown of adiabaticity in analogy to the Faraday effect in electromagnetism. We demonstrate that the driving of the spin leads to the production of a large number of bosonic excitations in the bath, which strongly affect the spin dynamics. Finally, we quantify the spin-bath entanglement and formulate an analogy with an effective

Recent Improvements to the Control of the CTF3 High-Current Drive Beam

CERN Document Server

Constance, B; Gamba, D; Skowronski, P K

2013-01-01

In order to demonstrate the feasibility of the CLIC multiTeV linear collider option, the drive beam complex at the CLIC Test Facility (CTF3) at CERN is providing highcurrent electron pulses for a number of related experiments. By means of a system of electron pulse compression and bunch frequency multiplication, a fully loaded, 120 MeV linac is used to generate 140 ns electron pulses of around 28 Amperes. Subsequent deceleration of this high-current drive beam demonstrates principles behind the CLIC acceleration scheme, and produces 12 GHz RF power for experimental purposes. As the facility has progressed toward routine operation, a number of studies aimed at improving the drive beam performance have been carried out. Additional feedbacks, automated steering programs, and improved control of optics and dispersion have contributed to a more stable, reproducible drive beam with consequent benefits for the experiments.

Combined kinetic and transport modeling of radiofrequency current drive

International Nuclear Information System (INIS)

Dumont, R.; Giruzzi, G.; Barbato, E.

2000-07-01

A numerical model for predictive simulations of radiofrequency current drive in magnetically confined plasmas is developed. It includes the minimum requirements for a self consistent description of such regimes, i.e., a 3-D ,kinetic equation for the electron distribution function, 1-D heat and current transport equations, and resonant coupling between velocity space and configuration space dynamics, through suitable wave propagation equations. The model finds its full application in predictive studies of complex current profile control scenarios in tokamaks, aiming at the establishment of internal transport barriers by the simultaneous use of various radiofrequency current drive methods. The basic properties of this non-linear numerical system are investigated and illustrated by simulations applied to reversed magnetic shear regimes obtained by Lower Hybrid and Electron Cyclotron current drive for parameters typical of the Tore Supra tokamak. (authors)

3D Printed structural electronics: embedding and connecting electronic components into freeform electronic devices

NARCIS (Netherlands)

Maalderink, H.H.H.; Bruning, F.B.J.; Schipper, M.M.R. de; Werff, J.J.J. van der; Germs, W.W.C.; Remmers, J.J.C.; Meinders, E.R.

2018-01-01

The need for personalised and smart products drives the development of structural electronics with mass-customisation capability. A number of challenges need to be overcome in order to address the potential of complete free form manufacturing of electronic devices. One key challenge is the

3D Printed structural electronics : embedding and connecting electronic components into freeform electronic devices

NARCIS (Netherlands)

Maalderink, H.H.; Bruning, F.B.J.; de Schipper, M.R.; van der Werff, J.J.; Germs, W.C.; Remmers, J.J.C.; Meinders, E.R.

2018-01-01

The need for personalised and smart products drives the development of structural electronics with mass-customisation capability. A number of challenges need to be overcome in order to address the potential of complete free form manufacturing of electronic devices. One key challenge is the

Lower hybrid current drive in tokamak plasmas

International Nuclear Information System (INIS)

Ushigusa, Kenkichi

1999-03-01

Past ten years progress on Lower Hybrid Current Drive (LHCD) experiments have demonstrated the largest non-inductive current (3.6 MA, JT-60U), the longest current sustainment (2 hours, TRIAM-1M), non-inductive current drive at the highest density (n-bar e - 10 20 m -3 , ALCATOR-C) and the highest current drive efficiency (η CD = 3.5x10 19 m -2 A/W, JT-60). These results indicate that LHCD is one of the most promising methods to drive non-inductive current in the present tokamak plasmas. This paper presents recent experimental results on LHCD experiments. Basic theories of LH waves, the wave propagation and the current drive are briefly summarized. The main part of this paper describes several important results and their physical pictures on recent LHCD experiments; 1) the experimental set-up, 2) the current drive efficiency, 3) the control of current profile and MHD activities, 4) the global energy confinement, 5) the global power flow, 6) fast electron behavior, 7) interaction between LH waves and thermal/fast ions, 8) combination with other CD method. (author)

Fast wave current drive on DIII-D

International Nuclear Information System (INIS)

deGrassie, J.S.; Petty, C.C.; Pinsker, R.I.

1995-01-01

The physics of electron heating and current drive with the fast magnetosonic wave has been demonstrated on DIII-D, in reasonable agreement with theoretical modeling. A recently completed upgrade to the fast wave capability should allow full noninductive current drive in steady state advanced confinement discharges and provide some current density profile control for the Advanced Tokamak Program. DIII-D now has three four-strap fast wave antennas and three transmitters, each with nominally 2 MW of generator power. Extensive experiments have been conducted with the first system, at 60 MHz, while the two newer systems have come into operation within the past year. The newer systems are configured for 60 to 120 MHz. The measured FWCD efficiency is found to increase linearly with electron temperature as γ = 0.4 x 10 18 T eo (keV) [A/m 2 W], measured up to central electron temperature over 5 keV. A newly developed technique for determining the internal noninductive current density profile gives efficiencies in agreement with this scaling and profiles consistent with theoretical predictions. Full noninductive current drive at 170 kA was achieved in a discharge prepared by rampdown of the Ohmic current. Modulation of microwave reflectometry signals at the fast wave frequency is being used to investigate fast wave propagation and damping. Additionally, rf pick-up probes on the internal boundary of the vessel provide a comparison with ray tracing codes, with dear evidence for a toroidally directed wave with antenna phasing set for current drive. There is some experimental evidence for fast wave absorption by energetic beam ions at high cyclotron harmonic resonances

"Diffusion" region of magnetic reconnection: electron orbits and the phase space mixing

Science.gov (United States)

Kropotkin, Alexey P.

2018-05-01

The nonlinear dynamics of electrons in the vicinity of magnetic field neutral lines during magnetic reconnection, deep inside the diffusion region where the electron motion is nonadiabatic, has been numerically analyzed. Test particle orbits are examined in that vicinity, for a prescribed planar two-dimensional magnetic field configuration and with a prescribed uniform electric field in the neutral line direction. On electron orbits, a strong particle acceleration occurs due to the reconnection electric field. Local instability of orbits in the neighborhood of the neutral line is pointed out. It combines with finiteness of orbits due to particle trapping by the magnetic field, and this should lead to the effect of mixing in the phase space, and the appearance of dynamical chaos. The latter may presumably be viewed as a mechanism producing finite conductivity in collisionless plasma near the neutral line. That conductivity is necessary to provide violation of the magnetic field frozen-in condition, i.e., for magnetic reconnection to occur in that region.

Real-time mirror steering for improved closed loop neoclassical tearing mode suppression by electron cyclotron current drive in DIII-D

Energy Technology Data Exchange (ETDEWEB)

Kolemen, E., E-mail: ekolemen@pppl.gov [Princeton Plasma Physics Laboratory, PO Box 45, Princeton, NJ 08543-0451 (United States); Ellis, R. [Princeton Plasma Physics Laboratory, PO Box 45, Princeton, NJ 08543-0451 (United States); La Haye, R.J.; Humphreys, D.A.; Lohr, J.; Noraky, S.; Penaflor, B.G.; Welander, A.S. [General Atomics, PO Box 85608, San Diego, CA 92186-5608 (United States)

2013-11-15

Highlights: • We developed neoclassical tearing mode (NTM) control system for DIII-D, which uses six sets of real-time steerable mirrors in order to move the electron cyclotron current drive (ECCD) deposition location in plasma. • This algorithm accurately finds the NTM island location employing motional Stark effect EFIT MHD equilibrium reconstruction. • Successful NTM suppression and preemption has been achieved in DIII-D using this control system to automatically switches on and off gyrotrons when NTM is detected and rapidly align the NTM island and the ECCD deposition location. -- Abstract: The development and operation of the neoclassical tearing mode (NTM) avoidance and control system for DIII-D, which uses six sets of real-time steerable mirrors in order to move the electron cyclotron current drive (ECCD) deposition location in plasma, is described. The real-time DIII-D NTM control algorithm residing in the Plasma Control System (PCS) automatically detects an NTM by analysis of the Mirnov diagnostics, employs motional Stark effect (MSE) EFIT MHD equilibrium reconstruction to locate the rational q-surface where the NTM island can be found, then calculates the appropriate mirror position for alignment of the ECCD with the island using ray tracing. The control commands from PCS are sent to the electron cyclotron system to switch on and off or modulate the gyrotrons and to the steerable mirror system to move the steerable mirrors to the requested positions. Successful NTM suppression has been achieved in DIII-D using this control system to rapidly align the NTM island and the ECCD deposition location, and to actively maintain the alignment as plasma conditions change.

Advanced electric drives analysis, control, and modeling using MATLAB/Simulink

CERN Document Server

Mohan, Ned

2014-01-01

Advanced Electric Drives utilizes a physics-based approach to explain the fundamental concepts of modern electric drive control and its operation under dynamic conditions. Gives readers a "physical" picture of electric machines and drives without resorting to mathematical transformations for easy visualization Confirms the physics-based analysis of electric drives mathematically Provides readers with an analysis of electric machines in a way that can be easily interfaced to common power electronic converters and controlled using any control scheme Makes the MATLAB/Simulink files used in exampl

Lower hybrid current drive in shaped tokamaks

International Nuclear Information System (INIS)

Kesner, J.

1993-01-01

A time dependent lower hybrid current drive tokamak simulation code has been developed. This code combines the BALDUR tokamak simulation code and the Bonoli/Englade lower hybrid current drive code and permits the study of the interaction of lower hybrid current drive with neutral beam heating in shaped cross-section plasmas. The code is time dependent and includes the beam driven and bootstrap currents in addition to the current driven by the lower hybrid system. Examples of simulations are shown for the PBX-M experiment which include the effect of cross section shaping on current drive, ballooning mode stabilization by current profile control and sawtooth stabilization. A critical question in current drive calculations is the radial transport of the energetic electrons. The authors have developed a response function technique to calculate radial transport in the presence of an electric field. The consequences of the combined influences of radial diffusion and electric field acceleration are discussed

Soft Dielectric Elastomer Oscillators Driving Bioinspired Robots.

Science.gov (United States)

Henke, E-F Markus; Schlatter, Samuel; Anderson, Iain A

2017-12-01

Entirely soft robots with animal-like behavior and integrated artificial nervous systems will open up totally new perspectives and applications. To produce them, we must integrate control and actuation in the same soft structure. Soft actuators (e.g., pneumatic and hydraulic) exist but electronics are hard and stiff and remotely located. We present novel soft, electronics-free dielectric elastomer oscillators, which are able to drive bioinspired robots. As a demonstrator, we present a robot that mimics the crawling motion of the caterpillar, with an integrated artificial nervous system, soft actuators and without any conventional stiff electronic parts. Supplied with an external DC voltage, the robot autonomously generates all signals that are necessary to drive its dielectric elastomer actuators, and it translates an in-plane electromechanical oscillation into a crawling locomotion movement. Therefore, all functional and supporting parts are made of polymer materials and carbon. Besides the basic design of this first electronic-free, biomimetic robot, we present prospects to control the general behavior of such robots. The absence of conventional stiff electronics and the exclusive use of polymeric materials will provide a large step toward real animal-like robots, compliant human machine interfaces, and a new class of distributed, neuron-like internal control for robotic systems.

Photoinduced Ultrafast Intramolecular Excited-State Energy Transfer in the Silylene-Bridged Biphenyl and Stilbene (SBS) System: A Nonadiabatic Dynamics Point of View.

Science.gov (United States)

Wang, Jun; Huang, Jing; Du, Likai; Lan, Zhenggang

2015-07-09

The photoinduced intramolecular excited-state energy-transfer (EET) process in conjugated polymers has received a great deal of research interest because of its important role in the light harvesting and energy transport of organic photovoltaic materials in photoelectric devices. In this work, the silylene-bridged biphenyl and stilbene (SBS) system was chosen as a simplified model system to obtain physical insight into the photoinduced intramolecular energy transfer between the different building units of the SBS copolymer. In the SBS system, the vinylbiphenyl and vinylstilbene moieties serve as the donor (D) unit and the acceptor (A) unit, respectively. The ultrafast excited-state dynamics of the SBS system was investigated from the point of view of nonadiabatic dynamics with the surface-hopping method at the TDDFT level. The first two excited states (S1 and S2) are characterized by local excitations at the acceptor (vinylstilbene) and donor (vinylbiphenyl) units, respectively. Ultrafast S2-S1 decay is responsible for the intramolecular D-A excitonic energy transfer. The geometric distortion of the D moiety play an essential role in this EET process, whereas the A moiety remains unchanged during the nonadiabatic dynamics simulation. The present work provides a direct dynamical approach to understand the ultrafast intramolecular energy-transfer dynamics in SBS copolymers and other similar organic photovoltaic copolymers.

Performance Evaluation of Electronic Inductor-Based Adjustable Speed Drives with Respect to Line Current Interharmonics

DEFF Research Database (Denmark)

Soltani, Hamid; Davari, Pooya; Blaabjerg, Frede

2017-01-01

Electronic Inductor (EI)-based front-end rectifiers have a large potential to become the prominent next generation of Active Front End (AFE) topology used in many applications including Adjustable Speed Drives (ASDs) for systems having unidirectional power flow. The EI-based ASD is mostly...... attractive due to its improved harmonic performance compared to a conventional ASD. In this digest, the input currents of the EI-based ASD are investigated and compared with the conventional ASDs with respect to interharmonics, which is an emerging power quality topic. First, the main causes...... of the interharmonic distortions in the ASD applications are analyzed under balanced and unbalanced load conditions. Thereafter, the key role of the EI at the DC stage is investigated in terms of high impedance and current harmonics transfer. Obtained experiments and simulations for both EI-based and conventional ASD...

Runaway electron studies with hard x-ray and microwave diagnostics in the FT-2 lower hybrid current drive discharges

Science.gov (United States)

Shevelev, A. E.; Khilkevitch, E. M.; Lashkul, S. I.; Rozhdestvensky, V. V.; Pandya, S. P.; Plyusnin, V. V.; Altukhov, A. B.; Kouprienko, D. V.; Chugunov, I. N.; Doinikov, D. N.; Esipov, L. A.; Gin, D. B.; Iliasova, M. V.; Naidenov, V. O.; Polunovsky, I. A.; Sidorov, A. V.; Kiptily, V. G.

2018-01-01

Studies of the super-thermal and runaway electron behavior in ohmic and lower hybrid current drive FT-2 tokamak plasmas have been carried out using information obtained from measurements of hard x-ray spectra and non-thermal microwave radiation intensity at the frequency of 10 GHz and in the range of (53 ÷ 78) GHz. A gamma-ray spectrometer based on a scintillation detector with a LaBr3(Ce) crystal was used, which provides measurements at counting rates up to 107 s-1. Reconstruction of the energy distribution of RE interacting with the poloidal limiter of the tokamak chamber was made with application of the DeGaSum code. Super-thermal electrons accelerated up to 2 MeV by the LH waves at the high-frequency pumping of the plasma with low density ≤ft ~ 2  ×  1013 cm-3 and then up to 7 MeV by vortex electric field have been found. Experimental analysis of the runaway electron beam generation and evolution of their energy distribution in the FT-2 plasmas is presented in the article and compared with the numerical calculation of the maximum energy gained by runaway electrons for given plasma parameters. In addition, possible mechanisms for limiting the maximum energy gained by the runaway electrons are also calculated and described for a FT-2 plasma discharge.

Plasma simulation by macroscale, electromagnetic particle code and its application to current-drive by relativistic electron beam injection

International Nuclear Information System (INIS)

Tanaka, M.; Sato, T.

1985-01-01

A new implicit macroscale electromagnetic particle simulation code (MARC) which allows a large scale length and a time step in multi-dimensions is described. Finite mass electrons and ions are used with relativistic version of the equation of motion. The electromagnetic fields are solved by using a complete set of Maxwell equations. For time integration of the field equations, a decentered (backward) finite differencing scheme is employed with the predictor - corrector method for small noise and super-stability. It is shown both in analytical and numerical ways that the present scheme efficiently suppresses high frequency electrostatic and electromagnetic waves in a plasma, and that it accurately reproduces low frequency waves such as ion acoustic waves, Alfven waves and fast magnetosonic waves. The present numerical scheme has currently been coded in three dimensions for application to a new tokamak current-drive method by means of relativistic electron beam injection. Some remarks of the proper macroscale code application is presented in this paper

The CLIC Multi-Drive Beam Scheme

CERN Document Server

Corsini, R

1998-01-01

The CLIC study of an e+ / e- linear collider in the TeV energy range is based on Two-Beam Acceleration (TBA) in which the RF power needed to accelerate the beam is extracted from high intensity relativistic electron beams, the so-called drive beams. The generation, acceleration and transport of the high-intensity drive beams in an efficient and reliable way constitute a challenging task. An overview of a potentially very effective scheme is presented. It is based on the generation of trains of short bunches, accelerated sequentially in low frequency superconducting cavities in a c.w. mode, stored in an isochronous ring and combined at high energy by funnelling before injection by sectors into the drive linac for RF power production. The various systems of the complex are discussed.

Automotive mechatronics automotive networking, driving stability systems, electronics

CERN Document Server

2015-01-01

As the complexity of automotive vehicles increases this book presents operational and practical issues of automotive mechatronics. It is a comprehensive introduction to controlled automotive systems and provides detailed information of sensors for travel, angle, engine speed, vehicle speed, acceleration, pressure, temperature, flow, gas concentration etc. The measurement principles of the different sensor groups are explained and examples to show the measurement principles applied in different types. Contents Basics of mechatronics.- Architecture.- Electronic control unit.- Software development.- Basic principles of networking.- Automotive networking.- Bus systems.- Automotive sensors.- Sensor measuring principles.- Sensor types.- Electric actuators.- Electrohydraulic actuators.- Electronic transmission control.- Electronic transmission control unit.- Modules for transmission control.- Antilock braking system.- Traction control system.- Electronic stability program.- Automatic brake functions.- Hydraulic modu...

Model for ICRF fast wave current drive in self-consistent MHD equilibria

International Nuclear Information System (INIS)

Bonoli, P.T.; Englade, R.C.; Porkolab, M.; Fenstermacher, M.E.

1993-01-01

Recently, a model for fast wave current drive in the ion cyclotron radio frequency (ICRF) range was incorporated into the current drive and MHD equilibrium code ACCOME. The ACCOME model combines a free boundary solution of the Grad Shafranov equation with the calculation of driven currents due to neutral beam injection, lower hybrid (LH) waves, bootstrap effects, and ICRF fast waves. The equilibrium and current drive packages iterate between each other to obtain an MHD equilibrium which is consistent with the profiles of driven current density. The ICRF current drive package combines a toroidal full-wave code (FISIC) with a parameterization of the current drive efficiency obtained from an adjoint solution of the Fokker Planck equation. The electron absorption calculation in the full-wave code properly accounts for the combined effects of electron Landau damping (ELD) and transit time magnetic pumping (TTMP), assuming a Maxwellian (or bi-Maxwellian) electron distribution function. Furthermore, the current drive efficiency includes the effects of particle trapping, momentum conserving corrections to the background Fokker Planck collision operator, and toroidally induced variations in the parallel wavenumbers of the injected ICRF waves. This model has been used to carry out detailed studies of advanced physics scenarios in the proposed Tokamak Physics Experiment (TPX). Results are shown, for example, which demonstrate the possibility of achieving stable equilibria at high beta and high bootstrap current fraction in TPX. Model results are also shown for the proposed ITER device

Lower hybrid current drive in tokamak plasmas

Energy Technology Data Exchange (ETDEWEB)

Ushigusa, Kenkichi [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment

1999-03-01

Past ten years progress on Lower Hybrid Current Drive (LHCD) experiments have demonstrated the largest non-inductive current (3.6 MA, JT-60U), the longest current sustainment (2 hours, TRIAM-1M), non-inductive current drive at the highest density (n-bar{sub e} - 10{sup 20}m{sup -3}, ALCATOR-C) and the highest current drive efficiency ({eta}{sub CD} = 3.5x10{sup 19} m{sup -2}A/W, JT-60). These results indicate that LHCD is one of the most promising methods to drive non-inductive current in the present tokamak plasmas. This paper presents recent experimental results on LHCD experiments. Basic theories of LH waves, the wave propagation and the current drive are briefly summarized. The main part of this paper describes several important results and their physical pictures on recent LHCD experiments; 1) the experimental set-up, 2) the current drive efficiency, 3) the control of current profile and MHD activities, 4) the global energy confinement, 5) the global power flow, 6) fast electron behavior, 7) interaction between LH waves and thermal/fast ions, 8) combination with other CD method. (author)

Phase and amplitude stability of a pulsed RF system on the example of the CLIC drive beam LINAC

CERN Document Server

AUTHOR|(CDS)2132320; Prof. BANTEL, Michael

The CLIC drive beam accelerator consists of the Drive Beam Injector (DBI) and two Drive Beam Linacs (DBLs). The drive beam injector is composed of a thermionic electron source, 3 Sub Harmonic Bunchers (SHBs), a pre-buncher, and several acceleration structures. In the electron source the DC electron beam is produced from a thermionic cathode. The following buncher cavities group ("bunch") the electrons to be accelerated by RF later on. Each electron bunch has an energy of 140 keV, a length of 3 mm, and a charge qb = 8.4 nC. Afterwards the electrons are accelerated in the 1 GHz accelerating structures up to 50MeV. The pulsed Radio Frequency (RF) power for this acceleration is provided by 1 GHz, 20MW modulator-klystron units, one per acceleration structure. A klystron is an RF amplifier based on a linear-beam vacuum tube. The high voltage modulator supplies the acceleration voltage to this tube. A DC electron beam gets modulated with an input signal, the modulation enhances in a drift space, and finally the powe...

Ab initio/interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions

International Nuclear Information System (INIS)

Thompson, K.; Martinez, T.J.

1999-01-01

We present a new approach to first-principles molecular dynamics that combines a general and flexible interpolation method with ab initio evaluation of the potential energy surface. This hybrid approach extends significantly the domain of applicability of ab initio molecular dynamics. Use of interpolation significantly reduces the computational effort associated with the dynamics over most of the time scale of interest, while regions where potential energy surfaces are difficult to interpolate, for example near conical intersections, are treated by direct solution of the electronic Schroedinger equation during the dynamics. We demonstrate the concept through application to the nonadiabatic dynamics of collisional electronic quenching of Li(2p). Full configuration interaction is used to describe the wave functions of the ground and excited electronic states. The hybrid approach agrees well with full ab initio multiple spawning dynamics, while being more than an order of magnitude faster. copyright 1999 American Institute of Physics

Control of neoclassical tearing mode by electron cyclotron current drive and non-resonant helical field application in ITER

International Nuclear Information System (INIS)

Taniguchi, Satoshi; Yamazaki, Kozo; Oishi, Tetsutarou; Arimoto, Hideki; Shoji, Tatsuo

2010-01-01

On tokamak plasmas like ITER, it is necessary to stabilize neoclassical tearing mode (NTM) because the NTM reduces plasma temperature and fusion power output. For the analysis of stabilizing NTM in fusion plasmas, the electron cyclotron current drive (ECCD) and the non-resonant external helical field (NRHF) application are simulated using the 1.5-dimensional equilibrium/transport simulation code (TOTAL code). The 3/2 NTM is stabilized by only external helical field, but the 2/1 mode is not stabilized by only external helical field in the present model. The stabilization time becomes shorter by the combination of ECCD and NRHF than that by ECCD alone. (author)

A model for the advantage of early electron cyclotron current drive in the suppression of neoclassical tearing modes

International Nuclear Information System (INIS)

Lazaros, Avrilios; Maraschek, Marc; Zohm, Hartmut

2007-01-01

An analytic model for the advantage of the early application of electron cyclotron current drive (ECCD) in the suppression of neoclassical tearing modes (NTMs) is presented. The improved performance of early ECCD is attributed to the second (smaller) saturation island width, which appears for sufficiently small (relative to the ECCD deposition width) critical island widths, in the strongly nonlinear growth rate profile. The operational range for the advantage of early ECCD is obtained, and it is shown that it is favored by broad deposition profiles. The preliminary experimental results in ASDEX Upgrade [H. Zohm et al., Nucl. Fusion 41, 197 (2001)] are consistent with the present model

Electron cyclotron current drive experiments in LHCD plasmas using a remote steering antenna on the TRIAM-1M tokamak

International Nuclear Information System (INIS)

Idei, H.; Hanada, K.; Zushi, H.; Ohkubo, K.; Hasegawa, M.; Kubo, S.; Nishi, S.; Fukuyama, A.; Sato, K.N.; Nakamura, K.; Sakamoto, M.; Iyomasa, A.; Kawasaki, S.; Nakashima, H.; Higashijima, A.; Notake, T.; Shimozuma, T.; Ito, S.; Hoshika, H.; Maezono, N.; Nakashima, K.; Ogawa, M.

2006-01-01

A remote steering antenna was recently developed for electron cyclotron heating and current drive (ECH/ECCD) experiments on the TRIAM-1M tokamak. This is the first application of the remote steering antenna concept for ECH/ECCD experiments, which have conditions relevant to the International Thermonuclear Experimental Reactor (ITER). Fundamental ECH and ECCD experiments were conducted in the ITER frequency from the low field using this antenna system. In addition to the angles near 0 0 , the launcher was a symmetric direction antenna with an extended steering-angle capability of ±(8 0 -19 0 ). The output beam from the antenna was a well-defined Gaussian with a proper steering angle. The Gaussian content and the steering-angle accuracy were 0.85 and -0.5 0 , respectively. The high power tests measured the antenna transmission efficiency at 0.90-0.94. The efficiencies obtained in the low and high power tests were consistent with the calculations using higher-order modes. In order to excite the pure O/X-modes in the oblique injection, two polarizers were used to control the elliptical polarization of the incident beam for the ECCD experiments. The fundamental O/X-mode ECH/ECCD was applied to lower hyrid current drive plasmas at the optimized incident polarization. In the X-mode experiment, at medium density (∼1 x 10 19 m -3 ), clear differences in the plasma current and the hard x-ray intensity were observed between the co- and counter-steering injections due to the ECCD effect on the coupling of forward fast electrons

CLIC Drive Beam Position Monitor

CERN Document Server

Smith, S; Gudkov, D; Soby, L; Syratchev, I

2011-01-01

CLIC, an electron-positron linear collider proposed to probe the TeV energy scale, is based on a two-beam scheme where RF power to accelerate a high energy luminosity beam is extracted from a high current drive beam. The drive beam is efficiently generated in a long train at modest frequency and current then compressed in length and multiplied in frequency via bunch interleaving. The drive beam decelerator requires >40000 quadrupoles, each holding a beam position monitor (BPM). Though resolution requirements are modest (2 microns) these BPMs face several challenges. They must be compact and inexpensive. They must operate below waveguide cutoff to insure locality of position signals, ruling out processing at the natural 12 GHz bunch spacing frequency. Wakefields must be kept low. We find compact conventional stripline BPM with signals processed below 40 MHz can meet requirements. Choices of mechanical design, operating frequency, bandwidth, calibration and processing algorithm are presented. Calculations of wa...

Hamiltonian analysis of fast wave current drive in tokamak plasmas

Energy Technology Data Exchange (ETDEWEB)

Becoulet, A; Fraboulet, D; Giruzzi, G; Moreau, D; Saoutic, B [Association Euratom-CEA, Centre d` Etudes de Cadarache, 13 - Saint-Paul-lez-Durance (France). Dept. de Recherches sur la Fusion Controlee; Chinardet, J [CISI Ingenierie, Centre d` Etudes de Cadarache, 13 - Saint-Paul-lez-Durance (France)

1993-12-01

The Hamiltonian formalism is used to analyze the direct resonant interaction between the fast magnetosonic wave and the electrons in a tokamak plasma. The intrinsic stochasticity of the electron phase space trajectories is derived, and together with extrinsic de-correlation processes, assesses the validity of the quasilinear approximation for the kinetic studies of fast wave current drive (FWCD). A full-wave resolution of the Maxwell-Vlasov set of equations provides the exact pattern of the wave fields in a complete tokamak geometry, for a realistic antenna spectrum. The local quasilinear diffusion tensor is derived from the wave fields, and is used for a computation of the driven current and deposited power profiles, the current drive efficiency, including possible non-linear effects in the kinetic equation. Several applications of FWCD on existing and future machines are given, as well as results concerning combination of FWCD with other non inductive current drive methods. An analytical expression for the current drive efficiency is given in the high single-pass absorption regimes. (authors). 20 figs., 1 tab., 26 refs.

Hamiltonian analysis of fast wave current drive in tokamak plasmas

International Nuclear Information System (INIS)

Becoulet, A.; Fraboulet, D.; Giruzzi, G.; Moreau, D.; Saoutic, B.

1993-12-01

The Hamiltonian formalism is used to analyze the direct resonant interaction between the fast magnetosonic wave and the electrons in a tokamak plasma. The intrinsic stochasticity of the electron phase space trajectories is derived, and together with extrinsic de-correlation processes, assesses the validity of the quasilinear approximation for the kinetic studies of fast wave current drive (FWCD). A full-wave resolution of the Maxwell-Vlasov set of equations provides the exact pattern of the wave fields in a complete tokamak geometry, for a realistic antenna spectrum. The local quasilinear diffusion tensor is derived from the wave fields, and is used for a computation of the driven current and deposited power profiles, the current drive efficiency, including possible non-linear effects in the kinetic equation. Several applications of FWCD on existing and future machines are given, as well as results concerning combination of FWCD with other non inductive current drive methods. An analytical expression for the current drive efficiency is given in the high single-pass absorption regimes. (authors). 20 figs., 1 tab., 26 refs

A survey of electron Bernstein wave heating and current drive potential for spherical tokamaks

Science.gov (United States)

Urban, Jakub; Decker, Joan; Peysson, Yves; Preinhaelter, Josef; Shevchenko, Vladimir; Taylor, Gary; Vahala, Linda; Vahala, George

2011-08-01

The electron Bernstein wave (EBW) is typically the only wave in the electron cyclotron (EC) range that can be applied in spherical tokamaks for heating and current drive (H&CD). Spherical tokamaks (STs) operate generally in high-β regimes, in which the usual EC O- and X-modes are cut off. In this case, EBWs seem to be the only option that can provide features similar to the EC waves—controllable localized H&CD that can be used for core plasma heating as well as for accurate plasma stabilization. The EBW is a quasi-electrostatic wave that can be excited by mode conversion from a suitably launched O- or X-mode; its propagation further inside the plasma is strongly influenced by the plasma parameters. These rather awkward properties make its application somewhat more difficult. In this paper we perform an extensive numerical study of EBW H&CD performance in four typical ST plasmas (NSTX L- and H-mode, MAST Upgrade, NHTX). Coupled ray-tracing (AMR) and Fokker-Planck (LUKE) codes are employed to simulate EBWs of varying frequencies and launch conditions, which are the fundamental EBW parameters that can be chosen and controlled. Our results indicate that an efficient and universal EBW H&CD system is indeed viable. In particular, power can be deposited and current reasonably efficiently driven across the whole plasma radius. Such a system could be controlled by a suitably chosen launching antenna vertical position and would also be sufficiently robust.

Stabilization of neoclassical tearing modes by electron cyclotron current drive in JT-60U

International Nuclear Information System (INIS)

Isayama, A.; Oyama, N.; Urano, H.; Suzuki, T.; Takechi, M.; Hayashi, N.; Nagasaki, K.; Kamada, Y.; Ide, S.; Ozeki, T.

2007-01-01

Results of active control of neoclassical tearing modes (NTMs) by electron cyclotron current drive (ECCD) in JT-60U are described. Growth of an NTM with poloidal mode number m = 3 and toroidal mode number n = 2 has been suppressed by ECCD inside the sawtooth inversion radius in the co-direction, showing the possibility of the coexistence of sawtooth oscillations and a small-amplitude m/n = 3/2 NTM without large confinement degradation. Stabilization of an m/n = 2/1 NTM by ECCD at the mode rational surface has been demonstrated with a small ratio of the current density driven by the electron cyclotron (EC) wave to the local bootstrap current density (∼ 0.5). In addition, dependence of the stabilization effect on ECCD location has been investigated in detail. It has been found that an m/n = 2/1 NTM can be completely stabilized with the misalignment of the ECCD location less than about half of the full island width, and that the m/n = 2/1 NTM is destabilized with the misalignment comparable to the full island width. Time-dependent, self-consistent simulation of magnetic island evolution using the TOPICS code has shown that the stabilization and destabilization of an m/n = 2/1 NTM are well reproduced with the same set of coefficients of the modified Rutherford equation. The TOPICS simulation has also clarified that EC wave power required for complete stabilization can be significantly reduced by narrowing the ECCD deposition width

Extended driving impairs nocturnal driving performances.

Directory of Open Access Journals (Sweden)

Patricia Sagaspe

Full Text Available Though fatigue and sleepiness at the wheel are well-known risk factors for traffic accidents, many drivers combine extended driving and sleep deprivation. Fatigue-related accidents occur mainly at night but there is no experimental data available to determine if the duration of prior driving affects driving performance at night. Participants drove in 3 nocturnal driving sessions (3-5 am, 1-5 am and 9 pm-5 am on open highway. Fourteen young healthy men (mean age [+/-SD] = 23.4 [+/-1.7] years participated Inappropriate line crossings (ILC in the last hour of driving of each session, sleep variables, self-perceived fatigue and sleepiness were measured. Compared to the short (3-5 am driving session, the incidence rate ratio of inappropriate line crossings increased by 2.6 (95% CI, 1.1 to 6.0; P<.05 for the intermediate (1-5 am driving session and by 4.0 (CI, 1.7 to 9.4; P<.001 for the long (9 pm-5 am driving session. Compared to the reference session (9-10 pm, the incidence rate ratio of inappropriate line crossings were 6.0 (95% CI, 2.3 to 15.5; P<.001, 15.4 (CI, 4.6 to 51.5; P<.001 and 24.3 (CI, 7.4 to 79.5; P<.001, respectively, for the three different durations of driving. Self-rated fatigue and sleepiness scores were both positively correlated to driving impairment in the intermediate and long duration sessions (P<.05 and increased significantly during the nocturnal driving sessions compared to the reference session (P<.01. At night, extended driving impairs driving performances and therefore should be limited.

Teens' distracted driving behavior: Prevalence and predictors.

Science.gov (United States)

Gershon, Pnina; Zhu, Chunming; Klauer, Sheila G; Dingus, Tom; Simons-Morton, Bruce

2017-12-01

Teen drivers' over-involvement in crashes has been attributed to a variety of factors, including distracted driving. With the rapid development of in-vehicle systems and portable electronic devices, the burden associated with distracted driving is expected to increase. The current study identifies predictors of secondary task engagement among teenage drivers and provides basis for interventions to reduce distracted driving behavior. We described the prevalence of secondary tasks by type and driving conditions and evaluated the associations between the prevalence of secondary task engagement, driving conditions, and selected psychosocial factors. The private vehicles of 83 newly-licensed teenage drivers were equipped with Data Acquisition Systems (DAS), which documented driving performance measures, including secondary task engagement and driving environment characteristics. Surveys administered at licensure provided psychosocial measures. Overall, teens engaged in a potentially distracting secondary task in 58% of sampled road clips. The most prevalent types of secondary tasks were interaction with a passenger, talking/singing (no passenger), external distraction, and texting/dialing the cell phone. Secondary task engagement was more prevalent among those with primary vehicle access and when driving alone. Social norms, friends' risky driving behaviors, and parental limitations were significantly associated with secondary task prevalence. In contrast, environmental attributes, including lighting and road surface conditions, were not associated with teens' engagement in secondary tasks. Our findings indicated that teens engaged in secondary tasks frequently and poorly regulate their driving behavior relative to environmental conditions. Practical applications: Peer and parent influences on secondary task engagement provide valuable objectives for countermeasures to reduce distracted driving among teenage drivers. Copyright © 2017 National Safety Council and

Tomography of the fast electron Bremsstrahlung emission during lower hybrid current drive on Tore Supra

Energy Technology Data Exchange (ETDEWEB)

Peysson, Y.; Imbeaux, F. [Association Euratom-CEA, CEA/Cadarache, Dept. de Recherches sur la Fusion Controlee (DRFC), 13 - Saint-Paul-lez-Durance (France)

1999-04-01

A new tomography dedicated to detailed studies of the fast electron Bremsstrahlung emission in the hard X-ray (HXR) energy range between 20 and 200 keV during lower hybrid (LH) current drive experiments on the TORE SUPRA tokamak [Equipe TORE SUPRA, in Proceedings of the 15. Conference on Plasma Physics and Controlled Nuclear Fusion Research, Seville (International Atomic Energy Agency, Vienna, 1995), 1, AIEA-CN-60 / A1-5, p. 105] is presented. Radiation detection is performed by cadmium telluride(CdTe) semiconductors, which have most of the desirable features for a powerful diagnosing of magnetically confined hot plasmas - compact size, high X-ray stopping efficiency, fast timing characteristics, good energy resolution, no sensitivity to magnetic field, reasonable susceptibility to performance degradation from neutron/{gamma}-induced damages. This instrument is made of two independent cameras viewing a poloidal cross-section of the plasma, with respectively 21 and 38 detectors. A coarse spectrometry - 8 energy channels - is carried out for each chord, with an energy resolution of 20 keV. The spatial resolution in the core of the plasma is 4-5 cm, while the time sampling may be lowered down to of 2-4 ms. Powerful inversion techniques based on maximum entropy or regularization algorithms take fully advantage of the large number of line-integrated measurements for very robust estimates of the local HXR profiles as a function of time and photon energy. A detailed account of main characteristics and performances of the diagnostic is reported as well as preliminary results on LH current drive experiments. (authors)

Tomography of the fast electron Bremsstrahlung emission during lower hybrid current drive on Tore Supra

International Nuclear Information System (INIS)

Peysson, Y.; Imbeaux, F.

1999-04-01

A new tomography dedicated to detailed studies of the fast electron Bremsstrahlung emission in the hard X-ray (HXR) energy range between 20 and 200 keV during lower hybrid (LH) current drive experiments on the TORE SUPRA tokamak [Equipe TORE SUPRA, in Proceedings of the 15. Conference on Plasma Physics and Controlled Nuclear Fusion Research, Seville (International Atomic Energy Agency, Vienna, 1995), 1, AIEA-CN-60 / A1-5, p. 105] is presented. Radiation detection is performed by cadmium telluride (CdTe) semiconductors, which have most of the desirable features for a powerful diagnosing of magnetically confined hot plasmas - compact size, high X-ray stopping efficiency, fast timing characteristics, good energy resolution, no sensitivity to magnetic field, reasonable susceptibility to performance degradation from neutron/γ-induced damages. This instrument is made of two independent cameras viewing a poloidal cross-section of the plasma, with respectively 21 and 38 detectors. A coarse spectrometry - 8 energy channels - is carried out for each chord, with an energy resolution of 20 keV. The spatial resolution in the core of the plasma is 4-5 cm, while the time sampling may be lowered down to of 2-4 ms. Powerful inversion techniques based on maximum entropy or regularization algorithms take fully advantage of the large number of line-integrated measurements for very robust estimates of the local HXR profiles as a function of time and photon energy. A detailed account of main characteristics and performances of the diagnostic is reported as well as preliminary results on LH current drive experiments. (authors)

Implementation of surface hopping molecular dynamics using semiempirical methods

International Nuclear Information System (INIS)

Fabiano, E.; Keal, T.W.; Thiel, W.

2008-01-01

A molecular dynamics driver and surface hopping algorithm for nonadiabatic dynamics has been implemented in a development version of the MNDO semiempirical electronic structure package. The required energies, gradients and nonadiabatic couplings are efficiently evaluated on the fly using semiempirical configuration interaction methods. The choice of algorithms for the time evolution of the nuclear motion and quantum amplitudes is discussed, and different schemes for the computation of nonadiabatic couplings are analysed. The importance of molecular orbital tracking and electronic state following is underlined in the context of configuration interaction calculations. The method is applied to three case studies (ethylene, methaniminium ion, and methanimine) using the orthogonalization corrected OM2 Hamiltonian. In all three cases decay times and dynamics paths similar to high-level ab initio results are obtained

Experimental investigation of the trapping and energy loss mechanisms of intense relativistic electron rings in hydrogen gas and plasma

International Nuclear Information System (INIS)

Smith, A.C. Jr.

1977-01-01

The results of an experimental study on the trapping and energy loss mechanisms of intense, relativistic electron rings confined in Astron-like magnetic field geometries are presented. The work is subdivided into four sections: gas trapping; average ring electron energetics; plasma trapping, and hollow-beam cusp-injection into gas and plasma. The mechanisms by which the injected beam coalesces into a current ring in the existing Cornell RECE-Berta facility are considered. To investigate the nature of ring electron energy loss mechanisms following completion of the trapping process, a diagnostic was developed utilizing multi-foil X-ray absorption spectroscopy to analyze the Bremsstrahlung generated by the electrons as they impinge upon a thin tungsten wire target suspended in the circulating current. Finally, a set of preliminary experimental results is presented in which an annular electron beam was passed through a coaxial, non-adiabatic magnetic cusp located at one end of a magnetic mirror well

Power and momentum relations in rotating magnetic field current drive

Energy Technology Data Exchange (ETDEWEB)

Hugrass, W N [Flinders Univ. of South Australia, Bedford Park. School of Physical Sciences

1984-01-01

The use of rotating magnetic fields (RMF) to drive steady currents in plasmas involves a transfer of energy and angular momentum from the radio frequency source feeding the rotating field coils to the plasma. The power-torque relationships in RMF systems are discussed and the analogy between RMF current drive and the polyphase induction motor is explained. The general relationship between the energy and angular momentum transfer is utilized to calculate the efficiency of the RMF plasma current drive. It is found that relatively high efficiencies can be achieved in RMF current drive because of the low phase velocity and small slip between the rotating field and the electron fluid.

Electron beam requirements for soft x-ray/XUV free-electron lasers

International Nuclear Information System (INIS)

Goldstein, J.C.

1987-01-01

A discussion of the electron beam quality (peak current, energy spread, and transverse emittance) required to drive short wavelength free-electron lasers in the XUV (10-100 nm) and soft x-ray (<10 nm) optical wavelength ranges is presented

SLAC collider injector, RF-drive synchronization and trigger electronics, and 15-AMP thermionic-gun development

International Nuclear Information System (INIS)

Koontz, R.; Miller, R.; McKinney, T.; Wilmunder, A.

1981-02-01

The rf drive system for the Collider Injector Development (EL CID) including laser timing, subharmonic buncher drive and phasing, and accelerator rf drive is described. The rf synchronized master trigger generation scheme for the collider is outlined. Also, a 15 amp peak, 200 kV short pulse gun being developed at SLAC as a backup to the Sinclair laser gun is described

Nonadiabatic laser-induced alignment of molecules: Reconstructing ⟨ θ⟩ directly from ⟨ θ2D⟩ by Fourier analysis.

Science.gov (United States)

Søndergaard, Anders Aspegren; Shepperson, Benjamin; Stapelfeldt, Henrik

2017-07-07

We present an efficient, noise-robust method based on Fourier analysis for reconstructing the three-dimensional measure of the alignment degree, ⟨cos 2 θ⟩, directly from its two-dimensional counterpart, ⟨cos 2 θ 2D ⟩. The method applies to nonadiabatic alignment of linear molecules induced by a linearly polarized, nonresonant laser pulse. Our theoretical analysis shows that the Fourier transform of the time-dependent ⟨cos 2 θ 2D ⟩ trace over one molecular rotational period contains additional frequency components compared to the Fourier transform of ⟨cos 2 θ⟩. These additional frequency components can be identified and removed from the Fourier spectrum of ⟨cos 2 θ 2D ⟩. By rescaling of the remaining frequency components, the Fourier spectrum of ⟨cos 2 θ⟩ is obtained and, finally, ⟨cos 2 θ⟩ is reconstructed through inverse Fourier transformation. The method allows the reconstruction of the ⟨cos 2 θ⟩ trace from a measured ⟨cos 2 θ 2D ⟩ trace, which is the typical observable of many experiments, and thereby provides direct comparison to calculated ⟨cos 2 θ⟩ traces, which is the commonly used alignment metric in theoretical descriptions. We illustrate our method by applying it to the measurement of nonadiabatic alignment of I 2 molecules. In addition, we present an efficient algorithm for calculating the matrix elements of cos 2 θ 2D and any other observable in the symmetric top basis. These matrix elements are required in the rescaling step, and they allow for highly efficient numerical calculation of ⟨cos 2 θ 2D ⟩ and ⟨cos 2 θ⟩ in general.

Management of scientific information with Google Drive.

Science.gov (United States)

Kubaszewski, Łukasz; Kaczmarczyk, Jacek; Nowakowski, Andrzej

2013-09-20

The amount and diversity of scientific publications requires a modern management system. By "management" we mean the process of gathering interesting information for the purpose of reading and archiving for quick access in future clinical practice and research activity. In the past, such system required physical existence of a library, either institutional or private. Nowadays in an era dominated by electronic information, it is natural to migrate entire systems to a digital form. In the following paper we describe the structure and functions of an individual electronic library system (IELiS) for the management of scientific publications based on the Google Drive service. Architecture of the system. Architecture system consists of a central element and peripheral devices. Central element of the system is virtual Google Drive provided by Google Inc. Physical elements of the system include: tablet with Android operating system and a personal computer, both with internet access. Required software includes a program to view and edit files in PDF format for mobile devices and another to synchronize the files. Functioning of the system. The first step in creating a system is collection of scientific papers in PDF format and their analysis. This step is performed most frequently on a tablet. At this stage, after being read, the papers are cataloged in a system of folders and subfolders, according to individual demands. During this stage, but not exclusively, the PDF files are annotated by the reader. This allows the user to quickly track down interesting information in review or research process. Modification of the document title is performed at this stage, as well. Second element of the system is creation of a mirror database in the Google Drive virtual memory. Modified and cataloged papers are synchronized with Google Drive. At this stage, a fully functional scientific information electronic library becomes available online. The third element of the system is a

Studies on fast wave current drive in the JAERI tokamaks

International Nuclear Information System (INIS)

Kimura, H.; Yamamoto, T.; Fujii, T.; Kawashima, H.; Tamai, H.; Saigusa, M.; Imai, T.; Hamamatsu, K.; Fukuyama, A.

1991-01-01

Fast wave electron heating experiment (FWEH) on JFT-2M and JT-60 and analysis of fast wave current drive (FWCD) ability on JT-60U are presented. In the JFT-2M, absorption of fast waves have been investigated by using a phased four-loop antenna array. The absorption of the fast waves has been studied for various plasma parameters by using combination of other additional heating methods such as electron cyclotron heating (ECH) and ion cyclotron heating. It is shown that the absorption efficiency estimated from various methods well correlates with one calculated theoretically in single pass damping. Interaction of the fast waves with fast electrons in combination with ECH has been examined through the measurement of non-thermal electron cyclotron emission (ECE). The observed ECE during FWEH is well explained by the theoretical model, which indicates generation of the appreciable energetic fast electrons by the fast waves. New four-loop array antennas have been employed to improve the absorption of unidirectionally-propagating waves. Characteristics of antenna loading resistance can be reproduced by a coupling calculation code. In JT-60, FWEH experiment in combination with lower hybrid current drive was performed. Power absorption efficiency of fast wave is substantially improved in combination with LHCD of relatively low power for both phasing modes. Bulk electron heating is observed with high-k // mode and coupling with fast electron is confirmed in hard X-ray emission with low-k // mode. The results are consistent with theoretical prediction based on 1.D full wave code. Synergetic effects between FWEH and LHCD are found. Coupling calculation indicates that eight-loop antenna is favourable for keeping high directivity in the required N // -range. Current drive efficiency is calculated with 1-D full wave code including trapped particle effects and higher harmonic ion cyclotron damping

A comprehensive gyrokinetic description of global electrostatic microinstabilities in a tokamak

Science.gov (United States)

Chowdhury, J.; Ganesh, R.; Brunner, S.; Vaclavik, J.; Villard, L.; Angelino, P.

2009-05-01

It is believed that low frequency microinstabilities such as ion temperature gradient (ITG) driven modes and trapped electron modes (TEMs) are largely responsible for the experimentally observed anomalous transport via the ion and electron channels in a tokamak. In the present work, a comprehensive global linear gyrokinetic model incorporating fully kinetic (trapped and passing) electrons and ions, actual ion to electron mass ratio, radial coupling, and profile variation is used to investigate the ITG driven modes and pure TEMs. These modes are found to exhibit multiscale structures in the presence of nonadiabatic passing electrons. The multiscale structure is related to the large nonadiabaticity of electrons in the vicinity of mode rational magnetic surfaces and leads to reduced mixing length estimates of transport compared to those obtained from adiabatic electron models.

RF current drive and plasma fluctuations

International Nuclear Information System (INIS)

Peysson, Yves; Decker, Joan; Morini, L; Coda, S

2011-01-01

The role played by electron density fluctuations near the plasma edge on rf current drive in tokamaks is assessed quantitatively. For this purpose, a general framework for incorporating density fluctuations in existing modelling tools has been developed. It is valid when rf power absorption takes place far from the fluctuating region of the plasma. The ray-tracing formalism is modified in order to take into account time-dependent perturbations of the density, while the Fokker–Planck solver remains unchanged. The evolution of the electron distribution function in time and space under the competing effects of collisions and quasilinear diffusion by rf waves is determined consistently with the time scale of fluctuations described as a statistical process. Using the ray-tracing code C3PO and the 3D linearized relativistic bounce-averaged Fokker–Planck solver LUKE, the effect of electron density fluctuations on the current driven by the lower hybrid (LH) and the electron cyclotron (EC) waves is estimated quantitatively. A thin fluctuating layer characterized by electron drift wave turbulence at the plasma edge is considered. The effect of fluctuations on the LH wave propagation is equivalent to a random scattering process with a broadening of the poloidal mode spectrum proportional to the level of the perturbation. However, in the multipass regime, the LH current density profile remains sensitive to the ray chaotic behaviour, which is not averaged by fluctuations. The effect of large amplitude fluctuations on the EC driven current is found to be similar to an anomalous radial transport of the fast electrons. The resulting lower current drive efficiency and broader current profile are in better agreement with experimental observations. Finally, applied to the ITER ELMy H-mode regime, the model predicts a significant broadening of the EC driven current density profile with the fluctuation level, which can make the stabilization of neoclassical tearing mode potentially

Non-Born-Oppenheimer trajectories with self-consistent decay of mixing

International Nuclear Information System (INIS)

Zhu Chaoyuan; Jasper, Ahren W.; Truhlar, Donald G.

2004-01-01

A semiclassical trajectory method, called the self-consistent decay of mixing (SCDM) method, is presented for the treatment of electronically nonadiabatic dynamics. The SCDM method is a modification of the semiclassical Ehrenfest (SE) method (also called the semiclassical time-dependent self-consistent-field method) that solves the problem of unphysical mixed final states by including decay-of-mixing terms in the equations for the evolution of the electronic state populations. These terms generate a force, called the decoherent force (or dephasing force), that drives the electronic component of each trajectory toward a pure state. Results for several mixed quantum-classical methods, in particular the SCDM, SE, and natural-decay-of-mixing methods and several trajectory surface hopping methods, are compared to the results of accurate quantum mechanical calculations for 12 cases involving five different fully dimensional triatomic model systems. The SCDM method is found to be the most accurate of the methods tested. The method should be useful for the simulation of photochemical reactions

60 MHz fast wave current drive experiment for DIII-D

Energy Technology Data Exchange (ETDEWEB)

Mayberry, M.J.; Chiu, S.C.; Porkolab, M.; Chan, V.; Freeman, R.; Harvey, R.; Pinsker, R. (General Atomics, San Diego, CA (USA))

1989-07-01

The DIII-D facility provides an opportunity to test fast wave current drive appoach. Efficient FWCD is achieved by direct electron absorption due to Landa damping and transit time magnetic pumping. To avoid competing damping mechamisms we seek to maximize the single-pass asorption of the fast waves by electrons. (AIP)

Dynamics of electron wave packet in a disordered chain with delayed nonlinear response

International Nuclear Information System (INIS)

Zhu Hongjun; Xiong Shijie

2010-01-01

We investigate the dynamics of one electron wave packet in a linear chain with random on-site energies and a nonadiabatic electron-phonon interaction which is described by a delayed cubic nonlinear term in the time-dependent Schroedinger equation. We show that in the regime where the wave packet is delocalized in the case with only the delayed nonlinearity, the wave packet becomes localized when the disorder is added and the localization is enhanced by increasing the disorder. In the regime where the self-trapping phenomenon occurs in the case with only the delayed nonlinearity, by adding the disorder the general dynamical features of the wave packet do not change if the nonlinearity parameter is small, but the dynamics shows the subdiffusive behavior if the nonlinearity parameter is large. The numerical results demonstrate complicated wave packet dynamics of systems with both the disorder and nonlinearity.

Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

Directory of Open Access Journals (Sweden)

Weijie Hua

2016-03-01

Full Text Available Attosecond X-ray pulses are short enough to capture snapshots of molecules undergoing nonadiabatic electron and nuclear dynamics at conical intersections (CoIns. We show that a stimulated Raman probe induced by a combination of an attosecond and a femtosecond pulse has a unique temporal and spectral resolution for probing the nonadiabatic dynamics and detecting the ultrafast (∼4.5 fs passage through a CoIn. This is demonstrated by a multiconfigurational self-consistent-field study of the dynamics and spectroscopy of the furan ring-opening reaction. Trajectories generated by surface hopping simulations were used to predict Attosecond Stimulated X-ray Raman Spectroscopy signals at reactant and product structures as well as representative snapshots along the conical intersection seam. The signals are highly sensitive to the changes in nonadiabatically coupled electronic structure and geometry.

Are Nonadiabatic Reaction Dynamics the Key to Novel Organosilicon Molecules? The Silicon (Si(3P))-Dimethylacetylene (C4H6(X1A1g)) System as a Case Study.

Science.gov (United States)

Thomas, Aaron M; Dangi, Beni B; Yang, Tao; Kaiser, Ralf I; Lin, Lin; Chou, Tzu-Jung; Chang, Agnes H H

2018-06-06

The bimolecular gas phase reaction of ground-state silicon (Si; 3 P) with dimethylacetylene (C 4 H 6 ; X 1 A 1g ) was investigated under single collision conditions in a crossed molecular beams machine. Merged with electronic structure calculations, the data propose nonadiabatic reaction dynamics leading to the formation of singlet SiC 4 H 4 isomer(s) and molecular hydrogen (H 2 ) via indirect scattering dynamics along with intersystem crossing (ISC) from the triplet to the singlet surface. The reaction may lead to distinct energetically accessible singlet SiC 4 H 4 isomers ( 1 p8- 1 p24) in overall exoergic reaction(s) (-107 -20 +12 kJ mol -1 ). All feasible reaction products are either cyclic, carry carbene analogous silylene moieties, or carry C-Si-H or C-Si-C bonds that would require extensive isomerization from the initial collision complex(es) to the fragmenting singlet intermediate(s). The present study demonstrates the first successful crossed beams study of an exoergic reaction channel arising from bimolecular collisions of silicon, Si( 3 P), with a hydrocarbon molecule.

Adjustable-Speed Single-Phase IM Drive with Reduced Number of Switches

Czech Academy of Sciences Publication Activity Database

Chomát, Miroslav; Lipo, T. A.

2003-01-01

Roč. 39, č. 3 (2003), s. 819-825 ISSN 0093-9994 R&D Projects: GA ČR GA102/02/0554 Grant - others:National Science Foundation(US) GA9820434 Institutional research plan: CEZ:AV0Z2057903 Keywords : AC motor drives * converters * induction motor drives Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 0.783, year: 2003

Neoclassical effects on RF current drive in tokamaks

International Nuclear Information System (INIS)

Yoshioka, K.; Antonsen, T.M. Jr.

1986-01-01

Neoclassical effects on RF current drive which arise because of the inhomogeneity of the magnetic field in tokamak devices are analysed. A bounce averaged 2-D Fokker-Planck equation is derived from the drift kinetic equation and is solved numerically. The model features current drive due to a strong RF wave field. The efficiency of current drive by electron cyclotron waves is significantly reduced when the waves are absorbed at the low magnetic field side of a given flux surface, whereas the efficiency remains at the same level as in the homogeneous ideal plasma when the waves are absorbed at the high field side. The efficiency of current drive by fast waves (compressional Alfven waves) with low phase velocity (vsub(parallel)/vsub(th)<1) is significantly degraded by neoclassical effects, no matter where the wave is absorbed, and the applicability of this wave seems, therefore, to be doubtful. (author)

Non-adiabatic quantum state preparation and quantum state transport in chains of Rydberg atoms

Science.gov (United States)

Ostmann, Maike; Minář, Jiří; Marcuzzi, Matteo; Levi, Emanuele; Lesanovsky, Igor

2017-12-01

Motivated by recent progress in the experimental manipulation of cold atoms in optical lattices, we study three different protocols for non-adiabatic quantum state preparation and state transport in chains of Rydberg atoms. The protocols we discuss are based on the blockade mechanism between atoms which, when excited to a Rydberg state, interact through a van der Waals potential, and rely on single-site addressing. Specifically, we discuss protocols for efficient creation of an antiferromagnetic GHZ state, a class of matrix product states including a so-called Rydberg crystal and for the state transport of a single-qubit quantum state between two ends of a chain of atoms. We identify system parameters allowing for the operation of the protocols on timescales shorter than the lifetime of the Rydberg states while yielding high fidelity output states. We discuss the effect of positional disorder on the resulting states and comment on limitations due to other sources of noise such as radiative decay of the Rydberg states. The proposed protocols provide a testbed for benchmarking the performance of quantum information processing platforms based on Rydberg atoms.

Glaucoma and Driving: On-Road Driving Characteristics

Science.gov (United States)

Wood, Joanne M.; Black, Alex A.; Mallon, Kerry; Thomas, Ravi; Owsley, Cynthia

2016-01-01

Purpose To comprehensively investigate the types of driving errors and locations that are most problematic for older drivers with glaucoma compared to those without glaucoma using a standardized on-road assessment. Methods Participants included 75 drivers with glaucoma (mean = 73.2±6.0 years) with mild to moderate field loss (better-eye MD = -1.21 dB; worse-eye MD = -7.75 dB) and 70 age-matched controls without glaucoma (mean = 72.6 ± 5.0 years). On-road driving performance was assessed in a dual-brake vehicle by an occupational therapist using a standardized scoring system which assessed the types of driving errors and the locations where they were made and the number of critical errors that required an instructor intervention. Driving safety was rated on a 10-point scale. Self-reported driving ability and difficulties were recorded using the Driving Habits Questionnaire. Results Drivers with glaucoma were rated as significantly less safe, made more driving errors, and had almost double the rate of critical errors than those without glaucoma. Driving errors involved lane positioning and planning/approach, and were significantly more likely to occur at traffic lights and yield/give-way intersections. There were few between group differences in self-reported driving ability. Conclusions Older drivers with glaucoma with even mild to moderate field loss exhibit impairments in driving ability, particularly during complex driving situations that involve tactical problems with lane-position, planning ahead and observation. These results, together with the fact that these drivers self-report their driving to be relatively good, reinforce the need for evidence-based on-road assessments for evaluating driving fitness. PMID:27472221

Glaucoma and Driving: On-Road Driving Characteristics.

Directory of Open Access Journals (Sweden)

Joanne M Wood

Full Text Available To comprehensively investigate the types of driving errors and locations that are most problematic for older drivers with glaucoma compared to those without glaucoma using a standardized on-road assessment.Participants included 75 drivers with glaucoma (mean = 73.2±6.0 years with mild to moderate field loss (better-eye MD = -1.21 dB; worse-eye MD = -7.75 dB and 70 age-matched controls without glaucoma (mean = 72.6 ± 5.0 years. On-road driving performance was assessed in a dual-brake vehicle by an occupational therapist using a standardized scoring system which assessed the types of driving errors and the locations where they were made and the number of critical errors that required an instructor intervention. Driving safety was rated on a 10-point scale. Self-reported driving ability and difficulties were recorded using the Driving Habits Questionnaire.Drivers with glaucoma were rated as significantly less safe, made more driving errors, and had almost double the rate of critical errors than those without glaucoma. Driving errors involved lane positioning and planning/approach, and were significantly more likely to occur at traffic lights and yield/give-way intersections. There were few between group differences in self-reported driving ability.Older drivers with glaucoma with even mild to moderate field loss exhibit impairments in driving ability, particularly during complex driving situations that involve tactical problems with lane-position, planning ahead and observation. These results, together with the fact that these drivers self-report their driving to be relatively good, reinforce the need for evidence-based on-road assessments for evaluating driving fitness.

Glaucoma and Driving: On-Road Driving Characteristics.

Science.gov (United States)

Wood, Joanne M; Black, Alex A; Mallon, Kerry; Thomas, Ravi; Owsley, Cynthia

2016-01-01

To comprehensively investigate the types of driving errors and locations that are most problematic for older drivers with glaucoma compared to those without glaucoma using a standardized on-road assessment. Participants included 75 drivers with glaucoma (mean = 73.2±6.0 years) with mild to moderate field loss (better-eye MD = -1.21 dB; worse-eye MD = -7.75 dB) and 70 age-matched controls without glaucoma (mean = 72.6 ± 5.0 years). On-road driving performance was assessed in a dual-brake vehicle by an occupational therapist using a standardized scoring system which assessed the types of driving errors and the locations where they were made and the number of critical errors that required an instructor intervention. Driving safety was rated on a 10-point scale. Self-reported driving ability and difficulties were recorded using the Driving Habits Questionnaire. Drivers with glaucoma were rated as significantly less safe, made more driving errors, and had almost double the rate of critical errors than those without glaucoma. Driving errors involved lane positioning and planning/approach, and were significantly more likely to occur at traffic lights and yield/give-way intersections. There were few between group differences in self-reported driving ability. Older drivers with glaucoma with even mild to moderate field loss exhibit impairments in driving ability, particularly during complex driving situations that involve tactical problems with lane-position, planning ahead and observation. These results, together with the fact that these drivers self-report their driving to be relatively good, reinforce the need for evidence-based on-road assessments for evaluating driving fitness.

Solar receiver heliostat reflector having a linear drive and position information system

Science.gov (United States)

Horton, Richard H.

1980-01-01

A heliostat for a solar receiver system comprises an improved drive and control system for the heliostat reflector assembly. The heliostat reflector assembly is controllably driven in a predetermined way by a light-weight drive system so as to be angularly adjustable in both elevation and azimuth to track the sun and efficiently continuously reflect the sun's rays to a focal zone, i.e., heat receiver, which forms part of a solar energy utilization system, such as a solar energy fueled electrical power generation system. The improved drive system includes linear stepping motors which comprise low weight, low cost, electronic pulse driven components. One embodiment comprises linear stepping motors controlled by a programmed, electronic microprocessor. Another embodiment comprises a tape driven system controlled by a position control magnetic tape.

A hybrid-drive nonisobaric-ignition scheme for inertial confinement fusion

Energy Technology Data Exchange (ETDEWEB)

He, X. T., E-mail: xthe@iapcm.ac.cn [Institute of Applied Physics and Computational Mathematics, P. O. Box 8009, Beijing 100094 (China); Center for Applied Physics and Technology, HEDPS, Peking University, Beijing 100871 (China); IFSA Collaborative Innovation Center of MoE, Shanghai Jiao-Tong University, Shanghai 200240 (China); Institute of Fusion Theory and Simulation, Zhejiang University, Hangzhou 310027 (China); Li, J. W.; Wang, L. F.; Liu, J.; Lan, K.; Ye, W. H. [Institute of Applied Physics and Computational Mathematics, P. O. Box 8009, Beijing 100094 (China); Center for Applied Physics and Technology, HEDPS, Peking University, Beijing 100871 (China); IFSA Collaborative Innovation Center of MoE, Shanghai Jiao-Tong University, Shanghai 200240 (China); Fan, Z. F.; Wu, J. F. [Institute of Applied Physics and Computational Mathematics, P. O. Box 8009, Beijing 100094 (China)

2016-08-15

A new hybrid-drive (HD) nonisobaric ignition scheme of inertial confinement fusion (ICF) is proposed, in which a HD pressure to drive implosion dynamics increases via increasing density rather than temperature in the conventional indirect drive (ID) and direct drive (DD) approaches. In this HD (combination of ID and DD) scheme, an assembled target of a spherical hohlraum and a layered deuterium-tritium capsule inside is used. The ID lasers first drive the shock to perform a spherical symmetry implosion and produce a large-scale corona plasma. Then, the DD lasers, whose critical surface in ID corona plasma is far from the radiation ablation front, drive a supersonic electron thermal wave, which slows down to a high-pressure electron compression wave, like a snowplow, piling up the corona plasma into high density and forming a HD pressurized plateau with a large width. The HD pressure is several times the conventional ID and DD ablation pressure and launches an enhanced precursor shock and a continuous compression wave, which give rise to the HD capsule implosion dynamics in a large implosion velocity. The hydrodynamic instabilities at imploding capsule interfaces are suppressed, and the continuous HD compression wave provides main pdV work large enough to hotspot, resulting in the HD nonisobaric ignition. The ignition condition and target design based on this scheme are given theoretically and by numerical simulations. It shows that the novel scheme can significantly suppress implosion asymmetry and hydrodynamic instabilities of current isobaric hotspot ignition design, and a high-gain ICF is promising.

A New Servo Control Drive for Electro Discharge Texturing System Industrial Applications Using Ultrasonic Technology

Directory of Open Access Journals (Sweden)

M. Shafik

2013-07-01

Full Text Available This paper presents a new ultrasonic servo control drive for electro discharge texturing system industrial applications. The new drive is aiming to overcome the current teething issues of the existing electro discharge texturing system, servo control drive level of precision, processing stability, dynamic response and surface profile of the machined products. The new ultrasonic servo control drive consists of three main apparatuses, an ultrasonic motor, electronic driver and control unit. The ultrasonic motor consists of three main parts, the stator, rotor and sliding element. The motor design process, basic configuration, principles of motion, finite element analysis and experimental examination of the main characteristics is discussed in this paper. The electronic driver of the motor consists of two main stages which are the booster and piezoelectric amplifier. The experimental test and validation of the developed servo control drive in electro discharge texturing platform is also discussed and presented in this paper. The initial results showed that the ultrasonic servo control drive is able to provide: a bidirectional of motion, a resolution of <50μm and a dynamic response of <10msec. The electron microscopic micro examination into the textured samples showed that: a clear improvement in machining stability, products surface profile, a notable reduction in the processing time, arcing and short-circuiting teething phenomena.

Bridge mediated two-electron transfer reactions: Analysis of stepwise and concerted pathways

International Nuclear Information System (INIS)

Petrov, E.G.; May, V.

2004-01-01

A theory of nonadiabatic donor (D)-acceptor (A) two-electron transfer (TET) mediated by a single regular bridge (B) is developed. The presence of different intermediate two-electron states connecting the reactant state D -- BA with the product state DBA -- results in complex multiexponential kinetics. The conditions are discussed at which a reduction to two-exponential as well as single-exponential kinetics becomes possible. For the latter case the rate K TET is calculated, which describes the bridge-mediated reaction as an effective two-electron D-A transfer. In the limit of small populations of the intermediate TET states D - B - A, DB -- A, D - BA - , and DB - A - , K TET is obtained as a sum of the rates K TET (step) and K TET (sup) . The first rate describes stepwise TET originated by transitions of a single electron. It starts at D -- BA and reaches DBA -- via the intermediate state D - BA - . These transitions cover contributions from sequential as well as superexchange reactions all including reduced bridge states. In contrast, a specific two-electron superexchange mechanism from D -- BA to DBA -- defines K TET (sup) . An analytic dependence of K TET (step) and K TET (sup) on the number of bridging units is presented and different regimes of D-A TET are studied

Characteristics of a cold cathode electron source combined with secondary electron emission in a FED

International Nuclear Information System (INIS)

Lei Wei; Zhang Xiaobing; Zhou Xuedong; Zhu Zuoya; Lou Chaogang; Zhao Hongping

2005-01-01

In electron beam devices, the voltage applied to the cathode (w.r.t. grid voltage) provides the initial energy for the electrons. Based on the type of electron emission, the electron sources are (mainly) classified into thermionic cathodes and cold cathodes. The power consumption of a cold cathode is smaller than that of a thermionic cathode. The delay time of the electron emission from a cold cathode following the voltage rise is also smaller. In cathode ray tubes, field emission display (=FED) panels and other devices, the electron current emitted from the cathode needs to be modulated. Since the strong electric field, which is required to extract electrons from the cold cathode, accelerates the electrons to a high velocity near the gate electrode, the required voltage swing for the current modulation is also high. The design of the driving circuit becomes quite difficult and expensive for a high driving voltage. In this paper, an insulator plate with holes is placed in front of a cold cathode. When the primary electrons hit the surface of the insulator tunnels, secondary electrons are generated. In this paper, the characteristics of the secondary electrons emitted from the gate structure are studied. Because the energies of the secondary electrons are smaller than that of the primary electron, the driving voltage for the current modulation is decreased by the introduction of the insulator tunnels, resulting in an improved energy uniformity of the electron beam. Triode structures with inclined insulator tunnels and with double insulator plates are also fabricated and lead to further improvements in the energy uniformity. The improved energy uniformity predicted by the simulation calculations is demonstrated by the improved brightness uniformity in the screen display images

Introduction to electrical power and power electronics

CERN Document Server

Patel, Mukund R

2012-01-01

Power Generation, Distribution, and Utilization AC Power Fundamentals Common Aspects of Power Equipments AC Generator AC and DC Motors Transformer Power Cable Power Distribution Fault Current Analysis System ProtectionEconomic Use of PowerElectrochemical BatteryPower Electronics and Motor Drives Power Electronics Devices DC-DC Converters AC-DC-AC Converters Variable-Frequency Drives Quality of Power Power Converter CoolingAppendixIndex

Example for electrical energy savings with the pump adjustable electric drive

International Nuclear Information System (INIS)

Mirchevski, Slobodan; Andonov, Zdravko; Saracevic, Fahrudin; Micevski, Darko; Buchkoski, Aleksandar

2004-01-01

Most used method of flow regulation is by throttling the pipeline. Development of power electronic gives opportunity for induction motor pump drives speed control. The common ways of pump flow control are throttling, reducing the working circle, usage of fore circle shovels rotating, by pass and pump speed control Only pump speed control is the most suitable for the energy possibilities. Intensive development of power electronic gives. opportunity to create devices - power converters, which can change the speed of induction motor. For that improvement the energy savings the measurements of power consumption with throttling and speed control have been made. Also, the MATLAB-SIMULINK model of the measured system has been made. The economic effects of saving energy using adjustable speed drives are analyzed for the measured values. The analysis shows that the money payback period of speed controller investment is short compared with the drive lifetime (20 years). (Author)

Design for Reliability and Robustness Tool Platform for Power Electronic Systems – Study Case on Motor Drive Applications

DEFF Research Database (Denmark)

Vernica, Ionut; Wang, Huai; Blaabjerg, Frede

2018-01-01

conventional approach, mainly based on failure statistics from the field, the reliability evaluation of the power devices is still a challenging task. In order to address the given problem, a MATLAB based reliability assessment tool has been developed. The Design for Reliability and Robustness (DfR2) tool...... allows the user to easily investigate the reliability performance of the power electronic components (or sub-systems) under given input mission profiles and operating conditions. The main concept of the tool and its framework are introduced, highlighting the reliability assessment procedure for power...... semiconductor devices. Finally, a motor drive application is implemented and the reliability performance of the power devices is investigated with the help of the DfR2 tool, and the resulting reliability metrics are presented....

FY2015 Electric Drive Technologies Annual Progress Report

Energy Technology Data Exchange (ETDEWEB)

None, None

2016-02-29

The Electric Drive Technologies research and development (R&D) subprogram within the DOE Vehicle Technologies Office (VTO) provides support and guidance for many cutting-edge automotive technologies under development. Research is focused on developing power electronics (PE), electric motor, and traction drive system (TDS) technologies that will reduce system cost and improve their efficiency in transforming battery energy to useful work. The R&D is also aimed at better understanding and improving how various components of tomorrow’s automobiles will function as a unified system to improve fuel efficiency.

FY2014 Electric Drive Technologies Annual Progress Report

Energy Technology Data Exchange (ETDEWEB)

None

2014-12-01

The Electric Drive Technologies research and development (R&D) subprogram within the DOE Vehicle Technologies Office (VTO) provides support and guidance for many cutting-edge automotive technologies under development. Research is focused on developing power electronics (PE), electric motor, and traction drive system (TDS) technologies that will reduce system cost and improve their efficiency in transforming battery energy to useful work. The R&D is also aimed at better understanding and improving how various components of tomorrow’s automobiles will function as a unified system to improve fuel efficiency.

FY2016 Electric Drive Technologies Annual Progress Report

Energy Technology Data Exchange (ETDEWEB)

None, None

2017-07-03

The Electric Drive Technologies research and development (R&D) subprogram within the DOE Vehicle Technologies Office (VTO) provides support and guidance for many cutting-edge automotive technologies under development. Research is focused on developing power electronics (PE), electric motor, and traction drive system (TDS) technologies that will reduce system cost and improve their efficiency in transforming battery energy to useful work. The R&D is also aimed at better understanding and improving how various components of tomorrow’s automobiles will function as a unified system to improve fuel efficiency.

Effects of electron cyclotron current drive on the evolution of double tearing mode

International Nuclear Information System (INIS)

Sun, Guanglan; Dong, Chunying; Duan, Longfang

2015-01-01

The effects of electron cyclotron current drive (ECCD) on the double tearing mode (DTM) in slab geometry are investigated by using two-dimensional compressible magnetohydrodynamics equations. It is found that, mainly, the double tearing mode is suppressed by the emergence of the secondary island, due to the deposition of driven current on the X-point of magnetic island at one rational surface, which forms a new non-complete symmetric magnetic topology structure (defined as a non-complete symmetric structure, NSS). The effects of driven current with different parameters (magnitude, initial time of deposition, duration time, and location of deposition) on the evolution of DTM are analyzed elaborately. The optimal magnitude or optimal deposition duration of driven current is the one which makes the duration of NSS the longest, which depends on the mutual effect between ECCD and the background plasma. Moreover, driven current introduced at the early Sweet-Parker phase has the best suppression effect; and the optimal moment also exists, depending on the duration of the NSS. Finally, the effects varied by the driven current disposition location are studied. It is verified that the favorable location of driven current is the X-point which is completely different from the result of single tearing mode

Effects of electron cyclotron current drive on the evolution of double tearing mode

Energy Technology Data Exchange (ETDEWEB)

Sun, Guanglan, E-mail: sunguanglan@nciae.edu.cn; Dong, Chunying [Basic Science Section, North China Institute of Aerospace Engineering, Langfang 065000 (China); Duan, Longfang [School of Computer and Remote Sensing Information Technology, North China Institute of Aerospace Engineering, Langfang 065000 (China)

2015-09-15

The effects of electron cyclotron current drive (ECCD) on the double tearing mode (DTM) in slab geometry are investigated by using two-dimensional compressible magnetohydrodynamics equations. It is found that, mainly, the double tearing mode is suppressed by the emergence of the secondary island, due to the deposition of driven current on the X-point of magnetic island at one rational surface, which forms a new non-complete symmetric magnetic topology structure (defined as a non-complete symmetric structure, NSS). The effects of driven current with different parameters (magnitude, initial time of deposition, duration time, and location of deposition) on the evolution of DTM are analyzed elaborately. The optimal magnitude or optimal deposition duration of driven current is the one which makes the duration of NSS the longest, which depends on the mutual effect between ECCD and the background plasma. Moreover, driven current introduced at the early Sweet-Parker phase has the best suppression effect; and the optimal moment also exists, depending on the duration of the NSS. Finally, the effects varied by the driven current disposition location are studied. It is verified that the favorable location of driven current is the X-point which is completely different from the result of single tearing mode.

Low frequency rf current drive

International Nuclear Information System (INIS)

Hershkowitz, N.

1992-01-01

An unshielded antenna for rf heating has been developed and tested during this report period. In addition to design specifications being given, some experimental results are presented utilizing: (1) an unprotected Faraday shield, (2) insulating guard limiters, (3) unshielded antenna experiments, (4) method for detecting small rf driven currents, (5) rf fast wave current drive experiments, (6) alfven wave interactions with electrons, and (7) machine conditioning, impurity generation and density control

Electrical machines and drives