WorldWideScience

Sample records for adiabatic surface ionization

  1. Adiabatic theory of ionization of atoms by intense laser pulses

    International Nuclear Information System (INIS)

    As a first step towards the adiabatic theory of ionization of atoms by intense laser pulses, here we consider the simplest one-dimensional zero-range potential model. The asymptotic solution to the time-dependent Schroedinger equation in the adiabatic regime is obtained and the photoelectron spectrum is calculated. The factorization formula for the photoelectron spectrum in the back-rescattering region, first suggested by Morishita et al. [Phys. Rev. Lett. 100, 013903 (2008)] on the basis of ab initio calculations, is derived analytically.

  2. Plasmons on adiabatically varying surfaces

    CERN Document Server

    Perel, Maria V

    2011-01-01

    Surface plasmon polaritons (SSP), moving along a smooth curved interface between two isotropic media with slowly varying dielectric permittivities and magnetic permeabilities and supporting SSP, are studied theoretically. Solutions of Maxwell equations are investigated within a small wavelength limit in the boundary layer of the wavelength order near the surface. An explicit asymptotic formula for an EM wave traveling along geodesics on the surface is obtained. An exponential factor reflects a distinction between the planar and curved cases. A curvature-dependent correction term in the exponent demonstrates a strong dependence on transverse curvature and a weak dependence on longitudinal curvature. The closer the parameters to the resonance case, the more pronounced this tendency. It is found that the attenuation of the SPP in the case of lossy media may be reduced by changing the curvature. If the signs of the magnetic permeability of the medium on both sides of the interface are opposite, the surface magnet...

  3. Adiabatic density surface, neutral density surface, potential density surface, and mixing path

    Institute of Scientific and Technical Information of China (English)

    HUANG Rui-xin

    2014-01-01

    In this paper, adiabatic density surface, neutral density surface and potential density surface are compared. The adiabatic density surface is defined as the surface on which a water parcellcan move adiabatically, without changing its potential temperature and salinity. For a water parcelltaken at a given station and pressure level, the corresponding adiabatic density surface can be determined through simple calculations. This family of surface is neutrally buoyant in the world ocean, and different from other surfaces that are not truly neutrally buoyant. In order to explore mixing path in the ocean, a mixing ratio m is introduced, which is defined as the portion of potential temperature and salinity of a water parcellthat has exchanged with the environment during a segment of migration in the ocean. Two extreme situations of mixing path in the ocean are m=0 (no mixing), which is represented by the adiabatic density curve, and m=1, where the original information is completely lost through mixing. The latter is represented by the neutral density curve. The reality lies in between, namely, 0

  4. Hot-electron nanoscopy using adiabatic compression of surface plasmons

    KAUST Repository

    Giugni, Andrea

    2013-10-20

    Surface plasmon polaritons are a central concept in nanoplasmonics and have been exploited to develop ultrasensitive chemical detection platforms, as well as imaging and spectroscopic techniques at the nanoscale. Surface plasmons can decay to form highly energetic (or hot) electrons in a process that is usually thought to be parasitic for applications, because it limits the lifetime and propagation length of surface plasmons and therefore has an adverse influence on the functionality of nanoplasmonic devices. Recently, however, it has been shown that hot electrons produced by surface plasmon decay can be harnessed to produce useful work in photodetection, catalysis and solar energy conversion. Nevertheless, the surface-plasmon-to-hot-electron conversion efficiency has been below 1% in all cases. Here we show that adiabatic focusing of surface plasmons on a Schottky diode-terminated tapered tip of nanoscale dimensions allows for a plasmon-to-hot-electron conversion efficiency of ∼30%. We further demonstrate that, with such high efficiency, hot electrons can be used for a new nanoscopy technique based on an atomic force microscopy set-up. We show that this hot-electron nanoscopy preserves the chemical sensitivity of the scanned surface and has a spatial resolution below 50 nm, with margins for improvement.

  5. Difluorocarbene studied with threshold photoelectron spectroscopy (TPES): measurement of the first adiabatic ionization energy (AIE) of CF(2).

    Science.gov (United States)

    Innocenti, Fabrizio; Eypper, Marie; Lee, Edmond P F; Stranges, Stefano; Mok, Daniel K W; Chau, Foo-tim; King, George C; Dyke, John M

    2008-01-01

    The first photoelectron band of difluorocarbene CF(2), has been studied by threshold photoelectron (TPE) spectroscopy. CF(2) was prepared by microwave discharge of a flowing mixture of hexafluoropropene, C(3)F(6), and argon. A vibrationally resolved band was observed in which at least twenty-two components were observed. In the first PE band of CF(2), the adiabatic ionization energy differs significantly from the vertical ionization energy because, for the ionization CF(2) (+) (X(2)A(1))+e(-) CF(2) (X(1)A(1)), there is an increase in the FCF bond angle (by approximately 20 degrees ) and a decrease in the C--F bond length (by approximately 0.7 A). The adiabatic component was not observed in the experimental TPE spectrum. However, on comparing this spectrum with an ab initio/Franck-Condon simulation of this band, using results from high-level ab initio calculations, the structure associated with the vibrational components could be assigned. This led to alignment of the experimental TPE spectrum and the computed Franck-Condon envelope, and a determination of the first adiabatic ionization energy of CF(2) as (11.362+/-0.005) eV. From the assignment of the vibrational structure, values were obtained for the harmonic and fundamental frequencies of the symmetric stretching mode (nu(1)') and symmetric bending mode (nu(2)') in CF(2) (+) (X(2)A(1)). PMID:19006171

  6. Band gaps, ionization potentials, and electron affinities of periodic electron systems via the adiabatic-connection fluctuation-dissipation theorem

    Science.gov (United States)

    Trushin, Egor; Betzinger, Markus; Blügel, Stefan; Görling, Andreas

    2016-08-01

    An approach to calculate fundamental band gaps, ionization energies, and electron affinities of periodic electron systems is explored. Starting from total energies obtained with the help of the adiabatic-connection fluctuation-dissipation (ACFD) theorem, these physical observables are calculated according to their basic definition by differences of the total energies of the N -, (N -1 ) -, and (N +1 ) -electron system. The response functions entering the ACFD theorem are approximated here by the direct random phase approximation (dRPA). For a set of prototypical semiconductors and insulators it is shown that even with this quite drastic approximation the resulting band gaps are very close to experiment and of a similar quality to those from the computationally more involved G W approximation. By going beyond the dRPA in the future the accuracy of the calculated band gaps may be significantly improved further.

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

    Directory of Open Access Journals (Sweden)

    João Pedro eMalhado

    2014-11-01

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

  8. Adiabatic Isometric Mapping Algorithm for Embedding 2-Surfaces in Euclidean 3-Space

    CERN Document Server

    Ray, Shannon; Alsing, Paul M; Yau, Shing-Tung

    2015-01-01

    Alexandrov proved that any simplicial complex homeomorphic to a sphere with strictly non-negative Gaussian curvature at each vertex can be isometrically embedded uniquely in $\\mathbb{R}^3$ as a convex polyhedron. Due to the nonconstructive nature of his proof, there have yet to be any algorithms, that we know of, that realizes the Alexandrov embedding in polynomial time. Following his proof, we developed the adiabatic isometric mapping (AIM) algorithm. AIM uses a guided adiabatic pull-back procedure to produce "smooth" embeddings. Tests of AIM applied to two different polyhedral metrics suggests that its run time is sub cubic with respect to the number of vertices. Although Alexandrov's theorem specifically addresses the embedding of convex polyhedral metrics, we tested AIM on a broader class of polyhedral metrics that included regions of negative Gaussian curvature. One test was on a surface just outside the ergosphere of a Kerr black hole.

  9. Adiabatic isometric mapping algorithm for embedding 2-surfaces in Euclidean 3-space

    Science.gov (United States)

    Ray, Shannon; Miller, Warner A.; Alsing, Paul M.; Yau, Shing-Tung

    2015-12-01

    Alexandrov proved that any simplicial complex homeomorphic to a sphere with strictly non-negative Gaussian curvature at each vertex can be isometrically embedded uniquely in {{{R}}}3 as a convex polyhedron. Due to the nonconstructive nature of his proof, there have yet to be any algorithms, that we know of, that realizes the Alexandrov embedding in polynomial time. Following his proof, we developed the adiabatic isometric mapping (AIM) algorithm. AIM uses a guided adiabatic pull-back procedure on a given polyhedral metric to produce an embedding that approximates the unique Alexandrov polyhedron. Tests of AIM applied to two different polyhedral metrics suggests that its run time is sub cubic with respect to the number of vertices. Although Alexandrov’s theorem specifically addresses the embedding of convex polyhedral metrics, we tested AIM on a broader class of polyhedral metrics that included regions of negative Gaussian curvature. One test was on a surface just outside the ergosphere of a Kerr black hole.

  10. Ab initio adiabatic and quasidiabatic potential energy surfaces of H++ CN system

    Indian Academy of Sciences (India)

    Bhargava Anusuri; Sanjay Kumar

    2016-02-01

    We present restricted geometry (collinear and perpendicular approaches of proton) ab initio three dimensional potential energy surfaces for H++ CN system. The calculations were performed at the internally contracted multi-reference configuration interaction level of theory using Dunning’s correlation consistent polarized valence triple zeta basis set. Adiabatic and quasidiabatic surfaces have been computed for the ground and the first excited electronic states. Nonadiabatic effects arising from radial coupling have been analyzed in terms of nonadiabatic coupling matrix elements and coupling potentials.

  11. Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states

    Science.gov (United States)

    Humeniuk, Alexander; Mitrić, Roland

    2016-06-01

    A surface-hopping extension of the coupled coherent states-method [D. Shalashilin and M. Child, Chem. Phys. 304, 103-120 (2004)] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schrödinger equation for the motion of the nuclei is solved in a moving basis set. The basis set is guided by classical trajectories, which can hop stochastically between different electronic potential energy surfaces. The non-adiabatic transitions are modelled by a modified version of Tully's fewest switches algorithm. The trajectories consist of Gaussians in the phase space of the nuclei (coherent states) combined with amplitudes for an electronic wave function. The time-dependent matrix elements between different coherent states determine the amplitude of each trajectory in the total multistate wave function; the diagonal matrix elements determine the hopping probabilities and gradients. In this way, both interference effects and non-adiabatic transitions can be described in a very compact fashion, leading to the exact solution if convergence with respect to the number of trajectories is achieved and the potential energy surfaces are known globally. The method is tested on a 2D model for a conical intersection [A. Ferretti, J. Chem. Phys. 104, 5517 (1996)], where a nuclear wavepacket encircles the point of degeneracy between two potential energy surfaces and interferes with itself. These interference effects are absent in classical trajectory-based molecular dynamics but can be fully incorpo rated if trajectories are replaced by surface hopping coupled coherent states.

  12. Non-Adiabatic Dynamics around a Conical Intersection with Surface-Hopping Coupled Coherent States

    CERN Document Server

    Humeniuk, Alexander

    2016-01-01

    An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\\"{o}dinger equation for the motion of the nuclei is solved in a moving basis set. The basis set is guided by classical trajectories, which can hop stochastically between different electronic potential energy surfaces. The non-adiabatic transitions are modelled by a modified version of Tully's fewest switches algorithm. The trajectories consist of Gaussians in the phase space of the nuclei (coherent states) combined with amplitudes for an electronic wave function. The time-dependent matrix elements between different coherent states determine the amplitude of each trajectory in the total multistate wave function; the diagonal matrix elements determine the hopping probabilities and gradients. In this way, both intereference effects and non-adiabatic transitions can be described in a very compact fashion, leading to the exact solution i...

  13. Density matrix treatment of non-adiabatic photoinduced electron transfer at a semiconductor surface.

    Science.gov (United States)

    Micha, David A

    2012-12-14

    Photoinduced electron transfer at a nanostructured surface leads to localized transitions and involves three different types of non-adiabatic couplings: vertical electronic transitions induced by light absorption emission, coupling of electronic states by the momentum of atomic motions, and their coupling due to interactions with electronic density fluctuations and vibrational motions in the substrate. These phenomena are described in a unified way by a reduced density matrix (RDM) satisfying an equation of motion that contains dissipative rates. The RDM treatment is used here to distinguish non-adiabatic phenomena that are localized from those due to interaction with a medium. The fast decay of localized state populations due to electronic density fluctuations in the medium has been treated within the Lindblad formulation of rates. The formulation is developed introducing vibronic states constructed from electron orbitals available from density functional calculations, and from vibrational states describing local atomic displacements. Related ab initio molecular dynamics calculations have provided diabatic momentum couplings between excited electronic states. This has been done in detail for an indirect photoexcitation mechanism of the surface Ag(3)Si(111):H, which leads to long lasting electronic charge separation. The resulting coupled density matrix equations are solved numerically to obtain the population of the final charge-separated state as it changes over time, for several values of the diabatic momentum coupling. New insight and unexpected results are presented here which can be understood in terms of photoinduced non-adiabatic transitions involving many vibronic states. It is found that the population of long lasting charge separation states is larger for smaller momentum coupling, and that their population grows faster for smaller coupling.

  14. Fewest switches adiabatic surface hopping as applied to vibrational energy relaxation.

    Science.gov (United States)

    Käb, Günter

    2006-03-01

    In this contribution quantum/classical surface hopping methodology is applied to vibrational energy relaxation of a quantum oscillator in a classical heat bath. The model of a linearly damped (harmonic) oscillator is chosen which can be mapped onto the Brownian motion (Caldeira-Leggett) Hamiltonian. In the simulations Tully's fewest switches surface hopping scheme is adopted with inclusion of dephasing in the adiabatic basis using a simple decoherence algorithm. The results are compared to the predictions of a Redfield-type quantum master equation modeling using the classical heat bath force correlation function as input. Thereby a link is established between both types of quantum/classical approaches. Viewed from the latter perspective, surface hopping with dephasing may be interpreted as "on-the-fly" stochastic realization of a quantum/classical Pauli master equation. PMID:16509644

  15. Explicitly correlated potential energy surface of H3+, including relativistic and adiabatic corrections.

    Science.gov (United States)

    Kutzelnigg, Werner; Jaquet, Ralph

    2006-11-15

    After a short historical account of the theory of the H3+ ion, two ab initio methods are reviewed that allow the computation of the ground-state potential energy surface (PES) of H3+ in the Born-Oppenheimer (BO) approximation, with microhartree or even sub-microhartree accuracy, namely the R12 method and the method of explicitly correlated Gaussians. The BO-PES is improved by the inclusion of relativistic effects and adiabatic corrections. It is discussed how non-adiabatic effects on rotation and vibration can be simulated by corrections to the moving nuclear masses. The importance of the appropriate analytic fit to the computed points of the PES for the subsequent computation of the rovibronic spectrum is addressed. Some recent extensions of the computed PES in the energy region above the barrier to linearity are reviewed. This involves a large set of input geometries and the correct treatment of the dissociation asymptotics, including the coupling with the first excited singlet state. Some comments on this state as well as on the lowest triplet state of H3+ are made. The paper ends with a few remarks on the ion H5+. PMID:17015373

  16. An Anderson Impurity Model for Efficient Sampling of Adiabatic Potential Energy Surfaces of Transition Metal Complexes

    CERN Document Server

    La Bute-Montiago X; Cox, D L

    2004-01-01

    We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1) adiabatic states are required "on-the-fly" and (2) the primary source of the electronic coupling between the diabatic states is the perturbative spin-orbit interaction among the 3d electrons. The model Hamiltonian we develop is a variant of the Anderson impurity model and achieves efficiency through a physically motivated basis set reduction based on the large value of the d-d Coulomb interaction U_{d} and a Lanczos matrix diagonalization routine to solve for eigenvalues. The model parameters are constrained by fits to the partial density of states (PDOS) obtained from ab initio density functional theory calculations. For a particular application of our model we focus on electron-transfer occuring between cobalt ions solvated by ammonium, incorporating configuration interactio...

  17. Surface-effect corrections for solar-like oscillations using 3D hydrodynamical simulations. I. Adiabatic oscillations

    Science.gov (United States)

    Sonoi, T.; Samadi, R.; Belkacem, K.; Ludwig, H.-G.; Caffau, E.; Mosser, B.

    2015-11-01

    Context. The CoRoT and Kepler space-borne missions have provided us with a wealth of high-quality observational data that allows for seismic inferences of stellar interiors. This requires the computation of precise and accurate theoretical frequencies, but imperfect modeling of the uppermost stellar layers introduces systematic errors. To overcome this problem, an empirical correction has been introduced by Kjeldsen et al. (2008, ApJ, 683, L175) and is now commonly used for seismic inferences. Nevertheless, we still lack a physical justification allowing for the quantification of the surface-effect corrections. Aims: Our aim is to constrain the surface-effect corrections across the Hertzsprung-Russell (HR) diagram using a set of 3D hydrodynamical simulations. Methods: We used a grid of these simulations computed with the CO5BOLD code to model the outer layers of solar-like stars. Upper layers of the corresponding 1D standard models were then replaced by the layers obtained from the horizontally averaged 3D models. The frequency differences between these patched models and the 1D standard models were then calculated using the adiabatic approximation and allowed us to constrain the Kjeldsen et al. power law, as well as a Lorentzian formulation. Results: We find that the surface effects on modal frequencies depend significantly on both the effective temperature and the surface gravity. We further provide the variation in the parameters related to the surface-effect corrections using their power law as well as a Lorentzian formulation. Scaling relations between these parameters and the elevation (related to the Mach number) is also provided. The Lorentzian formulation is shown to be more robust for the whole frequency spectrum, while the power law is not suitable for the frequency shifts in the frequency range above νmax. Finally, we show that, owing to turbulent pressure, the elevation of the uppermost layers modifies the location of the hydrogen ionization zone and

  18. Positive ionization of hyperthermal sodium atoms on metal surfaces

    Science.gov (United States)

    Overbosch, E. G.; Los, J.

    1981-06-01

    The efficiency for positive ionization of Na atoms, reflected from a metallic surface at room temperature, has been measured in the incident energy range Ein = 25-400 eV at an angle of incidence θi = 60°. The surface is W(110) partially covered with sodium atoms. The ionization is almost complete on clean tungsten for all incident energies, and decreases to zero as a function of coverage. Fifty per cent of a 100 eV primary beam is ionized at a surface coverage of 0.8 × 10 14{atoms}/{cm2} (˜0.1 monolayer). Faster projectiles demand larger coverages to be ionized for fifty per cent. The steepness of the ionization curves as a function of coverage decreases as a function of energy. In general it is found, that the ionization probability of backscattered atoms is larger at increasing incident energy. Comparison of the measured data with the theory of resonance ionization/neutralization confirms the model, and shows that the calculated shift of the valence level of the Na atom near the surface is in agreement with the experimental results.

  19. Representing Adiabatic Potential Energy Surfaces Coupled by Conical Intersections in their Full Dimensionality Using Coupled Quasi-Diabatic States

    Science.gov (United States)

    Yarkony, David

    2015-03-01

    The construction of fit single state potential energy surfaces (PESs), analytic representations of ab initio electronic energies and energy gradients, is now well established. These single state PESs, which are essential for accurate quantum dynamics and have found wide application in more approximate quasi-classical treatments, have revolutionized adiabatic dynamics. The situation for nonadiabatic processes involving dissociative and large amplitude motion is less sanguine. In these cases, compared to single electronic state dynamics, both the electronic structure data and the representation are more challenging to determine. We describe the recent development and applications of algorithms that enable description of multiple adiabatic electronic potential energy surfaces coupled by conical intersections in their full dimensionality using coupled quasi-diabatic states. These representations are demonstrably quasi-diabatic, provide accurate representations of conical intersection seams and can smooth out the discontinuities in electronic structure energies due to changing active orbital spaces that routinely afflict global multistate representations.

  20. Surface Waves in the paritally ionized solar plasma slab

    CERN Document Server

    Pandey, B P

    2013-01-01

    The properties of surface waves in the partially ionized, incompressible magnetized plasma slab are investigated in the present work. The waves are affected by the non ideal MHD effects which causes the finite drift of the magnetic field in the medium. When the finite drift of the magnetic field is ignored, the characteristics of the wave propagation in the partially ionized plasma fluid is similar to the ideal MHD except now the propagation properties depend on the fractional ionization of the medium. In the presence of Hall diffusion, the propagation of the sausage and kink surface waves depends on the level of fractional ionization of the medium. When both the Hall and Pedersen diffusion are present in the medium, the waves undergoes damping. For typical solar parameters, waves may damp over few minutes.

  1. Potential Energy Surface in Hartree-Fock Theory:Adiabatic or Configuration-Constrained?

    Institute of Scientific and Technical Information of China (English)

    GUO Lu; Sakata Fumihiko; ZHAO En-Guang

    2004-01-01

    Validity of adiabatic assumption is discussed within the constrained Hartree-Fock theory for self-conjugate nucleus 72Kr. It is shown that the adiabatic assumption does not provide a correct description for the nature of nucleus when a configuration change is involved. The excited Hartree-Fock states and the continuously-connected constrained Hartree-Fock states are given for the first time by applying the configuration dictated constrained Hartree-Fock theory with Gogny force. The importance of self-consistency between the mean-field and the single particle wave functions is emphasized even when a small number of nucleons are involved in the configuration change.

  2. Coupled Wavepackets for Non-Adiabatic Molecular Dynamics: A Generalization of Gaussian Wavepacket Dynamics to Multiple Potential Energy Surfaces

    CERN Document Server

    White, Alexander; Mozyrsky, Dmitry

    2016-01-01

    Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc Surface Hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Hellers Thawed Gaussian wavepacket dynamics that includes coupling between potential energy surfaces. The accuracy of the method can be systematically improved.

  3. Growth of CdTe on Si(100) surface by ionized cluster beam technique: Experimental and molecular dynamics simulation

    Science.gov (United States)

    Araghi, Houshang; Zabihi, Zabiholah; Nayebi, Payman; Ehsani, Mohammad Mahdi

    2016-10-01

    II-VI semiconductor CdTe was grown on the Si(100) substrate surface by the ionized cluster beam (ICB) technique. In the ICB method, when vapors of solid materials such as CdTe were ejected through a nozzle of a heated crucible into a vacuum region, nanoclusters were created by an adiabatic expansion phenomenon. The clusters thus obtained were partially ionized by electron bombardment and then accelerated onto the silicon substrate at 473 K by high potentials. The cluster size was determined using a retarding field energy analyzer. The results of X-ray diffraction measurements indicate the cubic zinc blende (ZB) crystalline structure of the CdTe thin film on the silicon substrate. The CdTe thin film prepared by the ICB method had high crystalline quality. The microscopic processes involved in the ICB deposition technique, such as impact and coalescence processes, have been studied in detail by molecular dynamics (MD) simulation.

  4. Ab initio ground and the first excited adiabatic and quasidiabatic potential energy surfaces of H + + CO system

    Science.gov (United States)

    George, D. X. F.; Kumar, Sanjay

    2010-08-01

    Ab initio global adiabatic as well as quasidiabatic potential energy surfaces for the ground and the first excited electronic states of the H + + CO system have been computed as a function of the Jacobi coordinates ( R, r, γ) using Dunning's cc-pVTZ basis set at the internally contracted multi-reference (single and double) configuration interaction level of accuracy. In addition, nonadiabatic coupling matrix elements arising from radial motion, mixing angle and coupling potential have been computed using the ab initio procedure [Simah et al. (1999) [66

  5. Adiabatic cooling for cold polar molecules on a chip using a controllable high-efficiency electrostatic surface trap

    International Nuclear Information System (INIS)

    We propose a controllable high-efficiency electrostatic surface trap for cold polar molecules on a chip by using two insulator-embedded charged rings and a grounded conductor plate. We calculate Stark energy structure pattern of ND3 molecules in an external electric field using the method of matrix diagonalization. We analyze how the voltages that are applied to the ring electrodes affect the depth of the efficient well and the controllability of the distance between the trap center and the surface of the chip. To obtain a better understanding, we simulate the dynamical loading and trapping processes of ND3 molecules in a |J,KM〉 = |1, − 1〉 state by using classical Monte—Carlo method. Our study shows that the loading efficiency of our trap can reach ∼ 88%. Finally, we study the adiabatic cooling of cold molecules in our surface trap by linearly lowering the potential-well depth (i.e., lowering the trapping voltage), and find that the temperature of the trapped ND3 molecules can be adiabatically cooled from 34.5 mK to ∼ 5.8 mK when the trapping voltage is reduced from −35 kV to −3 kV. (atomic and molecular physics)

  6. Ab initio adiabatic and quasidiabatic potential energy surfaces of lowest four electronic states of the H++O2 system

    Science.gov (United States)

    Xavier, F. George D.; Kumar, Sanjay

    2010-10-01

    Ab initio global adiabatic and quasidiabatic potential energy surfaces of lowest four electronic (1-4 A3″) states of the H++O2 system have been computed in the Jacobi coordinates (R,r,γ) using Dunning's cc-pVTZ basis set at the internally contracted multireference (single and double) configuration interaction level of accuracy, which are relevant to the dynamics studies of inelastic vibrational and charge transfer processes observed in the scattering experiments. The computed equilibrium geometry parameters of the bound [HO2]+ ion in the ground electronic state and other parameters for the transition state for the isomerization process, HOO+⇌OOH+ are in good quantitative agreement with those available from the high level ab initio calculations, thus lending credence to the accuracy of the potential energy surfaces. The nonadiabatic couplings between the electronic states have been analyzed in both the adiabatic and quasidiabatic frameworks by computing the nonadiabatic coupling matrix elements and the coupling potentials, respectively. It is inferred that the dynamics of energy transfer processes in the scattering experiments carried out in the range of 9.5-23 eV would involve all the four electronic states.

  7. Ionization efficiency estimations for the SPES surface ion source

    Science.gov (United States)

    Manzolaro, M.; Andrighetto, A.; Meneghetti, G.; Rossignoli, M.; Corradetti, S.; Biasetto, L.; Scarpa, D.; Monetti, A.; Carturan, S.; Maggioni, G.

    2013-12-01

    Ion sources play a crucial role in ISOL (Isotope Separation On Line) facilities determining, with the target production system, the ion beam types available for experiments. In the framework of the SPES (Selective Production of Exotic Species) INFN (Istituto Nazionale di Fisica Nucleare) project, a preliminary study of the alkali metal isotopes ionization process was performed, by means of a surface ion source prototype. In particular, taking into consideration the specific SPES in-target isotope production, Cs and Rb ion beams were produced, using a dedicated test bench at LNL (Laboratori Nazionali di Legnaro). In this work the ionization efficiency test results for the SPES Ta surface ion source prototype are presented and discussed.

  8. Ion beam studies of surfaces by multiphoton resonance ionization of sputtered neutrals

    International Nuclear Information System (INIS)

    Ionization of neutral atoms sputtered from ion bombarded solids by multiphoton resonance ionization has been recently demonstrated. The ionization efficiency is several orders of magnitude greater than other post-ionization methods. This approach should find applications in the characterization of the chemistry and structure of solid surfaces and in the trace analysis of a wide variety of materials. (author)

  9. Auger neutralization and ionization in grazing ion-surface interaction

    Energy Technology Data Exchange (ETDEWEB)

    Zimny, R. (Inst. of Nuclear Physics, Univ. Muenster (Germany)); Miskovic, Z.L. (Boris Kidric Inst. of Nuclear Sciences, Belgrade (Yugoslavia))

    1991-06-01

    The effect of the projectile velocity parallel to the surface v{sub parallel} on Auger-type neutralization and ionization processes during grazing scattering of atomic particles from surfaces will be discussed. It is found that, contrary to the static case (v{sub parallel}=0), under grazing collision the Auger-type electron exchange between the metallic conduction band and an atomic orbital is a two-way process: atomic particles may be neutralized, as well as ionized. In particular, two types of v{sub parallel} dependence are obtained: (1) a gradual decrease of the final atomic level population with increasing v{sub parallel} in the case of atomic levels below the Fermi level E{sub F}, and (2) a peak-shaped v{sub parallel} dependence for atomic levels above E{sub F}. The leading features of these basic electron-exchange mechanisms between atoms and surfaces are illustrated for various atomic quasi-one-electron systems scattered from silver and magnesium surfaces. (orig.).

  10. Studies of nanosecond pulse surface ionization wave discharges over solid and liquid dielectric surfaces

    International Nuclear Information System (INIS)

    Surface ionization wave discharges generated by high-voltage nanosecond pulses, propagating over a planar quartz surface and over liquid surfaces (distilled water and 1-butanol) have been studied in a rectangular cross section test cell. The discharge was initiated using a custom-made, alternating polarity, high-voltage nanosecond pulse plasma generator, operated at a pulse repetition rate of 100–500 Hz, with a pulse peak voltage and current of 10–15 kV and 7–20 A, respectively, a pulse FWHM of ∼100 ns, and a coupled pulse energy of 2–9 mJ/pulse. Wave speed was measured using a capacitive probe. ICCD camera images demonstrated that the ionization wave propagated predominantly over the quartz wall or over the liquid surface adjacent to the grounded waveguide placed along the bottom wall of the test cell. Under all experimental conditions tested, the surface plasma ‘sheet’ was diffuse and fairly uniform, both for positive and negative polarities. The parameters of ionization wave discharge propagating over distilled water and 1-butanol surfaces were close to those of the discharge over a quartz wall. No perturbation of the liquid surface by the discharge was detected. In most cases, the positive polarity surface ionization wave propagated at a higher speed and over a longer distance compared to the negative polarity wave. For all three sets of experiments (surface ionization wave discharge over quartz, water and 1-butanol), wave speed and travel distance decreased with pressure. Diffuse, highly reproducible surface ionization wave discharge was also observed over the liquid butanol–saturated butanol vapor interface, as well as over the distilled water–saturated water vapor interface, without buffer gas flow. No significant difference was detected between surface ionization discharges sustained using single-polarity (positive or negative), or alternating polarity high-voltage pulses. Plasma emission images yielded preliminary evidence of charge

  11. Ionization dynamics of water dimer on ice surface

    Science.gov (United States)

    Tachikawa, Hiroto

    2016-05-01

    The solid surface provides an effective two-dimensional reaction field because the surface increases the encounter probability of bi-molecular collision reactions. Also, the solid surface stabilizes a reaction intermediate because the excess energy generated by the reaction dissipates into the bath modes of surface. The ice surface in the universe is one of the two dimensional reaction fields. However, it is still unknown how the ice surface affects to the reaction mechanism. In the present study, to elucidate the specific property of the ice surface reaction, ionization dynamics of water dimer adsorbed on the ice surface was theoretically investigated by means of direct ab-initio molecular dynamics (AIMD) method combined with ONIOM (our own n-layered integrated molecular orbital and molecular mechanics) technique, and the result was compared with that of gas phase reaction. It was found that a proton is transferred from H2O+ to H2O within the dimer and the intermediate complex H3O+(OH) is formed in both cases. However, the dynamic features were different from each other. The reaction rate of the proton transfer on the ice surface was three times faster than that in the gas phase. The intermediate complex H3O+(OH) was easily dissociated to H3O+ and OH radical on the ice surface, and the lifetime of the complex was significantly shorter than that of gas phase (100 fs vs. infinite). The reason why the ice surface accelerates the reaction was discussed in the present study.

  12. Simulation and Comparison of Martian Surface Ionization Radiation

    Science.gov (United States)

    Kim, Myung-Hee Y.; Zeitlin, Cary; Hassler, Donald M.; Cucinotta, Francis A.

    2013-01-01

    The spectrum of energetic particle radiation and corresponding doses at the surface of Mars is being characterized by the Radiation Assessment Detector (RAD), one of ten science instruments on the Mars Science Laboratory (MSL) Curiosity Rover. The time series of dose rate for the first 300 Sols after landing on Mars on August 6, 2012 is presented here. For the comparison to RAD measurements of dose rate, Martian surface ionization radiation is simulated by utilizing observed space quantities. The GCR primary radiation spectrum is calculated by using the Badhwar-O'Neill 2011 (BO11) galactic cosmic ray (GCR) model, which has been developed by utilizing all balloon and satellite GCR measurements since 1955 and the newer 1997-2012 Advanced Composition Explorer (ACE) measurements. In the BO11 model, solar modulation of the GCR primary radiation spectrum is described in terms of the international smoothed sunspot number and a time delay function. For the transport of the impingent GCR primary radiation through Mars atmosphere, a vertical distribution of atmospheric thickness at each elevation is calculated using the vertical profiles of atmospheric temperature and pressure made by Mars Global Surveyor measurements. At Gale Crater in the southern hemisphere, the seasonal variation of atmospheric thickness is accounted for the daily atmospheric pressure measurements of the MSL Rover Environmental Monitoring Station (REMS) by using low- and high-density models for cool- and warm-season, respectively. The spherically distributed atmospheric distance is traced along the slant path, and the resultant directional shielding by Martian atmosphere is coupled with Curiosity vehicle for dose estimates. We present predictions of dose rate and comparison to the RAD measurements. The simulation agrees to within +/- 20% with the RAD measurements showing clearly the variation of dose rate by heliospheric conditions, and presenting the sensitivity of dose rate by atmospheric pressure

  13. Simultaneous treatment of polymer surface by EUV radiation and ionized nitrogen

    Energy Technology Data Exchange (ETDEWEB)

    Bartnik, Andrzej; Wachulak, Przemyslaw; Budner, Boguslaw; Korczyc, Barbara; Fiedorowicz, Henryk [Military University of Technology, Institute of Optoelectronics, Warsaw (Poland); Lisowski, Wojciech; Sobczak, Janusz [Polish Academy of Sciences, Institute of Physical Chemistry, Warsaw (Poland)

    2012-10-15

    In this paper chemical modification of a poly(vinylidene fluoride) surface by extreme ultraviolet (EUV) irradiation in a presence of ionized nitrogen was demonstrated for the first time. Nitrogen gas, injected into an interaction region, was ionized and excited by the EUV radiation from a laser-plasma source. The ionization degree and excited states of nitrogen were investigated using EUV spectrometry and the corresponding spectra are presented. Chemical modification of polymer after combined EUV and ionized nitrogen treatment was investigated using X-ray photoelectron spectroscopy. A significant contribution of nitrogen atoms in near-surface layer of the polymer after the treatment was demonstrated. (orig.)

  14. Surface and Bulk Nanostructuring of Polymers Using Ionizing Radiation

    International Nuclear Information System (INIS)

    Ionizing radiation has long been known tobe a powerful tool in modifying and controlled the properties, forms and eventually end-uses of polymeric materials for a variety of applications. Industrial applications are full of successful examples of macro scale, bulk property modifications by radiation. Extremely short wavelength of ionizing radiation however, makes it an important and useful tool in creating very small size structures in polymers

  15. Silicon nitride nanoparticles for surface-assisted laser desorption/ionization of small molecules

    International Nuclear Information System (INIS)

    Conventional matrix-assisted laser desorption/ionization mass spectrometry is limited to analyses of higher molecular weight compounds due to high background noise generated by the matrix in the lower mass region. Surface-assisted laser desorption/ionization (SALDI) mass spectrometry is an alternative solution to this problem. Nanoparticles, structured silicon surfaces and carbon allotropes are commonly used as SALDI surfaces. Here, for the first time, we demonstrate the application of silicon nitride nanoparticles as a suitable medium for laser desorption/ionization of small drug molecules.

  16. Influence of wall emissivity and convective heat transfer coefficient on the adiabatic surface temperature as thermal/structural parameter in fire modeling

    International Nuclear Information System (INIS)

    In fire engineering analysis, one of the open problem is the transfer of thermal parameters obtained by fire CFD model to FEM models for structural analysis. In this study the new useful concept of “Adiabatic Surface Temperature” or more commonly known as AST, introduced by Wickström, is investigated. The adiabatic surface temperature offers the opportunity to transfer both thermal information of the gas and the net heat flux to the solid phase model, obtained by CFD analysis. In this study two CFD analyses are carried out in order to evaluate the effect of emissivity and of convective heat transfer coefficient to determine the AST. First one CFD analysis simulating a fire scenario, “conjugate heat transfer”, with a square steel beam exposed to hot surface is carried out to calculate AST, heat convective coefficient and temperature field in the beam. Second one, a conductive analysis is carried out on “standalone beam” imposing a third type boundary condition on its boundaries assuming the AST, evaluated in the conjugate analysis, as external temperature. Different heat convective coefficients are imposed on the beam walls. The comparison between results obtained by means of the two proposed analyses shows the use of AST as transfer thermal parameter between CFD (Computational Fluid Dynamic) and FEM (Finite Element Method) models is appropriate when the convective heat transfer coefficient is properly evaluated. -- Highlights: ► An open problem is to transfer parameters obtained by thermal to structural models. ► The useful concept of “Adiabatic Surface Temperature” (AST) is investigated. ► The AST use is right for properly evaluated convective heat transfer coefficient

  17. On the topology of adiabatic passage

    CERN Document Server

    Yatsenko, L P; Jauslin, H R

    2002-01-01

    We examine the topology of eigenenergy surfaces characterizing the population transfer processes based on adiabatic passage. We show that this topology is the essential feature for the analysis of the population transfers and the prediction of its final result. We reinterpret diverse known processes, such as stimulated Raman adiabatic passage (STIRAP), frequency-chirped adiabatic passage and Stark-chirped rapid adiabatic passage (SCRAP). Moreover, using this picture, we display new related possibilities of transfer. In particular, we show that we can selectively control the level which will be populated in STIRAP process in Lambda or V systems by the choice of the peak amplitudes or the pulse sequence.

  18. Development of a surface ionization source for the production of radioactive alkali ion beams in SPIRAL

    Energy Technology Data Exchange (ETDEWEB)

    Eleon, C. [GANIL, CEA/DSM CNRS/IN2P3, Bd H. Becquerel, BP 55027, 14076 CAEN cedex 5 (France)], E-mail: sceleon@triumf.ca; Jardin, P.; Gaubert, G.; Saint-Laurent, M.-G.; Alcantara-Nunez, J.; Alves Conde, R.; Barue, C.; Boilley, D.; Cornell, J. [GANIL, CEA/DSM CNRS/IN2P3, Bd H. Becquerel, BP 55027, 14076 CAEN cedex 5 (France); Delahaye, P. [3 CERN ISOLDE, 1211 Geneva 23 (Switzerland); Dubois, M.; Jacquot, B.; Leherissier, P.; Leroy, R.; Lhersonneau, G. [GANIL, CEA/DSM CNRS/IN2P3, Bd H. Becquerel, BP 55027, 14076 CAEN cedex 5 (France); Marie-Jeanne, M. [3 CERN ISOLDE, 1211 Geneva 23 (Switzerland); Maunoury, L. [CIRIL, Bd H. Becquerel, BP 55027, 14076 CAEN cedex 5 (France); Pacquet, J.Y.; Pellemoine, F. [GANIL, CEA/DSM CNRS/IN2P3, Bd H. Becquerel, BP 55027, 14076 CAEN cedex 5 (France); Pierret, C. [CIRIL, Bd H. Becquerel, BP 55027, 14076 CAEN cedex 5 (France)] (and others)

    2008-10-15

    In the framework of the production of radioactive alkali ion beams by the isotope separation on-line (ISOL) method in SPIRAL I, a surface ionization source has been developed at GANIL to produce singly-charged ions of Li, Na and K. This new source has been designed to work in the hostile environment whilst having a long lifetime. This new system of production has two ohmic heating components: the first for the target oven and the second for the ionizer. The latter, being in carbon, offers high reliability and competitive ionization efficiency. This surface ionization source has been tested on-line using a {sup 48}Ca primary beam at 60.3 A MeV with an intensity of 0.14 pA. The ionization efficiencies obtained for Li, Na and K are significantly better than the theoretical values of the ionization probability per contact. The enhanced efficiency, due to the polarization of the ionizer, is shown to be very important also for short-lived isotopes. In the future, this source will be associated with the multicharged electron-cyclotron-resonance (ECR) ion source NANOGAN III for production of multicharged alkali ions in SPIRAL. The preliminary tests of the set up are also presented in this contribution.

  19. Development of a surface ionization source for the SPIRAL 2 project

    Energy Technology Data Exchange (ETDEWEB)

    Pichard, A.; Jardin, P.; Saint-Laurent, M.-G.; Frigot, R.; Bajeat, O.; Delahaye, P.; Dubois, M.; Fraanberg-Delahaye, H.; Lecomte, P.; Leherissier, P.; Leroy, R.; Lecesne, N.; Maunoury, L.; Mery, A.; Pacquet, J. Y. [GANIL, Bd Henri Becquerel, BP 55027, 14076 Caen Cedex 5 (France); Collaboration: GANISOL Team

    2010-02-15

    Development of new radioactive beams, and thus of new target ion sources (TISs) for isotope-separator-on-line production systems are in progress at GANIL for the SPIRAL 2 project. The efficiency and time response measurements of each step in the production process are crucial to predict and maximize the available yields, in particular, for short lived isotopes. This paper presents a method for measuring these quantities that makes use of a stable alkali chopped beam of controlled intensity. This method was applied to surface ionization source test for high efficiency. Results of recent experiments are presented that include ionization efficiency measurements for Cs, Rb, K, Na, and Li with a graphite and rhenium ionizer and dwell time of these alkalis on graphite. The results enabled to design a first surface ionization source prototype which will be installed in the SPIRAL 2 TIS.

  20. Plasma channel created by ionization of gas by a surface wave

    International Nuclear Information System (INIS)

    Conditions for gas ionization in the field of a slow surface wave excited by a microwave source are considered. The gas ionization rate and the plasma density distribution over the radius of the discharge tube were studied by the optical method. The experiments were conducted in a dielectric tube with a radius much smaller than the tube length, the gas pressure being ∼1–3 Torr. It is shown that the stationary distribution of the plasma density is determined by diffusion processes

  1. Ab initio adiabatic and quasidiabatic potential energy surfaces of H+ + CO system: A study of the ground and the first three excited electronic states

    Science.gov (United States)

    Saheer, V. C.; Kumar, Sanjay

    2016-01-01

    The global ground and first three excited electronic state adiabatic as well as the corresponding quasidiabatic potential energy surfaces is reported as a function of nuclear geometries in the Jacobi coordinates ( R → , r → , γ ) using Dunning's cc-pVTZ basis set at the internally contracted multi-reference (single and double) configuration interaction level of accuracy. Nonadiabatic couplings, arising out of relative motion of proton and the vibrational motion of CO, are also reported in terms of coupling potentials. The quasidiabatic potential energy surfaces and the coupling potentials have been obtained using the ab initio procedure [Simah et al., J. Chem. Phys. 111, 4523 (1999)] for the purpose of dynamics studies.

  2. Thermal criticality for a reactive gravity driven thin film flow of a third-grade fluid with adiabatic free surface down an inclined plane

    Institute of Scientific and Technical Information of China (English)

    Oluwole Daniel Makinde

    2009-01-01

    This study is devoted to the investigation of thermal criticality for a reactive gravity driven thin film flow of a third-grade fluid with adiabatic free surface down an inclined isothermal plane. It is assumed that the reaction is exothermic under Arrhenius kinetics, neglecting the consumption of the material. The governing non-linear equations for conservation of momentum and energy are obtained and solved by using a new com-implemented in MAPLE. This semi-numerical scheme offers some advantages over solu-tions obtained with traditional methods such as finite differences, spectral method, and shooting method. It reveals the analytical structure of the solution function. Important properties of overall flow structure including velocity field, temperature field, thermal criticality, and bifurcations are discussed.

  3. Modelling non-adiabatic effects in H_3^+: Solution of the rovibrational Schrödinger equation with motion-dependent masses and mass surfaces

    Science.gov (United States)

    Mátyus, Edit; Szidarovszky, Tamás; Császár, Attila G.

    2014-10-01

    Introducing different rotational and vibrational masses in the nuclear-motion Hamiltonian is a simple phenomenological way to model rovibrational non-adiabaticity. It is shown on the example of the molecular ion H_3^+, for which a global adiabatic potential energy surface accurate to better than 0.1 cm-1 exists [M. Pavanello, L. Adamowicz, A. Alijah, N. F. Zobov, I. I. Mizus, O. L. Polyansky, J. Tennyson, T. Szidarovszky, A. G. Császár, M. Berg et al., Phys. Rev. Lett. 108, 023002 (2012)], that the motion-dependent mass concept yields much more accurate rovibrational energy levels but, unusually, the results are dependent upon the choice of the embedding of the molecule-fixed frame. Correct degeneracies and an improved agreement with experimental data are obtained if an Eckart embedding corresponding to a reference structure of D3h point-group symmetry is employed. The vibrational mass of the proton in H_3^+ is optimized by minimizing the root-mean-square (rms) deviation between the computed and recent high-accuracy experimental transitions. The best vibrational mass obtained is larger than the nuclear mass of the proton by approximately one third of an electron mass, m^(v)_opt,p=m_nuc,p+0.31224 m_e. This optimized vibrational mass, along with a nuclear rotational mass, reduces the rms deviation of the experimental and computed rovibrational transitions by an order of magnitude. Finally, it is shown that an extension of the algorithm allowing the use of motion-dependent masses can deal with coordinate-dependent mass surfaces in the rovibrational Hamiltonian, as well.

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

    Energy Technology Data Exchange (ETDEWEB)

    Mátyus, Edit, E-mail: matyus@chem.elte.hu [Institute of Chemistry, Eötvös University, P.O. Box 32, H-1518 Budapest 112 (Hungary); Szidarovszky, Tamás [MTA-ELTE Research Group on Complex Chemical Systems, Pázmány Péter sétány 1/A, H-1117 Budapest (Hungary); Császár, Attila G., E-mail: csaszar@chem.elte.hu [Institute of Chemistry, Eötvös University, P.O. Box 32, H-1518, Budapest 112, Hungary and MTA-ELTE Research Group on Complex Chemical Systems, Pázmány Péter sétány 1/A, H-1117 Budapest (Hungary)

    2014-10-21

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

  5. Measurement of surface alpha-acrivity of different samples with ion pulse ionization chamber

    CERN Document Server

    Gavriljuk, Yu M; Gangapshev, A M; Kazalov, V V; Kuzminov, V V; Panasenko, S I; Ratkevich, S S

    2007-01-01

    The construction of an ion pulse ionization chamber aimed at measuring ultra-low levels of surface alpha-activity of different samples is described. The results of measurement carried out with alpha-source and copper samples and light-reflecting film VM2000 are presented.

  6. Development of resonance ionization spectroscopy system for fusion material surface analysis

    Energy Technology Data Exchange (ETDEWEB)

    Iguchi, Tetsuo [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.; Satoh, Yasushi; Nakazawa, Masaharu

    1996-10-01

    A Resonance Ionization Spectroscopy (RIS) system is now under development aiming at in-situ observation and analysis neutral particles emitted from fusion material surfaces under irradiation of charged particles and neutrons. The basic performance of the RIS system was checked through a preliminary experiment on Xe atom detection. (author)

  7. Solar irradiance changes and photobiological effects at Earth's surface following astrophysical ionizing radiation events

    CERN Document Server

    Thomas, Brian C; Snyder, Brock R

    2015-01-01

    Astrophysical ionizing radiation events have been recognized as a potential threat to life on Earth, primarily through depletion of stratospheric ozone and subsequent increase in surface-level solar ultraviolet radiation. Simulations of the atmospheric effects of a variety of events (such as supernovae, gamma-ray bursts, and solar proton events) have been previously published, along with estimates of biological damage at Earth's surface. In this work, we employed the TUV radiative transfer model to expand and improve calculations of surface-level irradiance and biological impacts following an ionizing radiation event. We considered changes in surface-level UVB, UVA, and photosynthetically active radiation (visible light) for clear-sky conditions and fixed aerosol parameter values. We also considered a wide range of biological effects on organisms ranging from humans to phytoplankton. We found that past work overestimated UVB irradiance, but that relative estimates for increase in exposure to DNA damaging radi...

  8. Solar irradiance changes and photobiological effects at Earth's surface following astrophysical ionizing radiation events

    OpenAIRE

    Thomas, Brian C.; Neale, Patrick J.; Snyder II, Brock R.

    2015-01-01

    Astrophysical ionizing radiation events have been recognized as a potential threat to life on Earth, primarily through depletion of stratospheric ozone and subsequent increase in surface-level solar ultraviolet radiation. Simulations of the atmospheric effects of a variety of events (such as supernovae, gamma-ray bursts, and solar proton events) have been previously published, along with estimates of biological damage at Earth's surface. In this work, we employed the TUV radiative transfer mo...

  9. Surface-assisted laser desorption ionization mass spectrometry techniques for application in forensics.

    Science.gov (United States)

    Guinan, Taryn; Kirkbride, Paul; Pigou, Paul E; Ronci, Maurizio; Kobus, Hilton; Voelcker, Nicolas H

    2015-01-01

    Matrix-assisted laser desorption ionization (MALDI) mass spectrometry (MS) is an excellent analytical technique for the rapid and sensitive analysis of macromolecules (>700 Da), such as peptides, proteins, nucleic acids, and synthetic polymers. However, the detection of smaller organic molecules with masses below 700 Da using MALDI-MS is challenging due to the appearance of matrix adducts and matrix fragment peaks in the same spectral range. Recently, nanostructured substrates have been developed that facilitate matrix-free laser desorption ionization (LDI), contributing to an emerging analytical paradigm referred to as surface-assisted laser desorption ionization (SALDI) MS. Since SALDI enables the detection of small organic molecules, it is rapidly growing in popularity, including in the field of forensics. At the same time, SALDI also holds significant potential as a high throughput analytical tool in roadside, work place and athlete drug testing. In this review, we discuss recent advances in SALDI techniques such as desorption ionization on porous silicon (DIOS), nano-initiator mass spectrometry (NIMS) and nano assisted laser desorption ionization (NALDI™) and compare their strengths and weaknesses with particular focus on forensic applications. These include the detection of illicit drug molecules and their metabolites in biological matrices and small molecule detection from forensic samples including banknotes and fingerprints. Finally, the review highlights recent advances in mass spectrometry imaging (MSI) using SALDI techniques.

  10. Adiabatic turbocompound diesel engine

    Energy Technology Data Exchange (ETDEWEB)

    Kamo, R.; Bryzik, W.

    1984-02-01

    The research and development of an adiabatic turbocompound engine have shown that the concept is feasible. The ability to meet the performance and sociability goals of the future power plants has been demonstrated. Low brake specific fuel consumption, low smoke and particulates, better NO /SUB x/ -BSFC trade-off, excellent multifuel capability, white smoke suppression, and potentially lower maintenance and greater reliability and durability are some of the attributes. The absence of the water cooling system adds to its attractiveness because of lower installed weight, cost, and reduction in parasitic losses. The operating environment of an adiabatic engine is shown as the basis for analysis and designing of adiabatic components. The types of material which can satisfy the needs of an adiabatic engine are presented. These materials include high temperature metals, high performance ceramics, and glass ceramics. The use of a turbocompound system to utilize the increased exhaust energy of an adiabatic engine is covered. A minimum fuel consumption of 0.285 lb/bhp-hr was achieved at 200 psi BMEP. Although the technical feasibility and viability of an adiabatic engine was demonstrated, the adiabatic diesel engine has problems which must be solved before it becomes a commercially viable product. These problem areas where more work is required are discussed.

  11. Quantum adiabatic machine learning

    CERN Document Server

    Pudenz, Kristen L

    2011-01-01

    We develop an approach to machine learning and anomaly detection via quantum adiabatic evolution. In the training phase we identify an optimal set of weak classifiers, to form a single strong classifier. In the testing phase we adiabatically evolve one or more strong classifiers on a superposition of inputs in order to find certain anomalous elements in the classification space. Both the training and testing phases are executed via quantum adiabatic evolution. We apply and illustrate this approach in detail to the problem of software verification and validation.

  12. Effects of Tailored Surface Chemistry on Desorption Electrospray Ionization Mass Spectrometry: a Surface-Analytical Study by XPS and AFM

    Science.gov (United States)

    Penna, Andrea; Careri, Maria; Spencer, Nicholas D.; Rossi, Antonella

    2015-08-01

    Since it was proposed for the first time, desorption electrospray ionization-mass spectrometry (DESI-MS) has been evaluated for applicability in numerous areas. Elucidations of the ionization mechanisms and the subsequent formation of isolated gas-phase ions have been proposed so far. In this context, the role of both surface and pneumatic effects on ion-formation yield has recently been investigated. Nevertheless, the effect of the surface chemistry has not yet been completely understood. Functionalized glass surfaces have been prepared, in order to tailor surface performance for ion formation. Three substrates were functionalized by depositing three different silanes [3-mercaptopropyltriethoxysilane (MTES), octyltriethoxysilane (OTES), and 1H,1H,2H,2H-perfluorooctyltriethoxy-silane (FOTES)] from toluene solution onto standard glass slides. Surface characterization was carried out by contact-angle measurements, tapping-mode atomic force microscopy, and X-ray photoelectron spectroscopy. Morphologically homogeneous and thickness-controlled films in the nm range were obtained, with surface free energies lying between 15 and 70 mJ/m2. These results are discussed, together with those of DESI-MS on low-molecular-weight compounds such as melamine, tetracycline, and lincomycin, also taking into account the effects of the sprayer potential and its correlation with surface wettability. The results demonstrate that ion-formation efficiency is affected by surface wettability, and this was demonstrated operating above and below the onset of the electrospray.

  13. Applications of Adiabatic Approximation to One- and Two-electron Phenomena in Strong Laser Fields

    CERN Document Server

    Bondar, Denys

    2010-01-01

    The adiabatic approximation is a natural approach for the description of phenomena induced by low frequency laser radiation because the ratio of the laser frequency to the characteristic frequency of an atom or a molecule is a small parameter. Since the main aim of this work is the study of ionization phenomena, the version of the adiabatic approximation that can account for the transition from a bound state to the continuum must be employed. Despite much work in this topic, a universally accepted adiabatic approach of bound-free transitions is lacking. Hence, based on Savichev's modified adiabatic approximation [Sov. Phys. JETP 73, 803 (1991)], we first of all derive the most convenient form of the adiabatic approximation for the problems at hand. Connections of the obtained result with the quasiclassical approximation and other previous investigations are discussed. Then, such an adiabatic approximation is applied to single-electron ionization and non-sequential double ionization of atoms in a strong low fr...

  14. Solar Irradiance Changes And Photobiological Effects At Earth's Surface Following Astrophysical Ionizing Radiation Events

    Science.gov (United States)

    Thomas, Brian; Neale, Patrick

    2016-01-01

    Astrophysical ionizing radiation events have been recognized as a potential threat to life on Earth for decades. Although there is some direct biological damage on the surface from redistributed radiation several studies have indicated that the greatest long term threat is from ozone depletion and subsequent heightened solar ultraviolet (UV) radiation. It is known that organisms exposed to this irradiation experience harmful effects such as sunburn and even direct damage to DNA, proteins, or other cellular structures. Simulations of the atmospheric effects of a variety of events (such as supernovae, gamma-ray bursts, and solar proton events) have been previously published, along with estimates of biological damage at Earth's surface. In the present work, we employed a radiative transfer model to expand and improve calculations of surface-level irradiance and biological impacts following an ionizing radiation event. We considered changes in surface-level UVB, UVA, and photosynthetically active radiation (visible light). Using biological weighting functions we have considered a wide range of effects, including: erythema and skin cancer in humans; inhibition of photosynthesis in the diatom Phaeodactylum sp. and dinoflagellate Prorocentrum micans inhibition of carbon fixation in Antarctic phytoplankton; inhibition of growth of oat (Avena sativa L. cv. Otana) seedlings; and cataracts. We found that past work overestimated UVB irradiance, but that relative estimates for increase in exposure to DNA damaging radiation are still similar to our improved calculations. We also found that the intensity of biologically damaging radiation varies widely with organism and specific impact considered; these results have implications for biosphere-level damage following astrophysical ionizing radiation events. When considering changes in surface-level visible light irradiance, we found that, contrary to previous assumptions, a decrease in irradiance is only present for a short time in

  15. Adiabatic Markovian Dynamics

    CERN Document Server

    Oreshkov, Ognyan

    2010-01-01

    We propose a theory of adiabaticity in quantum Markovian dynamics based on a structural decomposition of the Hilbert space induced by the asymptotic behavior of the Lindblad semigroup. A central idea of our approach is that the natural generalization of the concept of eigenspace of the Hamiltonian in the case of Markovian dynamics is a noiseless subsystem with a minimal noisy cofactor. Unlike previous attempts to define adiabaticity for open systems, our approach deals exclusively with physical entities and provides a simple, intuitive picture at the underlying Hilbert-space level, linking the notion of adiabaticity to the theory of noiseless subsystems. As an application of our theory, we propose a framework for decoherence-assisted computation in noiseless codes under general Markovian noise. We also formulate a dissipation-driven approach to holonomic computation based on adiabatic dragging of subsystems that is generally not achievable by non-dissipative means.

  16. Evidence for DCO+ as a probe of ionization in the warm disk surface

    CERN Document Server

    Favre, Cécile; Cleeves, L Ilsedore; Hersant, Franck; Qi, Chunhua; Aikawa, Yuri

    2015-01-01

    In this Letter we model the chemistry of DCO$^{+}$ in protoplanetary disks. We find that the overall distribution of the DCO$^{+}$ abundance is qualitatively similar to that of CO but is dominated by thin layer located at the inner disk surface. To understand its distribution, we investigate the different key gas-phase deuteration pathways that can lead to the formation of DCO$^{+}$. Our analysis shows that the recent update in the exothermicity of the reaction involving CH$_2$D$^{+}$ as a parent molecule of DCO$^{+}$ favors deuterium fractionation in warmer conditions. As a result the formation of DCO$^{+}$ is enhanced in the inner warm surface layers of the disk where X-ray ionization occurs. Our analysis points out that DCO$^{+}$ is not a reliable tracer of the CO snow line as previously suggested. We thus predict that DCO$^{+}$ is a tracer of active deuterium and in particular X-ray ionization of the inner disk.

  17. Laser desorption/ionization from nanostructured surfaces: nanowires, nanoparticle films and silicon microcolumn arrays

    International Nuclear Information System (INIS)

    Due to their optical properties and morphology, thin films formed of nanoparticles are potentially new platforms for soft laser desorption/ionization (SLDI) mass spectrometry. Thin films of gold nanoparticles (with 12±1 nm particle size) were prepared by evaporation-driven vertical colloidal deposition and used to analyze a series of directly deposited polypeptide samples. In this new SLDI method, the required laser fluence for ion detection was equal or less than what was needed for matrix-assisted laser desorption/ionization (MALDI) but the resulting spectra were free of matrix interferences. A silicon microcolumn array-based substrate (a.k.a. black silicon) was developed as a new matrix-free laser desorption ionization surface. When low-resistivity silicon wafers were processed with a 22 ps pulse length 3xω Nd:YAG laser in air, SF6 or water environment, regularly arranged conical spikes emerged. The radii of the spike tips varied with the processing environment, ranging from approximately 500 nm in water, to ∼2 μm in SF6 gas and to ∼5 μm in air. Peptide mass spectra directly induced by a nitrogen laser showed the formation of protonated ions of angiotensin I and II, substance P, bradykinin fragment 1-7, synthetic peptide, pro14-arg, and insulin from the processed silicon surfaces but not from the unprocessed areas. Threshold fluences for desorption/ionization were similar to those used in MALDI. Although compared to silicon nanowires the threshold laser pulse energy for ionization is significantly (∼10x) higher, the ease of production and robustness of microcolumn arrays offer complementary benefits

  18. Laser desorption/ionization from nanostructured surfaces: nanowires, nanoparticle films and silicon microcolumn arrays

    Energy Technology Data Exchange (ETDEWEB)

    Chen Yong [Department of Chemistry, George Washington University, Washington, DC 20052 (United States); Luo Guanghong [Department of Chemistry, George Washington University, Washington, DC 20052 (United States); Diao Jiajie [Department of Physics, George Washington University, Washington, DC 20052 (United States); Chornoguz, Olesya [Department of Chemistry, George Washington University, Washington, DC 20052 (United States); Reeves, Mark [Department of Physics, George Washington University, Washington, DC 20052 (United States); Vertes, Akos [Department of Chemistry, George Washington University, Washington, DC 20052 (United States)

    2007-04-15

    Due to their optical properties and morphology, thin films formed of nanoparticles are potentially new platforms for soft laser desorption/ionization (SLDI) mass spectrometry. Thin films of gold nanoparticles (with 12{+-}1 nm particle size) were prepared by evaporation-driven vertical colloidal deposition and used to analyze a series of directly deposited polypeptide samples. In this new SLDI method, the required laser fluence for ion detection was equal or less than what was needed for matrix-assisted laser desorption/ionization (MALDI) but the resulting spectra were free of matrix interferences. A silicon microcolumn array-based substrate (a.k.a. black silicon) was developed as a new matrix-free laser desorption ionization surface. When low-resistivity silicon wafers were processed with a 22 ps pulse length 3x{omega} Nd:YAG laser in air, SF{sub 6} or water environment, regularly arranged conical spikes emerged. The radii of the spike tips varied with the processing environment, ranging from approximately 500 nm in water, to {approx}2 {mu}m in SF{sub 6} gas and to {approx}5 {mu}m in air. Peptide mass spectra directly induced by a nitrogen laser showed the formation of protonated ions of angiotensin I and II, substance P, bradykinin fragment 1-7, synthetic peptide, pro14-arg, and insulin from the processed silicon surfaces but not from the unprocessed areas. Threshold fluences for desorption/ionization were similar to those used in MALDI. Although compared to silicon nanowires the threshold laser pulse energy for ionization is significantly ({approx}10x) higher, the ease of production and robustness of microcolumn arrays offer complementary benefits.

  19. Water Radiolysis: Influence of Oxide Surfaces on H2 Production under Ionizing Radiation

    Directory of Open Access Journals (Sweden)

    Sophie Le Caër

    2011-02-01

    Full Text Available The radiolysis of water due to ionizing radiation results in the production of electrons, H· atoms, ·OH radicals, H3O+ ions and molecules (dihydrogen H2 and hydrogen peroxide H2O2. A brief history of the development of the understanding of water radiolysis is presented, with a focus on the H2 production. This H2 production is strongly modified at oxide surfaces. Different parameters accounting for this behavior are presented.

  20. Water radiolysis: Influence of oxide surfaces on H2 production under ionizing radiation

    International Nuclear Information System (INIS)

    The radiolysis of water due to ionizing radiation results in the production of electrons, H and OH radicals, H3O+ ions and molecules (dihydrogen H2 and hydrogen peroxide H2O2). A brief history of the development of the understanding of water radiolysis is presented, with a focus on the H2 production. This H2 production is strongly modified at oxide surfaces. Different parameters accounting for this behavior are presented. (author)

  1. Resonance ionization of sputtered atoms: Quantitative analysis in the near-surface region of silicon wafers

    Science.gov (United States)

    Calaway, W. F.; Spiegel, D. R.; Marshall, A. H.; Downey, S. W.; Pellin, M. J.

    1997-02-01

    The unambiguous identification and quantification of low levels of metallic impurities on Si wafers are difficult problems due to the rapidly changing chemical activity near the surface. Air-exposed Si surfaces typically possess a native oxide layer several atoms thick plus a top monolayer of various silicon-containing molecules. Resonance ionization spectroscopy (RIS) used for postionization in secondary neutral mass spectrometry (SNMS) is uniquely suited to this task. The high sensitivity of this technique allows detection of metals at parts per billion levels with monolayer sensitivity. The high selectivity of RIS allows unambiguous identification of elements, while the reduced matrix effects of SNMS allow quantification of the photoionized element. Characterization of Si surfaces using RIS/SNMS has been explored by measuring the concentration profiles of Ca in the near-surface region of Si wafers of varying degrees of cleanliness. Calcium detection can be problematic due to the isobaric interference with SiC, particularly in the near-surface region during fabrication of devices due to the use of organic photoresist. Three different resonance ionization schemes for Ca have been examined and compared for effectiveness by calculating detection limits for Ca in Si in the chemically active near-surface region.

  2. Resonant coherent ionization in grazing ion/atom-surface collisions at high velocities

    Energy Technology Data Exchange (ETDEWEB)

    Garcia de Abajo, F.J. (Dept. de Ciencias de la Computacion e Inteligencia Artificial, Facultad de Informatica, Univ. del Pais Vasco, San Sebastian (Spain)); Pitarke, J.M. (Materia Kondentsatuaren Fisika Saila, Zientzi Fakultatea, Euskal Herriko Univ., Bilbo (Spain))

    1994-05-01

    The resonant coherent interaction of a fast ion/atom with an oriented crystal surface under grazing incidence conditions is shown to contribute significantly to ionize the probe for high enough velocities and motion along a random direction. The dependence of this process on both the distance to the surface and the velocity of the projectile is studied in detail. We focus on the case of hydrogen moving with a velocity above 2 a.u. Comparison with other mechanisms of charge transfer, such as capture from inner shells of the target atoms, permits us to draw some conclusions about the charge state of the outgoing projectiles. (orig.)

  3. In-Situ Organic Compound Analysis of the Meteorite Surface by Desorption Electrospray Ionization Coupled with an Orbitrap Mass Spectrometer

    Science.gov (United States)

    Naraoka, H.; Hashiguchi, M.

    2016-08-01

    It-situ analysis of organic compounds on the meteorite surface was performed by desorption electrospray ionization coupled with high resolution mass spectrometry. Indigenous peaks of meteorite origin were discriminated from the background.

  4. Ionized dopant concentrations at the heavily doped surface of a silicon solar cell

    Science.gov (United States)

    Weinberg, I.; Broder, J. D.; Mazaris, G. A., Jr.; Hsu, L.

    1978-01-01

    Data are combined with concentrations obtained by a bulk measurement method using successive layer removal with measurements of Hall effect and resistivity. From the MOS (metal-oxide-semiconductor) measurements it is found that the ionized dopant concentration N has the value (1.4 + or - 0.1) x 10 to the 20th power/cu cm at distances between 100 and 220 nm from the n(+) surface. The bulk measurement technique yields average values of N over layers whose thickness is 2000 nm. Results show that, at the higher concentrations encountered at the n(+) surface, the MOS C-V technique, when combined with a bulk measurement method, can be used to evaluate the effects of materials preparation methodologies on the surface and near surface concentrations of silicon cells.

  5. Effect of RANS-Type Turbulence Models on Adiabatic Film Cooling Effectiveness over a Scaled Up Gas Turbine Blade Leading Edge Surface

    Science.gov (United States)

    Yepuri, Giridhara Babu; Talanki Puttarangasetty, Ashok Babu; Kolke, Deepak Kumar; Jesuraj, Felix

    2016-06-01

    Increasing the gas turbine inlet temperature is one of the key technologies in raising gas turbine engine power output. Film cooling is one of the efficient cooling techniques to cool the hot section components of a gas turbine engines in turn the turbine inlet temperature can be increased. This study aims at investigating the effect of RANS-type turbulence models on adiabatic film cooling effectiveness over a scaled up gas turbine blade leading edge surfaces. For the evaluation, five different two equation RANS-type turbulent models have been taken in consideration, which are available in the ANSYS-Fluent. For this analysis, the gas turbine blade leading edge configuration is generated using Solid Works. The meshing is done using ANSYS-Workbench Mesh and ANSYS-Fluent is used as a solver to solve the flow field. The considered gas turbine blade leading edge model is having five rows of film cooling circular holes, one at stagnation line and the two each on either side of stagnation line at 30° and 60° respectively. Each row has the five holes with the hole diameter of 4 mm, pitch of 21 mm arranged in staggered manner and has the hole injection angle of 30° in span wise direction. The experiments are carried in a subsonic cascade tunnel facility at heat transfer lab of CSIR-National Aerospace Laboratory with a Reynolds number of 1,00,000 based on leading edge diameter. From the Computational Fluid Dynamics (CFD) evaluation it is found that K-ɛ Realizable model gives more acceptable results with the experimental values, compared to the other considered turbulence models for this type of geometries. Further the CFD evaluated results, using K-ɛ Realizable model at different blowing ratios are compared with the experimental results.

  6. Nanostructured silicon surface modifications for as a selective matrix-free laser desorption/ionization mass spectrometry.

    Science.gov (United States)

    Tsao, C W; Lin, C H; Cheng, Y C; Chien, C C; Chang, C C; Chen, W Y

    2012-06-01

    Matrix-assisted laser desorption/ionization mass spectrometry is an established soft ionization method that is widely applied to analyze biomolecules. The UV-absorbing organic matrix is essential for biomolecule ionization; however, it also creates matrix background interference, which results in problematic analyses of biomolecules of less than 700 Da. Therefore, this study investigates hydrophilic, hydrophobic cationic, anionic and immobilized metal ion surface chemical modifications to advance nanostructured silicon mass spectrometry performance (nSi-MS). This investigation provides information required for a possible novel mass spectroscopy that combines surface-enhanced and nanostructured silicon surface-assisted laser desorption/ionization mass spectrometry for the selective detection of specific compounds of a mixture. PMID:22531330

  7. Assessment of total efficiency in adiabatic engines

    Science.gov (United States)

    Mitianiec, W.

    2016-09-01

    The paper presents influence of ceramic coating in all surfaces of the combustion chamber of SI four-stroke engine on working parameters mainly on heat balance and total efficiency. Three cases of engine were considered: standard without ceramic coating, fully adiabatic combustion chamber and engine with different thickness of ceramic coating. Consideration of adiabatic or semi-adiabatic engine was connected with mathematical modelling of heat transfer from the cylinder gas to the cooling medium. This model takes into account changeable convection coefficient based on the experimental formulas of Woschni, heat conductivity of multi-layer walls and also small effect of radiation in SI engines. The simulation model was elaborated with full heat transfer to the cooling medium and unsteady gas flow in the engine intake and exhaust systems. The computer program taking into account 0D model of engine processes in the cylinder and 1D model of gas flow was elaborated for determination of many basic engine thermodynamic parameters for Suzuki DR-Z400S 400 cc SI engine. The paper presents calculation results of influence of the ceramic coating thickness on indicated pressure, specific fuel consumption, cooling and exhaust heat losses. Next it were presented comparisons of effective power, heat losses in the cooling and exhaust systems, total efficiency in function of engine rotational speed and also comparison of temperature inside the cylinder for standard, semi-adiabatic and full adiabatic engine. On the basis of the achieved results it was found higher total efficiency of adiabatic engines at 2500 rpm from 27% for standard engine to 37% for full adiabatic engine.

  8. EVIDENCE FOR DCO{sup +} AS A PROBE OF IONIZATION IN THE WARM DISK SURFACE

    Energy Technology Data Exchange (ETDEWEB)

    Favre, Cécile; Bergin, Edwin A.; Cleeves, L. Ilsedore [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109 (United States); Hersant, Franck [Univ. Bordeaux, LAB, UMR 5804, F-33270 Floirac (France); Qi, Chunhua [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Aikawa, Yuri, E-mail: cfavre@umich.edu [Department of Earth and Planetary Sciences, Kobe University, Kobe 657-8501 (Japan)

    2015-04-01

    In this Letter, we model the chemistry of DCO{sup +} in protoplanetary disks. We find that the overall distribution of the DCO{sup +} abundance is qualitatively similar to that of CO but is dominated by a thin layer located at the inner disk surface. To understand its distribution, we investigate the different key gas-phase deuteration pathways that can lead to the formation of DCO{sup +}. Our analysis shows that the recent update in the exothermicity of the reaction involving CH{sub 2}D{sup +} as a parent molecule of DCO{sup +} favors deuterium fractionation in warmer conditions. As a result, the formation of DCO{sup +} is enhanced in the inner warm surface layers of the disk where X-ray ionization occurs. Our analysis points out that DCO{sup +} is not a reliable tracer of the CO snow line as previously suggested. We thus predict that DCO{sup +} is a tracer of active deuterium and, in particular, X-ray ionization of the inner disk.

  9. Adsorption studies at ionized surface layers by means of hot atoms

    International Nuclear Information System (INIS)

    Adsorption of ions at the surface of solutions of ionic surface-active substances can directly be studied using hot atoms. Extremely small amounts of suitable radioactive ions, or ions liable to undergo induced nuclear transformations in situ, are added to such solutions, replacing some of the normal counter ions coadsorbed at the primary-adsorbed organic ions. Hot atoms with energies from about 100 keV down to a few electron volts give ranges in water from about 1000 A down to monomoleeular layers. This makes them suitable for sensitive surface layer studies. The hot atoms ejected from the surface are collected and counted. Among α-disintegration recoils, the system Bi212/Tl208 has proved to be suitable. Now, by refining the method, valuable information about adsorption conditions at sodium dodecyl sulphate surface layers could be found. The kinetics of adsorption was studied by following in time the collected recoil activity caused by Bi-ion adsorption. Adsorption isotherms of Bi-ions as a function of the bulk concentration of the surface-active substance under varying conditions of ionic strength, pH and Bi212 activity were measured. By comparing these isotherms with those obtained by measuring the surface tension of the solutions and calculating the surface excess with the aid of a suitably modified Gibbs' isotherm, the adsorption of Bi+++ and Pb++ relative to that of Na+ and H3O+, and by this the extent of ion exchange in the adsorbed layer could be determined. As the method measures the adsorption of charged species, surface reactions transforming primary-adsorbed organic anions to a non-ionic state could be followed. Conclusions could be drawn about the formation of a non-ionized acid soap in the surface and about micelle formation in the bulk under various experimental conditions. (author)

  10. Surface-Assisted Laser Desorption Ionization of Low Molecular Organic Substances on Oxidized Porous Silicon

    Science.gov (United States)

    Shmigol, I. V.; Alekseev, S. A.; Lavrynenko, O. Yu.; Zaitsev, V. N.; Barbier, D.; Pokrovskiy, V. A.

    Desorption/ionization on silicon (DIOS) mass spectra of methylene blue (MB+Cl-) were studied using p+-type oxidized monofunctional porous silicon (PS-OX mono ) free layers. Reduction/protonation processes of methylene blue (MB) dye were investigated. It was shown that SiH x terminal sites on oxidized surface of porous silicon (PS-OX) are not the rate-determining factor for the reduction/protonation in DIOS. Tunneling of electron through the dielectric layer of nanostructures on silicon surface under effect of local electrostatic and electromagnetic fields is considered to be the most significant factor of adsorbate-adsorbent electron exchange and further laser-induced ion formation.

  11. Can clouds enhance long-range transport of low volatile, ionizable and surface-active chemicals?

    DEFF Research Database (Denmark)

    Franco, Antonio; Trapp, Stefan

    2011-01-01

    Atmospheric partitioning and transport of low volatile organic compounds is strongly influenced by the presence of water (e.g. clouds) and its deposition velocity (e.g. rainfall, snow). It was identified that the assumption of continuous rainfall underestimates the residence time and the transport...... potential of non-volatile substances. The liquid water content of clouds and the high specific surface of frozen or liquid cloud droplets can significantly contribute to the total activity capacity (i.e. the capacity to sorb chemicals) of the atmosphere for non-volatile, ionizable and surface active...... substances. A modified version of the regional multimedia activity model for ionics MAMI, including twolayered atmosphere with atmospheric boundary layer (ABL) and lower/middle troposphere (LMT), interface partitioning, intermittent rainfall and variable cloud coverage was applied to a selection of ten low...

  12. Reaction Dynamics Following Ionization of Ammonia Dimer Adsorbed on Ice Surface.

    Science.gov (United States)

    Tachikawa, Hiroto

    2016-09-22

    The ice surface provides an effective two-dimensional reaction field in interstellar space. However, how the ice surface affects the reaction mechanism is still unknown. In the present study, the reaction of an ammonia dimer cation adsorbed both on water ice and cluster surface was theoretically investigated using direct ab initio molecular dynamics (AIMD) combined with our own n-layered integrated molecular orbital and molecular mechanics (ONIOM) method, and the results were compared with reactions in the gas phase and on water clusters. A rapid proton transfer (PT) from NH3(+) to NH3 takes place after the ionization and the formation of intermediate complex NH2(NH4(+)) is found. The reaction rate of PT was significantly affected by the media connecting to the ammonia dimer. The time of PT was calculated to be 50 fs (in the gas phase), 38 fs (on ice), and 28-33 fs (on water clusters). The dissociation of NH2(NH4(+)) occurred on an ice surface. The reason behind the reaction acceleration on an ice surface is discussed. PMID:27588552

  13. Surface corona-bar discharges for production of pre-ionizing UV light for pulsed high-pressure plasmas

    International Nuclear Information System (INIS)

    Multi-atmospheric pressure, pulsed electric discharge excited lasers require pre-ionization to produce spatially uniform glows. Many such systems use corona bars to produce ultraviolet (UV) and vacuum ultraviolet (VUV) light as photo-ionization sources for this purpose. Corona bars are transient surface discharges, typically in a cylindrical geometry, that sustain high electron temperatures and so are efficient UV and VUV sources. In this paper, results from a numerical study of surface corona-bar discharges in a multi-atmosphere pressure Ne/Xe gas mixture are discussed. The discharge consists of a high-voltage electrode placed on the surface of a corona bar which is a dielectric tube surrounding a cylindrical metal electrode. After the initial breakdown an ionization front propagates along the circumference of the corona bar and produces a thin plasma sheet near the dielectric surface. The propagation speed of the ionization front ranges from 2 x 107 to 3.5 x 108 cm s-1, depending on the applied voltage and dielectric constant of the corona-bar insulator. As the discharge propagates around the circumference, the surface of the corona-bar is charged. The combined effects of surface curvature and charge deposition result in a non-monotonic variation of the electric field and electron temperature as the ionization front traverses the circumference. The UV fluxes collected on a surrounding circular surface correlate with the motion of the ionization front but with a time delay due to the relatively long lifetime of the precursor to the emitting species Ne2*.

  14. Efficient small sample analysis via laser post-ionized neutrals desorbed from surfaces: LPI-SNMS

    Science.gov (United States)

    Veryovkin, I.; Calaway, W.; Pellin, M.; Moore, J.; Burnett, D.

    2003-04-01

    A number of popular analytical techniques rely on ion sputtering or laser desorption to probe solid samples. The popularity of this class of techniques is derived from the fact that they produce information on elemental and molecular compositions at trace levels. These techniques are particularly amenable to small sample analysis, since both ion and photon beams can be focused to sub-micron dimensions. Because ion sputtering and laser desorption consume material, there exists a trade off between sample size and achievable detection limit. This trade off is quantified by an instruments useful yield, which is defined as the number of atoms detected per atoms consumed. Laser post-ionization secondary neutral mass spectrometry (LPI-SNMS) has useful yields significantly higher than competing techniques and is thus well suited for trace analysis of small samples. With LPI-SNMS, either a pulse of energetic ions or photons remove material from a solid surface into the gas phase. The desorbed material, predominantly ground state neutral atoms, is photo-ionized by one or more lasers and then extracted into a mass spectrometer for detection. At Argonne National Laboratory, we have developed a new reflectron time-of flight (TOF) mass spectrometer especially designed to optimize useful yield in LPI-SNMS measurements. Using ion optics simulations, an improved extraction design has been developed that allows photo ions from a large (4 × 4 × 3 mm^3) volume above a sample surface to be transmitted through a TOF mass spectrometer with > 98% efficiency. Efficient extraction from such a large ionization volume means that more than 40% of all desorbed species are available for detection, producing an overall useful yield of > 30%. Such a high sensitivity allows analysis of small samples at trace levels never before achievable, opening many new applications. For example, the new LPI-SNMS instrument will allow (1) part-per-trillion detections of solar wind elements implanted in the top

  15. Nonresonance adiabatic photon trap

    CERN Document Server

    Popov, S S; Burdakov, A V; Ushkova, M Yu

    2016-01-01

    Concept of high efficiency photon storage based on adiabatic confinement between concave mirrors is presented and experimentally investigated. The approach is insensitive to typical for Fabri-Perot cells requirements on quality of accumulated radiation, tolerance of resonator elements and their stability. Experiments have been carried out with the trap, which consists from opposed concave cylindrical mirrors and conjugated with them spherical mirrors. In result, high efficiency for accumulation of radiation with large angular spread and spectrum width has been confirmed. As radiation source a commercial fiber laser has been used.

  16. Adiabatic quantum simulators

    Directory of Open Access Journals (Sweden)

    J. D. Biamonte

    2011-06-01

    Full Text Available In his famous 1981 talk, Feynman proposed that unlike classical computers, which would presumably experience an exponential slowdown when simulating quantum phenomena, a universal quantum simulator would not. An ideal quantum simulator would be controllable, and built using existing technology. In some cases, moving away from gate-model-based implementations of quantum computing may offer a more feasible solution for particular experimental implementations. Here we consider an adiabatic quantum simulator which simulates the ground state properties of sparse Hamiltonians consisting of one- and two-local interaction terms, using sparse Hamiltonians with at most three-local interactions. Properties of such Hamiltonians can be well approximated with Hamiltonians containing only two-local terms. The register holding the simulated ground state is brought adiabatically into interaction with a probe qubit, followed by a single diabatic gate operation on the probe which then undergoes free evolution until measured. This allows one to recover e.g. the ground state energy of the Hamiltonian being simulated. Given a ground state, this scheme can be used to verify the QMA-complete problem LOCAL HAMILTONIAN, and is therefore likely more powerful than classical computing.

  17. Protein Analysis by Ambient Ionization Mass Spectrometry Using Trypsin-Immobilized Organosiloxane Polymer Surfaces.

    Science.gov (United States)

    Dulay, Maria T; Eberlin, Livia S; Zare, Richard N

    2015-12-15

    In the growing field of proteomic research, rapid and simple protein analysis is a crucial component of protein identification. We report the use of immobilized trypsin on hybrid organic-inorganic organosiloxane (T-OSX) polymers for the on-surface, in situ digestion of four model proteins: melittin, cytochrome c, myoglobin, and bovine serum albumin. Tryptic digestion products were sampled, detected, and identified using desorption electrospray ionization mass spectrometry (DESI-MS) and nanoDESI-MS. These novel, reusable T-OSX arrays on glass slides allow for protein digestion in methanol:water solvents (1:1, v/v) and analysis directly from the same polymer surface without the need for sample preparation, high temperature, and pH conditions typically required for in-solution trypsin digestions. Digestion reactions were conducted with 2 μL protein sample droplets (0.35 mM) at incubation temperatures of 4, 25, 37, and 65 °C and digestion reaction times between 2 and 24 h. Sequence coverages were dependent on the hydrophobicity of the OSX polymer support and varied by temperature and digestion time. Under the best conditions, the sequence coverages, determined by DESI-MS, were 100% for melittin, 100% for cytochrome c, 90% for myoglobin, and 65% for bovine serum albumin. PMID:26567450

  18. Controlled-Resonant Surface Tapping-Mode Scanning Probe Electrospray Ionization Mass Spectrometry Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Lorenz, Matthias [ORNL; Ovchinnikova, Olga S [ORNL; Kertesz, Vilmos [ORNL; Van Berkel, Gary J [ORNL

    2014-01-01

    This paper reports on the advancement of a controlled-resonance surface tapping-mode single capillary liquid junction extraction/ESI emitter for mass spectrometry imaging. The basic instrumental setup and the general operation of the system were discussed and optimized performance metrics were presented. The ability to spot sample, lane scan and chemically image in an automated and controlled fashion were demonstrated. Rapid, automated spot sampling was demonstrated for a variety of compound types including the cationic dye basic blue 7, the oligosaccharide cellopentaose, and the protein equine heart cytochrome c. The system was used for lane scanning and chemical imaging of the cationic dye crystal violet in inked lines on glass and for lipid distributions in mouse brain thin tissue sections. Imaging of the lipids in mouse brain tissue under optimized conditions provided a spatial resolution of approximately 35 m based on the ability to distinguish between features observed both in the optical and mass spectral chemical images. The sampling spatial resolution of this system was comparable to the best resolution that has been reported for other types of atmospheric pressure liquid extraction-based surface sampling/ionization techniques used for mass spectrometry imaging.

  19. Geometry of the Adiabatic Theorem

    Science.gov (United States)

    Lobo, Augusto Cesar; Ribeiro, Rafael Antunes; Ribeiro, Clyffe de Assis; Dieguez, Pedro Ruas

    2012-01-01

    We present a simple and pedagogical derivation of the quantum adiabatic theorem for two-level systems (a single qubit) based on geometrical structures of quantum mechanics developed by Anandan and Aharonov, among others. We have chosen to use only the minimum geometric structure needed for the understanding of the adiabatic theorem for this case.…

  20. New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X˜ 1A1 and excited C˜ 1B2(21A') states of SO2

    Science.gov (United States)

    Kłos, Jacek; Alexander, Millard H.; Kumar, Praveen; Poirier, Bill; Jiang, Bin; Guo, Hua

    2016-05-01

    We report new and more accurate adiabatic potential energy surfaces (PESs) for the ground X˜ 1A1 and electronically excited C˜ 1B2(21A') states of the SO2 molecule. Ab initio points are calculated using the explicitly correlated internally contracted multi-reference configuration interaction (icMRCI-F12) method. A second less accurate PES for the ground X ˜ state is also calculated using an explicitly correlated single-reference coupled-cluster method with single, double, and non-iterative triple excitations [CCSD(T)-F12]. With these new three-dimensional PESs, we determine energies of the vibrational bound states and compare these values to existing literature data and experiment.

  1. A proposal for a novel H ion source based on electron cyclotron resonance heating and surface ionization

    Energy Technology Data Exchange (ETDEWEB)

    Tarvainen, Ollie A [Los Alamos National Laboratory; Kurennoy, Sergey [Los Alamos National Laboratory

    2008-01-01

    A design for a novel H{sup -} ion source based on electron cyclotron resonance plasma heating and surface ionization is presented. The plasma chamber of the source is an rf-cavity designed for TE{sub 111} eigenmode at 2.45 GHz. The desired mode is excited with a loop antenna. The ionization process takes place on a cesiated surface of a biased converter electrode. The H{sup -} ion beam is further 'self-extracted' through the plasma region. The magnetic field of the source is optimized for plasma generation by electron cyclotron resonance heating, and beam extraction. The design features of the source are discussed in detail and the attainable H{sup -} ion current, beam emittance and duty factor of the novel source are estimated.

  2. A Proposal for a Novel H- Ion Source Based on Electron Cyclotron Resonance Plasma Heating and Surface Ionization

    Science.gov (United States)

    Tarvainen, O.; Kurennoy, S.

    2009-03-01

    A design for a novel H- ion source based on electron cyclotron resonance plasma heating and surface ionization is presented. The plasma chamber of the source is an rf-cavity designed for TE111 eigenmode at 2.45 GHz. The desired mode is excited with a loop antenna. The ionization process takes place on a cesiated surface of a biased converter electrode. The H- ion beam is further "self-extracted" through the plasma region. The magnetic field of the source is optimized for plasma generation by electron cyclotron resonance heating, and beam extraction. The design features of the source are discussed in detail and the attainable H- ion current, beam emittance and duty factor of the novel source are estimated.

  3. Experimental and theoretical studies of laser desorption/ionization of methylene blue from the surface of thermally exfoliated graphite

    International Nuclear Information System (INIS)

    Mass spectra of products obtained in the course of laser desorption/ionization of methylene blue from the surface of thermally exfoliated graphite have been registered. It is demonstrated that [M+1]+, [M+2]+, and [M+3]+ ions with one, two, or three, respectively, hydrogen atoms bound to the molecular ion dominate in the mass spectra. The experimental results are confirmed by quantum chemical calculations of possible reaction products that may be formed under the influence of laser radiation.

  4. Adiabatic theory for anisotropic cold molecule collisions

    International Nuclear Information System (INIS)

    We developed an adiabatic theory for cold anisotropic collisions between slow atoms and cold molecules. It enables us to investigate the importance of the couplings between the projection states of the rotational motion of the atom about the molecular axis of the diatom. We tested our theory using the recent results from the Penning ionization reaction experiment 4He(1s2s 3S) + HD(1s2) → 4He(1s2) + HD+(1s) + e− [Lavert-Ofir et al., Nat. Chem. 6, 332 (2014)] and demonstrated that the couplings have strong effect on positions of shape resonances. The theory we derived provides cross sections which are in a very good agreement with the experimental findings

  5. Adiabatic theory for anisotropic cold molecule collisions.

    Science.gov (United States)

    Pawlak, Mariusz; Shagam, Yuval; Narevicius, Edvardas; Moiseyev, Nimrod

    2015-08-21

    We developed an adiabatic theory for cold anisotropic collisions between slow atoms and cold molecules. It enables us to investigate the importance of the couplings between the projection states of the rotational motion of the atom about the molecular axis of the diatom. We tested our theory using the recent results from the Penning ionization reaction experiment (4)He(1s2s (3)S) + HD(1s(2)) → (4)He(1s(2)) + HD(+)(1s) + e(-) [Lavert-Ofir et al., Nat. Chem. 6, 332 (2014)] and demonstrated that the couplings have strong effect on positions of shape resonances. The theory we derived provides cross sections which are in a very good agreement with the experimental findings. PMID:26298122

  6. Adiabatic theory for anisotropic cold molecule collisions

    Energy Technology Data Exchange (ETDEWEB)

    Pawlak, Mariusz [Schulich Faculty of Chemistry, Technion–Israel Institute of Technology, Haifa 32000 (Israel); Faculty of Chemistry, Nicolaus Copernicus University in Toruń, Gagarina 7, 87-100 Toruń (Poland); Shagam, Yuval; Narevicius, Edvardas [Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100 (Israel); Moiseyev, Nimrod [Schulich Faculty of Chemistry, Technion–Israel Institute of Technology, Haifa 32000 (Israel); Faculty of Physics, Technion–Israel Institute of Technology, Haifa 32000 (Israel)

    2015-08-21

    We developed an adiabatic theory for cold anisotropic collisions between slow atoms and cold molecules. It enables us to investigate the importance of the couplings between the projection states of the rotational motion of the atom about the molecular axis of the diatom. We tested our theory using the recent results from the Penning ionization reaction experiment {sup 4}He(1s2s {sup 3}S) + HD(1s{sup 2}) → {sup 4}He(1s{sup 2}) + HD{sup +}(1s) + e{sup −} [Lavert-Ofir et al., Nat. Chem. 6, 332 (2014)] and demonstrated that the couplings have strong effect on positions of shape resonances. The theory we derived provides cross sections which are in a very good agreement with the experimental findings.

  7. Performance analysis of adiabatic engine

    Energy Technology Data Exchange (ETDEWEB)

    Sudhakar, V.

    1984-01-01

    As the development of the adiabatic diesel engine continues with a goal of 65% reduction in net in-cylinder heat transfer over a cooled engine, several uncooled engines with intermediate levels of reduced heat transfer were studied. Some aspects and results of the adiabatic diesel engine cycle simulation are discussed. Performance test data and simulation results are compared for a conventionally cooled and uncooled Cummins NH-450 turbocompound engines. Exhaust emissions were also measured and compared.

  8. Ionization in antiproton-hydrogen collisions

    International Nuclear Information System (INIS)

    Employing the semiclassical approximation we calculate within the coupled-state formalism the ionization probability in antiproton-hydrogen (anti p+H) collisions. In particular we investigate the adiabatic ionization at the distance of closest approach in almost central collisions. Striking differences in the electron excitation probability compared with proton-hydrogen (p+H) collisions are predicted. (orig.)

  9. Field emission mechanism from nanotubes through gas ionization induced nanoscale surface charging

    CERN Document Server

    Zhan, Changhua

    2012-01-01

    Experimental evidences reported in this letter show that the gas ionization induced positive charge accumulation can lead to the electron field emission from carbon nanotubes (CNTs) in an electrode system with proper range of gap spacing, where the CNT film with ethocel was covered with ZnO nanorods. The hypothesis for illustration is suggested that: 1) the cosmic ray ionization frequency increases 108~1010 times due to the metastable population resulted from the interaction between the gases and the CNTs; 2) the flux of positive charges is enhanced in the converged field due to the ZnO nanostructures. The resulted positive charge local density is high enough to trigger the field emission of the CNTs. The methodology may be useful in particle detectors and ionization gas sensors.

  10. Surface characterization with ion-induced desorption and multiphoton resonance ionization

    International Nuclear Information System (INIS)

    It is known that high-molecular-weight, thermally labile molecules can be desorbed intact using keV ion beams. This knowledge has led to numerous applications of fast atom bombardment and secondary ion mass spectrometry (SIMS) by mass spectrometric detection of the desorbed ions. These measurements can be enhanced significantly by using resonance-enhanced laser ionization to softly ionize the neutral component of the desorbed flux. This experimental configuration can produce sensitivity improvements of several orders of magnitude over SIMS while adding a certain degree of selectivity to the ionization process itself. Examples of this performance will be presented using a wide variety of molecules, including polycyclic aromatic hydrocarbons, organic polymers, molecular salts and biologically important molecules. Results from model systems to complex samples are discussed, along with their implications for submicron molecular imaging using this technique. (author)

  11. Examination and Manipulation of Protein Surface Charge in Solution with Electrospray Ionization Mass Spectrometry

    Science.gov (United States)

    Gross, Deborah S.; Van Ryswyk, Hal

    2014-01-01

    Electrospray ionization mass spectrometry (ESI-MS) is a powerful tool for examining the charge of proteins in solution. The charge can be manipulated through choice of solvent and pH. Furthermore, solution-accessible, protonated lysine side chains can be specifically tagged with 18-crown-6 ether to form noncovalent adducts. Chemical derivatization…

  12. A Combined Laser Ablation-Resonance Ionization Mass Spectrometer for Planetary Surface Geochronology

    Science.gov (United States)

    Cardell, G.; Taylor, M. E.; Stewart, B. W.; Capo, R. C.; Crown, D. A.

    2002-01-01

    Progress in the development of an instrument for direct geochronologic measurements on rocks in situ will be described. The instrument integrates laser ablation sampling, resonance ionization, and mass spectrometry to directly measure concentrations of the Rb-Sr isotope system. Additional information is contained in the original extended abstract.

  13. A Photo-ionization VOCs Sensor Developed the Resistance to Contamination of Electrode Surface

    Science.gov (United States)

    Hirano, Yasuyuki; Kazawa, Elito; Haramoto, Yoshiaki; Yoshida, Hiromichi

    A photo-ionization detector operated on alternating current using a lock-in amplifier was studied. Output current of covered electrodes with insulator was proportional to concentration of volatile organic compounds. And contamination made little effect on the current value.

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

    Energy Technology Data Exchange (ETDEWEB)

    Zamstein, Noa; Tannor, David J. [Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100 (Israel)

    2012-12-14

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

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

    International Nuclear Information System (INIS)

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

  16. Parametric Erosion Investigation: Propellant Adiabatic Flame Temperature

    Directory of Open Access Journals (Sweden)

    P. J. Conroy

    2002-01-01

    Full Text Available The influence of quasi-independent parameters and their potential influence on erosion in guns have been investigated. Specifically, the effects of flame temperature and the effect of assuming that the Lewis number (ratio of mass-to-heat transport to the surface, Le = 1, has been examined. The adiabatic flame temperature for a propellant was reduced by the addition of a diluent from a high temperature of 3843 K (similar to that of M9 down to 3004 K, which is near the value for M30A1 propellant. Mass fractions of critical species at the surface with and without the assumption of Le = 1 are presented, demonstrating that certain species preferentially reach the surface providing varied conditions for the surface reactions. The results for gun tube bore surface regression qualitatively agree with previous studies and with current experimental data.

  17. A chemical ionization mass spectrometer for continuous underway shipboard analysis of dimethylsulfide in near-surface seawater

    Directory of Open Access Journals (Sweden)

    E. S. Saltzman

    2009-07-01

    Full Text Available A compact, low-cost atmospheric pressure, chemical ionization mass spectrometer ("mini-CIMS" has been developed for continuous underway shipboard measurements of dimethylsulfide (DMS in seawater. The instrument was used to analyze DMS in air equilibrated with flowing seawater across a porous Teflon membrane equilibrator. The equilibrated gas stream was diluted with air containing an isotopically-labeled internal standard. DMS is ionized at atmospheric pressure via proton transfer from water vapor, then declustered, mass filtered via quadrupole mass spectrometry, and detected with an electron multiplier. The instrument described here is based on a low-cost residual gas analyzer (Stanford Research Systems, which has been modified for use as a chemical ionization mass spectrometer. The mini-CIMS has a gas phase detection limit of 170 ppt DMS for a 1 min averaging time, which is roughly equivalent to a seawater DMS concentration of 0.1 nM DMS at 20°C. The mini-CIMS has the sensitivity, selectivity, and time response required for underway measurements of surface ocean DMS over the full range of oceanographic conditions. The simple, robust design and relatively low cost of the instrument are intended to facilitate use in process studies and surveys, with potential for long-term deployment on research vessels, ships of opportunity, and large buoys.

  18. Adiabatic fission barriers in superheavy nuclei

    OpenAIRE

    Jachimowicz, P.; Kowal, M; Skalski, J.

    2016-01-01

    Using the microscopic-macroscopic model based on the deformed Woods-Saxon single-particle potential and the Yukawa-plus-exponential macroscopic energy we calculated static fission barriers $B_{f}$ for 1305 heavy and superheavy nuclei $98\\leq Z \\leq 126$, including even - even, odd - even, even - odd and odd - odd systems. For odd and odd-odd nuclei, adiabatic potential energy surfaces were calculated by a minimization over configurations with one blocked neutron or/and proton on a level from ...

  19. Adiabatic theory for the bipolaron

    Energy Technology Data Exchange (ETDEWEB)

    Lakhno, V.D. (Institute of Mathematical Problems of Biology, Russian Academy of Sciences, Pushchino Moscow Region, 142292 (Russian Federation))

    1995-02-01

    A translation-invariant adiabatic theory is constructed for the bipolaron. It is shown that motions in the bipolaron are divided: the relative electron coordinates describe fast electron oscillations in the induced polarization well and the center of mass coordinates represent slow electron movement followed by polarization. Nonlinear differential bipolaron equations are derived which are asymptotically exact in the adiabatic limit. Particlelike solutions of these equations correspond to the bipolaron bound state. The exact solution yields the value of the ion critical parameter [eta]=0.31 for which the bipolaron state is stable, where [eta]=[epsilon][sub [infinity

  20. Optimizing adiabaticity in quantum mechanics

    CERN Document Server

    MacKenzie, R; Renaud-Desjardins, L

    2011-01-01

    A condition on the Hamiltonian of a time-dependent quantum mechanical system is derived which, if satisfied, implies optimal adiabaticity (defined below). The condition is expressed in terms of the Hamiltonian and in terms of the evolution operator related to it. Since the latter depends in a complicated way on the Hamiltonian, it is not yet clear how the condition can be used to extract useful information about the optimal Hamiltonian. The condition is tested on an exactly-soluble time-dependent problem (a spin in a magnetic field), where perfectly adiabatic evolution can be easily identified.

  1. Formation of metal-ion adducts and evidence for surface-catalyzed ionization in electrospray analysis of pharmaceuticals and pesticides

    Science.gov (United States)

    Thurman, E.M.; Ferrer, I.

    2002-01-01

    The formation of metal ion adducts in liquid chromatography/mass spectrometry positive-ion electrospray analysis of pharmaceuticals and pesticides was investigated. The evidence of surface-catalyzed ionization in the electrospray analysis was also studied. Both positive and negative ion mass spectrometry were used for the analysis of the products. It was found that the sodium adducts formed in the analysis included single, double, and triple sodium adducts. Adduction was found to occur by attachment of the metal ion to carboxyl, carbonyl and aromatic pi electrons of the molecule.

  2. A simple and sensitive quantitation of N,N-dimethyltryptamine by gas chromatography with surface ionization detection.

    Science.gov (United States)

    Ishii, A; Seno, H; Suzuki, O; Hattori, H; Kumazawa, T

    1997-01-01

    A simple and sensitive method for determination of N,N-dimethyltryptamine (DMT) by gas chromatography (GC) with surface ionization detection (SID) is presented. Whole blood or urine, containing DMT and gramine (internal standard), was subjected to solid-phase extraction with a Sep-Pak C18 cartridge before analysis by GC-SID. The calibration curve was linear in the DMT range of 1.25-20 ng/mL blood or urine. The detection limit of DMT was about 0.5 ng/mL (10 pg on-column). The recovery of both DMT and gramine spiked in biological fluids was above 86%. PMID:9013290

  3. Bond selective chemistry beyond the adiabatic approximation

    Energy Technology Data Exchange (ETDEWEB)

    Butler, L.J. [Univ. of Chicago, IL (United States)

    1993-12-01

    One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

  4. Adiabatic Floquet model for the optical response in femtosecond filaments

    CERN Document Server

    Hofmann, Michael

    2016-01-01

    The standard model of femtosecond filamentation is based on phenomenological assumptions which suggest that the ionization-induced carriers can be treated as free according to the Drude model, while the nonlinear response of the bound carriers follows the all-optical Kerr effect. Here, we demonstrate that the additional plasma generated at a multiphoton resonance dominates the saturation of the nonlinear refractive index. Since resonances are not captured by the standard model, we propose a modification of the latter in which ionization enhancements can be accounted for by an ionization rate obtained from non-Hermitian Floquet theory. In the adiabatic regime of long pulse envelopes, this augmented standard model is in excellent agreement with direct quantum mechanical simulations. Since our proposal maintains the structure of the standard model, it can be easily incorporated into existing codes of filament simulation.

  5. Functional representation for the born-oppenheimer diagonal correction and born-huang adiabatic potential energy surfaces for isotopomers of H3.

    Science.gov (United States)

    Mielke, Steven L; Schwenke, David W; Schatz, George C; Garrett, Bruce C; Peterson, Kirk A

    2009-04-23

    Multireference configuration interaction (MRCI) calculations of the Born-Oppenheimer diagonal correction (BODC) for H(3) were performed at 1397 symmetry-unique configurations using the Handy-Yamaguchi-Schaefer approach; isotopic substitution leads to 4041 symmetry-unique configurations for the DH(2) mass combination. These results were then fit to a functional form that permits calculation of the BODC for any combination of isotopes. Mean unsigned fitting errors on a test grid of configurations not included in the fitting process were 0.14, 0.12, and 0.65 cm(-1) for the H(3), DH(2), and MuH(2) isotopomers, respectively. This representation can be combined with any Born-Oppenheimer potential energy surface (PES) to yield Born-Huang (BH) PESs; herein, we choose the CCI potential energy surface, the uncertainties of which ( approximately 0.01 kcal/mol) are much smaller than the magnitude of the BODC. Fortran routines to evaluate these BH surfaces are provided. Variational transition state theory calculations are presented comparing thermal rate constants for reactions on the BO and BH surfaces to provide an initial estimate of the significance of the diagonal correction for the dynamics. PMID:19290604

  6. Functional Representation for the Born-Oppenheimer Diagonal Correction and Born-Huang Adiabatic Potential Energy Surfaces for Isotopomers of H3

    Energy Technology Data Exchange (ETDEWEB)

    Mielke, Steven L; Schwenke, David; Schatz, George C; Garrett, Bruce C; Peterson, Kirk A

    2009-04-23

    Multireference configuration interaction (MRCI) calculations of the Born-Oppenheimer diagonal correction (BODC) for H3 were performed at 1397 symmetry-unique configurations using the Born-Handy approach; isotopic substitution leads to 4041 symmetry-unique configurations for the DH2 mass combination. These results were then fit to a functional form that permits calculation of the BODC for any combination of isotopes. Mean unsigned fitting errors on a test grid of configurations not included in the fitting process were 0.14, 0.12, and 0.65 cm-1 for the H3, DH2, and MuH2 isotopomers, respectively. This representation can be combined with any Born-Oppenheimer potential energy surface (PES) to yield Born-Huang (BH) PESs; herein we choose the CCI potential energy surface, the uncertainties of which (~0.01 kcal/mol) are much smaller than the magnitude of the BODC. FORTRAN routines to evaluate these BH surfaces are provided. Variational transition state theory calculations are presented comparing thermal rate constants for reactions on the BO and BH surfaces to provide an initial estimate of the significance of the diagonal correction for the dynamics.

  7. Elementary examples of adiabatic invariance

    Energy Technology Data Exchange (ETDEWEB)

    Crawford, F.S. (Physics Department, University of California, Berkeley, CA (USA) Lawrence Berkeley Laboratory, University of California, Berkeley, CA 94720 (USA))

    1990-04-01

    Simple classical one-dimensional systems subject to adiabatic (gradual) perturbations are examined. The first examples are well known: the adiabatic invariance of the product {ital E}{tau} of energy {ital E} and period {tau} for the simple pendulum and for the simple harmonic oscillator. Next, the adiabatic invariants of the vertical bouncer are found---a ball bouncing elastically from the floor of a rising elevator having slowly varying velocity and acceleration. These examples lead to consideration of adiabatic invariance for one-dimensional systems with potentials of the form {ital V}={ital ax}{sup {ital n}}, with {ital a}={ital a}({ital t}) slowly varying in time. Then, the horizontal bouncer is considered---a mass sliding on a smooth floor, bouncing back and forth between two impenetrable walls, one of which is slowly moving. This example is generalized to a particle in a bound state of a general potential with one slowly moving turning point.'' Finally, circular motion of a charged particle in a magnetic field slowly varying in time under three different configurations is considered: (a) a free particle in a uniform field; (b) a free particle in a nonuniform betatron'' field; and (c) a particle constrained to a circular orbit in a uniform field.

  8. Effect of surface roughness on the measurement of electron impact inner-shell ionization cross sections using thick-target method

    International Nuclear Information System (INIS)

    The effect of surface roughness on the measurement of electron impact inner-shell ionization cross sections in the thick-target method has been studied by using Monte Carlo simulations. The surface roughness structures were described by a series of hemispheres, which were produced randomly on the smooth surface of a thick Ni target. The characteristic X-ray yields of K-shell ionization for Ni element by electron impact near threshold energy were obtained by Monte Carlo simulations for the target with smooth surface and the targets with various surface roughnesses. The Tikhonov regularization method was applied to treat the inverse problem involved and obtain the K-shell ionization cross sections for Ni element. The comparisons between K-shell ionization cross sections of Ni element obtained for the target with smooth surface and the targets with various surface roughnesses were made. The results show that the effect of surface roughness increases as the roughness increases and the surface roughness of the target should be limited to less than 100 nm if the experimental error originated from the surface roughness would be kept less than 2%.

  9. 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.

  10. A clear atomic example for the surface sensitivity of penning ionization

    OpenAIRE

    Hotop, Hartmut; Ruf, Martin W.; Yencha, A.J.; Fricke, Burkhard

    1990-01-01

    Using a crossed-beam apparatus with a double hemispherical electron spectrometer, we have studied the spectrum of electrons released in thermal energy ionizing collisions of metastable He^*(2^3S) atoms with ground state Yb(4f^14 6s^2 ^1S_0) atoms, thereby providing the first Penning electron spectrum of an atomic target with-4f-electrons. In contrast to the HeI (58.4nm) and NeI (73.6/74.4nm) photoelectron spectra of Yb, which show mainly 4f- and 6s-electron emission in about a 5:1 ra...

  11. Accurate ab initio-based adiabatic global potential energy surface for the 22A″ state of NH2 by extrapolation to the complete basis set limit

    Science.gov (United States)

    Li, Y. Q.; Ma, F. C.; Sun, M. T.

    2013-10-01

    A full three-dimensional global potential energy surface is reported first time for the title system, which is important for the photodissociation processes. It is obtained using double many-body expansion theory and an extensive set of accurate ab initio energies extrapolated to the complete basis set limit. Such a work can be recommended for dynamics studies of the N(2D) + H2 reaction, a reliable theoretical treatment of the photodissociation dynamics and as building blocks for constructing the double many-body expansion potential energy surface of larger nitrogen/hydrogen containing systems. In turn, a preliminary theoretical study of the reaction N(^2D)+H_2(X^1Σ _g^+)(ν =0,j=0)rArr NH(a^1Δ )+H(^2S) has been carried out with the method of quasi-classical trajectory on the new potential energy surface. Integral cross sections and thermal rate constants have been calculated, providing perhaps the most reliable estimate of the integral cross sections and the rate constants known thus far for such a reaction.

  12. Pulsed Chemical Oxygen Iodine Lasers Excited by Pulse Gas Discharge with the Assistance of Surface Sliding Discharge Pre-ionization

    International Nuclear Information System (INIS)

    Continuous-wave chemical oxygen-iodine lasers (COILs) can be operated in a pulsed operation mode to obtain a higher peak power. The key point is to obtain a uniform and stable glow discharge in the mixture of singlet delta oxygen and iodide. We propose using an electrode system with the assistance of surface sliding pre-ionization to solve the problem of the stable glow discharge with a large aperture. The pre-ionization unit is symmetrically fixed on the plane of the cathode surface. A uniform and stable glow discharge is obtained in a mixture of iodide (such as CH3I) and nitrogen at the specific deposition energy of 4.5 J/L, pressure of 1.99–3.32 kPa, aperture size of 11 cm × 10 cm. The electrode system is applied in a pulsed COIL. Laser energy up to 4.4 J is obtained and the specific energy output is 2 J/L. (fundamental areas of phenomenology(including applications))

  13. Digital Waveguide Adiabatic Passage Part 1: Theory

    CERN Document Server

    Vaitkus, Jesse A; Greentree, Andrew D

    2016-01-01

    Spatial adiabatic passage represents a new way to design integrated photonic devices. In conventional adiabatic passage designs require smoothly varying waveguide separations. Here we show modelling of adiabatic passage devices where the waveguide separation is varied digitally. Despite digitisation, our designs show robustness against variations in the input wavelength and refractive index contrast of the waveguides relative to the cladding. This approach to spatial adiabatic passage opens new design strategies and hence the potential for new photonics devices.

  14. Radioactive beams produced by the ISOL method: development for laser ionization and for surface ionization; Faisceaux exotiques par methode ISOL: developpements pour l'ionisation par laser et l'ionisation de surface

    Energy Technology Data Exchange (ETDEWEB)

    Hosni, Faouzi

    2004-10-01

    The works were carried out in the framework of the research program PARRNe (production of radioactive neutron-rich nuclei). This program aims to determine optimal conditions to produce intense beams of neutron-rich isotopes. This thesis treats multiple technical aspects related to the production of separate radioactive isotopes in line (ISOL). It deals mainly with the development of the target-source unit which is the key element for projects such as SPIRAL-2 or EURISOL.The first part presents the various methods using fission as production mode and compares them: fission induced by thermal neutrons, induced by fast neutrons and photofission. The experiment carried out at CERN validated the interest of the photofission as a promising production mode of radioactive ions. That is why the institute of nuclear physics of Orsay decided to build a linear electron accelerator at the Tandem d'Orsay (ALTO).The second part of this thesis deals with the development of uranium targets. The X-rays diffraction and Scanning Electron Microscopy have been used as analysis techniques. They allowed to determine the chemical and structural characteristics of uranium carbide targets as function of various heating temperatures. After the production, the process of ionization has been studied. Two types of ion source have been worked out: the first one is a surface ion source and the second one is a source based on resonant ionization by laser. These two types of sources will be used for the ALTO project. (author)

  15. Adiabatic and diabatic aerosol transport to the Jungfraujoch

    Energy Technology Data Exchange (ETDEWEB)

    Lugauer, M.; Baltensperger, U.; Furger, M.; Jost, D.T.; Schwikowski, M.; Gaeggeler, H.W. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-09-01

    Synoptic scale vertical motion, here detected by the geopotential height of the 500 hPa surface, mainly accounts for the aerosol transport to the Jungfraujoch in winter. In summer, diabatic convection provides the dominant vertical transport mechanism. Nevertheless, synoptic scale adiabatic motion still determines whether diabatic convection can develop. (author) 2 figs., 2 refs.

  16. Energy distributions of neutral species ejected from well-characterized surfaces measured by means of multiphoton resonance ionization spectroscopy

    International Nuclear Information System (INIS)

    The energy distributions of neutral atoms ejected from the polycrystalline Cu target, the Si(1 1 1)-7x7 surface, and the Si(1 1 1)-''5 x 5''-Cu surface by 5 keV Ar+ ion bombardment have been measured with very high efficiency by means of the multi-photon resonance ionization spectroscopy, in order to obtain the surface binding energies. The energy distributions for Cu from polycrystalline Cu target, Si from the Si(1 1 1)-7x7 surface, and Cu from the Si(1 1 1)-''5 x 5''-Cu surface have been found to have a peak at energies of around 3.0, 5.0 and 1.5 eV, and the function shapes of high energy tails to be proportional to E-1.9, E-1.2 and E-1.3, respectively. Based on the linear collision cascade theory, the surface binding energies are determined to be 5.7, 6.0 and 2.0 eV, and the power factor m in the power law approximation to the Thomas-Fermi potential are determined to be 0.1, 0.4 and 0.3 for Cu from the Cu polycrystalline, Si from the Si(1 1 1)-7x7 surface, and Cu from the Si(1 1 1)-''5 x 5''-Cu surface, respectively. In conclusion, the results indicate that the energy distributions of ejected particles are well characterized by the linear collision cascade theory developed by Sigmund

  17. Optimization of Electrospray Ionization by Statistical Design of Experiments and Response Surface Methodology: Protein-Ligand Equilibrium Dissociation Constant Determinations

    Science.gov (United States)

    Pedro, Liliana; Van Voorhis, Wesley C.; Quinn, Ronald J.

    2016-05-01

    Electrospray ionization mass spectrometry (ESI-MS) binding studies between proteins and ligands under native conditions require that instrumental ESI source conditions are optimized if relative solution-phase equilibrium concentrations between the protein-ligand complex and free protein are to be retained. Instrumental ESI source conditions that simultaneously maximize the relative ionization efficiency of the protein-ligand complex over free protein and minimize the protein-ligand complex dissociation during the ESI process and the transfer from atmospheric pressure to vacuum are generally specific for each protein-ligand system and should be established when an accurate equilibrium dissociation constant (KD) is to be determined via titration. In this paper, a straightforward and systematic approach for ESI source optimization is presented. The method uses statistical design of experiments (DOE) in conjunction with response surface methodology (RSM) and is demonstrated for the complexes between Plasmodium vivax guanylate kinase (PvGK) and two ligands: 5'-guanosine monophosphate (GMP) and 5'-guanosine diphosphate (GDP). It was verified that even though the ligands are structurally similar, the most appropriate ESI conditions for KD determination by titration are different for each.

  18. Optimization of Electrospray Ionization by Statistical Design of Experiments and Response Surface Methodology: Protein-Ligand Equilibrium Dissociation Constant Determinations

    Science.gov (United States)

    Pedro, Liliana; Van Voorhis, Wesley C.; Quinn, Ronald J.

    2016-09-01

    Electrospray ionization mass spectrometry (ESI-MS) binding studies between proteins and ligands under native conditions require that instrumental ESI source conditions are optimized if relative solution-phase equilibrium concentrations between the protein-ligand complex and free protein are to be retained. Instrumental ESI source conditions that simultaneously maximize the relative ionization efficiency of the protein-ligand complex over free protein and minimize the protein-ligand complex dissociation during the ESI process and the transfer from atmospheric pressure to vacuum are generally specific for each protein-ligand system and should be established when an accurate equilibrium dissociation constant (KD) is to be determined via titration. In this paper, a straightforward and systematic approach for ESI source optimization is presented. The method uses statistical design of experiments (DOE) in conjunction with response surface methodology (RSM) and is demonstrated for the complexes between Plasmodium vivax guanylate kinase ( PvGK) and two ligands: 5'-guanosine monophosphate (GMP) and 5'-guanosine diphosphate (GDP). It was verified that even though the ligands are structurally similar, the most appropriate ESI conditions for KD determination by titration are different for each.

  19. Surface layer evolution caused by the bombardment with ionized metal vapor

    Energy Technology Data Exchange (ETDEWEB)

    Döbeli, M., E-mail: doebeli@phys.ethz.ch [Ion Beam Physics, ETH Zurich, Schafmattstrasse 20, CH-8093 Zurich (Switzerland); Dommann, A.; Maeder, X.; Neels, A. [Centre Suisse d’Electronique et de Microtechnique CSEM SA, Rue Jaquet-Droz 1, CH-2002 Neuchâtel (Switzerland); Passerone, D. [Empa, Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, CH-8600 Dübendorf (Switzerland); Rudigier, H. [OC Oerlikon Balzers AG, Iramali 18, LI-9496 Balzers (Liechtenstein); Scopece, D. [Empa, Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, CH-8600 Dübendorf (Switzerland); Widrig, B.; Ramm, J. [OC Oerlikon Balzers AG, Iramali 18, LI-9496 Balzers (Liechtenstein)

    2014-08-01

    The evolution of the composition of tungsten carbide and silicon surfaces initiated by the bombardment with Zr and Cr ions has been investigated as a function of the substrate bias voltage. Surface composition profiles were measured by Rutherford backscattering and have been compared with the results obtained by the TRIDYN simulation program. It is found that the general dependence of film thickness on substrate bias is satisfactorily reproduced by this model. Deviations between experiment and simulation are attributed to possible partial oxidation of the surface or uncertainties in the charge state distribution of metal ions. The results confirm that TRIDYN facilitates the predictability of the nucleation of metallic vapor at substrate surfaces.

  20. Dissipative particle dynamics simulations of weak polyelectrolyte adsorption on charged and neutral surfaces as a function of the degree of ionization

    CERN Document Server

    Alarcón, F; Goicochea, A Gama

    2012-01-01

    The influence of the chain degree of ionization on the adsorption of weak polyelectrolytes on neutral and on oppositely and likely charged surfaces is investigated for the first time, by means of Monte Carlo simulations with the mesoscopic interaction model known as dissipative particle dynamics. The electrostatic interactions are calculated using the three-dimensional Ewald sum method, with an appropriate modification for confined systems. Effective wall forces confine the linear polyelectrolytes, and electric charges on the surfaces are included. The solvent is included explicitly also and it is modeled as an athermal solvent for the polyelectrolytes. The number of solvent particles is allowed to fluctuate. The results show that the polyelectrolytes adsorb both onto neutral and charged surfaces, with the adsorption regulated by the chain degree of ionization, being larger at lower ionization degrees, where polyelectrolytes are less charged. Furthermore, polyelectrolyte adsorption is strongly modulated by th...

  1. Invalidity of the quantitative adiabatic condition and general conditions for adiabatic approximations

    Science.gov (United States)

    Li, Dafa

    2016-05-01

    The adiabatic theorem was proposed about 90 years ago and has played an important role in quantum physics. The quantitative adiabatic condition constructed from eigenstates and eigenvalues of a Hamiltonian is a traditional tool to estimate adiabaticity and has proven to be the necessary and sufficient condition for adiabaticity. However, recently the condition has become a controversial subject. In this paper, we list some expressions to estimate the validity of the adiabatic approximation. We show that the quantitative adiabatic condition is invalid for the adiabatic approximation via the Euclidean distance between the adiabatic state and the evolution state. Furthermore, we deduce general necessary and sufficient conditions for the validity of the adiabatic approximation by different definitions.

  2. Non-sequential double ionization of molecules

    CERN Document Server

    Prauzner-Bechcicki, J S; Eckhardt, B; Zakrzewski, J; Prauzner-Bechcicki, Jakub S.; Sacha, Krzysztof; Eckhardt, Bruno; Zakrzewski, Jakub

    2004-01-01

    Double ionization of diatomic molecules by short linearly polarized laser pulses is analyzed. We consider the final stage of the ionization process, that is the decay of a highly excited two electron molecule, which is formed after re-scattering. The saddles of the effective adiabatic potential energy close to which simultaneous escape of electrons takes place are identified. Numerical simulations of the ionization of molecules show that the process can be dominated by either sequential or non-sequential events. In order to increase the ratio of non-sequential to sequential ionizations very short laser pulses should be applied.

  3. Self-Aspirated Atmospheric Pressure Chemical Ionization Source for Direct Sampling of Analytes on Surfaces and in Liquid Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Asano, Keiji G [ORNL; Ford, Michael J [ORNL; Tomkins, Bruce A [ORNL; Van Berkel, Gary J [ORNL

    2005-01-01

    A self-aspirating heated nebulizer probe is described and demonstrated for use in the direct analysis of analytes on surfaces and in liquid samples by atmospheric pressure chemical ionization (APCI) mass spectrometry. Functionality and performance of the probe as a self-aspirating APCI source is demonstrated using reserpine and progesterone as test compounds. The utility of the probe to sample analytes directly from surfaces was demonstrated first by scanning development lanes of a reversed-phase thin-layer chromatography plate in which a three-component dye mixture, viz., Fat Red 7B, Solvent Green 3, and Solvent Blue 35, was spotted and the components were separated. Development lanes were scanned by the sampling probe operated under computer control (x, y plane) while full-scan mass spectra were recorded using a quadrupole ion trap mass spectrometer. In addition, the ability to sample the surface of pharmaceutical tablets (viz., Extra Strength Tylenol(reg. sign) and Evista(reg. sign) tablets) and to detect the active ingredients (acetaminophen and raloxifene, respectively) selectively was demonstrated using tandem mass spectrometry (MS/MS). Finally, the capability to sample analyte solutions from the wells of a 384-well microtiter plate and to perform quantitative analyses using MS/MS detection was illustrated with cotinine standards spiked with cotinine-d{sub 3} as an internal standard.

  4. Self-aspirating atmospheric pressure chemical ionization source for direct sampling of analytes on surfaces and in liquid solutions.

    Science.gov (United States)

    Asano, Keiji G; Ford, Michael J; Tomkins, Bruce A; Van Berkel, Gary J

    2005-01-01

    A self-aspirating heated nebulizer probe is described and demonstrated for use in the direct analysis of analytes on surfaces and in liquid samples by atmospheric pressure chemical ionization (APCI) mass spectrometry. Functionality and performance of the probe as a self-aspirating APCI source is demonstrated using reserpine and progesterone as test compounds. The utility of the probe to sample analytes directly from surfaces was demonstrated first by scanning development lanes of a reversed-phase thin-layer chromatography plate in which a three-component dye mixture, viz., Fat Red 7B, Solvent Green 3, and Solvent Blue 35, was spotted and the components were separated. Development lanes were scanned by the sampling probe operated under computer control (x, y plane) while full-scan mass spectra were recorded using a quadrupole ion trap mass spectrometer. In addition, the ability to sample the surface of pharmaceutical tablets (viz., Extra Strength Tylenol and Evista tablets) and to detect the active ingredients (acetaminophen and raloxifene, respectively) selectively was demonstrated using tandem mass spectrometry (MS/MS). Finally, the capability to sample analyte solutions from the wells of a 384-well microtiter plate and to perform quantitative analyses using MS/MS detection was illustrated with cotinine standards spiked with cotinine-d3 as an internal standard.

  5. Development of a He/CdI$_2$ gas-jet system coupled to a surface-ionization type ion-source in JAEA-ISOL: towards determination of the first ionization potential of Lr (Z = 103)

    CERN Document Server

    Sato, T K; Sato, N; Tsukada, K; Toyoshima, A; Ooe, K; Miyashita, S; Kaneya, Y; Osa, A; Schädel, M; Nagame, Y; Ichikawa, S; Stora, T; Kratz, J V

    2015-01-01

    We report on development of a gas-jet transport system coupled to a surface ionization ion-source in the JAEA-ISOL (Isotope Separator On-Line) system. As a new aerosol material for the gas-jet system, CdI2, which has a low boiling point of 713 °C, is exploited to prevent deposition of the aerosol material on the surface of the ion-source. An additional filament is newly installed in the previous ion-source to provide uniform heating of an ionizer. The present system is applied to the measurement of absolute efficiencies of various short-lived lanthanide isotopes produced in nuclear reactions.

  6. Study of atmospheric pressure weakly ionized plasma as surface compatibilization technique for improved plastic composites loaded with cellulose based fillers

    Science.gov (United States)

    Lekobou, William Pimakouon

    Atmospheric pressure plasmas have gained considerable interest from researchers recently for their unique prospective of engineering surfaces with plasma without the need of vacuum systems. They offer the advantage of low energy consumption, minimal capital cost and their simplicity as compared to conventional low pressure plasmas make them easy to upscale from laboratory to industry size. The present dissertation summarizes results of our attempt at applying atmospheric pressure weakly ionized plasma (APWIP) to the engineering of plastic composites filled with cellulose based substrates. An APWIP reactor was designed and built based on a multipoint-to-grounded ring and screen configurations. The carrier gas was argon and acetylene serves as the precursor molecule. The APWIP reactors showed capability of depositing plasma polymerized coating rich in carbon on substrates positioned within the electrode gap as well as downstream of the plasma discharge into the afterglow region. Our findings show that films grow by forming islands which for prolonged deposition time grow into thin films showing nodules, aggregates of nodules and microspheres. They also show chemical structure similar to films deposited from hydrocarbons with other conventional plasma techniques. The plasma polymerized deposits were used on substrates to modify their surface properties. Results show the surface of wood veneer and wood flour can be finely tuned from hydrophilic to hydrophobic. It was achieved by altering the topography of the surfaces along with their chemical composition. The wettability of wood veneer was investigated with contact angle measurements on capacitive drops and the capillary effect was utilized to assess surface properties of wood flour exposed to the discharges.

  7. Technology to produce silicon-made surface detectors to detect ionizing particles

    International Nuclear Information System (INIS)

    The purpose of this article is to show a technology to produce silicon-made surface barrier detectors to detect short-run charger particles developed in the Electronic Department of the Center of Studies Applied to Nuclear Development in collaboration of the High Polytechnic Institute 'Jose Antonio Echevarria'. These detectors were produced with the same silicon material which is used in the semiconductor device factory of Pinar del Rio 'Ernesto Che Guevara'

  8. Surface Ionization State and Nanoscale Chemical Composition of UV-Irradiated Poly(dimethylsiloxane) Probed by Chemical Force Microscopy, Force Titration, and Electrokinetic Measurements

    NARCIS (Netherlands)

    Song, Jing; Duval, Jerome F.L.; Cohen Stuart, Martien A.; Hillborg, Henrik; Gunst, Ullrich; Arlinghaus, Heinrich F.; Vancso, G. Julius

    2007-01-01

    The surface chemistry and ionization state of cross-linked poly(dimethylsiloxane) (PDMS) exposed to UV/ozone were studied as a function of treatment time. Various complementary and independent experimental techniques were utilized, which yielded information on the macroscopic as well as the nanometr

  9. Surface ionization state and nanoscale chemical composition of UV-irradiated poly(dimethylsiloxane) probed by chemical force microscopy, force titration, and electrokinetic measurements

    NARCIS (Netherlands)

    Song, J.; Duval, J.F.L.; Cohen Stuart, M.A.; Hillborg, H.; Gunst, U.; Arlinghaus, H.F.; Vancso, G.J.

    2007-01-01

    The surface chemistry and ionization state of cross-linked poly(dimethylsiloxane) (PDMS) exposed to UV/ozone were studied as a function of treatment time. Various complementary and independent experimental techniques were utilized, which yielded information on the macroscopic as well as the nanometr

  10. Determining estrogens using surface-assisted laser desorption/ionization mass spectrometry with silver nanoparticles as the matrix.

    Science.gov (United States)

    Chiu, Tai-Chia; Chang, Lin-Chau; Chiang, Cheng-Kang; Chang, Huan-Tsung

    2008-09-01

    We describe the application of silver nanoparticles (Ag NPs) as matrices for the determination of three estrogens using surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS). Because Ag NPs have extremely high absorption coefficients (1.2 x 10(8) M(-1) cm(-1)) at 337 nm, they are effective SALDI matrices when using a nitrogen laser. Three tested estrogens--estrone (E1), estradiol (E2), and estriol (E3)--adsorb weakly onto the surfaces of the Ag NPs, through van der Waals forces. After centrifugation, the concentrated analytes adsorbed on the Ag NPs were subjected directly to SALDI-MS analyses, with the limits of detection for E1, E2, and E3 being 2.23, 0.23, and 2.11 microM, respectively. The shot-to-shot and batch-to-batch variations for the three analytes were less than 9% and 13%, respectively. We validated the practicality of this present approach through the quantitation of E2 in human urine. Using this approach, we determined the concentration of E2 in a sample of a pregnant woman's urine to be 0.16+/-0.05 microM (n=10). PMID:18640850

  11. Electrospun Nanofiber Mats as "Smart Surfaces" for Desorption Electrospray Ionization Mass Spectrometry (DESI MS)-Based Analysis and Imprint Imaging.

    Science.gov (United States)

    Hemalatha, R G; Ganayee, Mohd Azhardin; Pradeep, T

    2016-06-01

    In this paper, desorption electrospray ionization mass spectrometry (DESI MS)-based molecular analysis and imprint imaging using electrospun nylon-6 nanofiber mats are demonstrated for various analytical contexts. Uniform mats of varying thicknesses composed of ∼200 nm diameter fibers were prepared using needleless electrospinning. Analytical applications requiring rapid understanding of the analytes in single drops, dyes, inks, and/or plant extracts incorporated directly into the nanofibers are discussed with illustrations. The possibility to imprint patterns made of printing inks, plant parts (such as petals, leaves, and slices of rhizomes), and fungal growth on fruits with their faithful reproductions on the nanofiber mats is illustrated with suitable examples. Metabolites were identified by tandem mass spectrometry data available in the literature and in databases. The results highlight the significance of electrospun nanofiber mats as smart surfaces to capture diverse classes of compounds for rapid detection or to imprint imaging under ambient conditions. Large surface area, appropriate chemical functionalities exposed, and easiness of desorption due to weaker interactions of the analyte species are the specific advantages of nanofibers for this application. PMID:27159150

  12. Resonance ionization spectroscopy 1986

    International Nuclear Information System (INIS)

    The paper presents the proceedings of the Third International Symposium on Resonance Ionization Spectroscopy and its Applications, held at the University College of Swansea, Wales, 1986. The Symposium is divided into eight main sections entitled: photophysics and spectroscopy, noble gas atom counting, resonance ionization mass spectrometry, materials and surface analysis, small molecules, medical and environmental applications, resonance ionization and materials separation, and elementary particles and nuclear physics. Thirty papers were chosen for INIS and indexed separately. (U.K.)

  13. Effects of Ionizing Radiation on Surface Infesting Microbes of Stored Grain

    International Nuclear Information System (INIS)

    Spoilage of nutritional value of stored grains and seeds by the surface-infesting microbes, especially those producing mycotoxins, has been a worldwide economic problem. In this perspective our present work aims at probing into the potential of gamma rays to reduce the microbial infestation on stored grain surface and additionally to focus differential radiation sensitivity, if any, of the different fungi in response to gradient of gamma exposure. Co-60 source at 250 C emitting gamma rays at 1173 and 1332 keV energy (0.12 kGy/h) was used in the range of 0.5-6 kGy (absorbed dose) for irradiating some common stored seeds in India namely rice (Oryza sativa. Cv-2233 and Oryza sativa. Cv-Shankar), Bengal gram (Cicer arietinum. Cv-local), wheat (Triticum aestivum) and Mung (Phaseolus mungo). Gamma irradiation results in dose-dependent delay in colony formation and growth inhibition of the fungi on the seed surface. Differential rate of depletion was noted for different fungi. Effective absorbed dose for depletion of Alternaria sp., Aspergillus sp was 1 to 2 kGy while that for Tricoderma sp., Curvularia sp was 0.5-1 kGy. Complete inhibition of all the selected fungi was found above 2.5 kGy. Germinating potential of the irradiated grains remained unaffected upto an absorbed dose of 2kGy while their respective nutritional value in terms of protein and carbohydrate content was not significantly altered. Higher doses of exposure however, documented delayed seed germination. Colony forming ability (CFA) of the exposed fungi documented significant variation between fungi attached to the seed surface and that when isolated from the host. Alternaria sp, Aspergillus sp or Curvularia sp exhibited total inhibition of CFA at a much lower dose (1-3 kGy) in isolated conditions than that when seed attached (>4kGy). On the other hand Trichoderma sp expressed a different trend revealing more sensitivity in seed attached condition. Such differential response possibly reflects species

  14. Adiabatic Rearrangement of Hollow PV Towers

    Directory of Open Access Journals (Sweden)

    Eric A Hendricks

    2010-10-01

    Full Text Available Diabatic heating from deep moist convection in the hurricane eyewall produces a towering annular structure of elevated potential vorticity (PV. This structure has been referred to as a hollow PV tower. The sign reversal of the radial gradient of PV satisfies the Charney-Stern necessary condition for combined barotropic-baroclinic instability. For thin enough annular structures, small perturbations grow exponentially, extract energy from the mean flow, and lead to hollow tower breakdown, with significant vortex structural and intensity change. The three-dimensional adiabatic rearrangements of two prototypical hurricane-like hollow PV towers (one thick and one thin are examined in an idealized framework. For both hollow towers, dynamic instability causes air parcels with high PV to be mixed into the eye preferentially at lower levels, where unstable PV wave growth rates are the largest. Little or no mixing is found to occur at upper levels. The mixing at lower and middle levels is most rapid for the breakdown of the thin hollow tower, consistent with previous barotropic results. For both hollow towers, this advective rearrangement of PV affects the tropical cyclone structure and intensity in a number of ways. First, the minimum central pressure and maximum azimuthal mean velocity simultaneously decrease, consistent with previous barotropic results. Secondly, isosurfaces of absolute angular momentum preferentially shift inward at low levels, implying an adiabatic mechanism by which hurricane eyewall tilt can form. Thirdly, a PV bridge, similar to that previously found in full-physics hurricane simulations, develops as a result of mixing at the isentropic levels where unstable PV waves grow most rapidly. Finally, the balanced mass field resulting from the PV rearrangement is warmer in the eye between 900 and 700 hPa. The location of this warming is consistent with observed warm anomalies in the eye, indicating that in certain instances the hurricane

  15. Expression of Cellular Isoform of Prion Protein on the Surface of Peripheral Blood Lymphocytes Among Women Exposed to Low Doses of Ionizing Radiation

    International Nuclear Information System (INIS)

    Ionizing radiation affect the expression of adhesive and co-stimulation molecules in lymphocytes. The objective of this study was to determinate the effect of low doses of ionizing radiation on the expression of prion protein PrPc on the surface peripheral blood lymphocytes in the women operating X-ray equipment. In female workers and persons of the control group the PrPc expression on CD3 (T-lymphocytes), Cd4 (T-helper), CD8 (T-cytotoxic) and CD19 (B- lymphocytes), were tested. We conclude that in women operating X-ray equipment the relationship between low doses of ionizing radiation and expression of PrPc on lymphocytes does exist concerning CD3, CD4 and CD lymphocytes. (author)

  16. Cummins/Tacom advanced adiabatic engine

    Energy Technology Data Exchange (ETDEWEB)

    Kamo, R.; Bryzik, W.

    1984-01-01

    Cummins Engine Company, Inc. and the U.S. Army have been jointly developing an adiabatic turbocompound engine during the last nine years. Although progress in the early years was slow, recent developments in the field of advanced ceramics have made it possible to make steady progress. It is now possible to reconsider the temperature limitation imposed on current heat engines and its subsequent influence on higher engine efficiency when using an exhaust energy utilization system. This paper presents an adiabatic turbocompound diesel engine concept in which high-performance ceramics are used in its design. The adiabatic turbocompound engine will enable higher operating temperatures, reduced heat loss, and higher exhaust energy recovery, resulting in higher thermal engine efficiency. This paper indicates that the careful selection of ceramics in engine design is essential. Adiabatic engine materials requirements are defined and the possible ceramic materials which will satisfy these requirements are identified. Examples in design considerations of engine components are illustrated. In addition to these important points, the use of ceramic coatings in the design of engine components. The first generation adiabatic engine with ceramic coatings is described. The advanced adiabatic engine with minimum friction features utilizaing ceramics is also presented. The advanced ceramic turbocharger turbine rotor as well as the oilless ceramic bearing design is described. Finally, the current status of the advanced adiabatic engine program culminating in the AA750 V-8 adiabatic engine is presented.

  17. Steroid hormones analysis with surface-assisted laser desorption/ionization mass spectrometry using catechin-modified titanium dioxide nanoparticles.

    Science.gov (United States)

    Chiu, Tai-Chia

    2011-10-30

    This paper describes the application of catechin-modified titanium dioxide nanoparticles (TiO(2) NPs) as matrices to analyze four steroid hormones by surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS). The catechin-modified TiO(2) NPs have high absorbance at 337 nm and are effective SALDI matrices when using a nitrogen laser. Four test steroid hormones-cortisone, hydrocortisone, progesterone, and testosterone-were directly analyzed by SALDI-MS. The limits of detection at a signal-to-noise ratio of 3 for cortisone, hydrocortisone, progesterone, and testosterone were 1.62, 0.70, 0.66, and 0.23 μM, respectively. This approach provides good quantitative linearity for the four analytes (R(2)>0.986) with good reproducibility (the shot-to-shot and batch-to-batch variations for the four analytes were less than 10% and 15%, respectively). We validated the practicality of this approach-considering its advantages in sensitivity, repeatability, rapidity, and simplicity-through the analysis of testosterone in a urine sample. PMID:22063559

  18. Effect of surface-enhanced laser desorption/ionization time-of-flight mass spectrometry on identifing biomarkers of endometriosis

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hong; FENG Jie; CHANG Xiao-hong; LI Zhong-xing; WU Xiao-yi; CUI Heng

    2009-01-01

    Background Endometriosis is a common gynecological disease. This study aimed to screen proteins that were expressed differently in patients with endometriosis versus normal controls using proteomic techniques, surface-enhanced laser desorption/ionization time-of-flight mass spectrometry (SELDI-TOF-MS).Methods Protein chip SELDI-TOF-MS combines the advantages of microarray and mass spectrometry, and can screen latent markers in sera of patients with endometriosis. Serum samples from patients and normal volunteers were analyzed by SELDI-TOF-MS.Results After comparing the serum protein spectra of 36 patients with 24 normal controls, 24 differently expressed potential biomarkers (P <0.01) were identified. Using Biomarker Pattern software, we established a tree model of the 60 serum protein spectra. When using the three biomarkers to classify the samples, the sensitivity for diagnosing endometriosis was 91.7%, specificity was 95.8%, and coincidence rate was 93.3%. Then we used serum samples from 12 patients and 8 normal controls to validate the tree model and report the sensitivity for diagnosing endometriosis was 91.7%, specificity was 75%, and coincidence rate was 85%.Conclusions SELDI-TOF-MS may be a useful tool in high-risk population screening for endometriosis. The identification and application of the biomarkers need to further study.

  19. Non-adiabatic dynamics of molecules in optical cavities

    Energy Technology Data Exchange (ETDEWEB)

    Kowalewski, Markus, E-mail: mkowalew@uci.edu; Bennett, Kochise; Mukamel, Shaul, E-mail: smukamel@uci.edu [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States)

    2016-02-07

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

  20. Shortcut to adiabatic gate teleportation

    Science.gov (United States)

    Santos, Alan C.; Silva, Raphael D.; Sarandy, Marcelo S.

    2016-01-01

    We introduce a shortcut to the adiabatic gate teleportation model of quantum computation. More specifically, we determine fast local counterdiabatic Hamiltonians able to implement teleportation as a universal computational primitive. In this scenario, we provide the counterdiabatic driving for arbitrary n -qubit gates, which allows to achieve universality through a variety of gate sets. Remarkably, our approach maps the superadiabatic Hamiltonian HSA for an arbitrary n -qubit gate teleportation into the implementation of a rotated superadiabatic dynamics of an n -qubit state teleportation. This result is rather general, with the speed of the evolution only dictated by the quantum speed limit. In particular, we analyze the energetic cost for different Hamiltonian interpolations in the context of the energy-time complementarity.

  1. Adiabatic quantum optimization with qudits

    CERN Document Server

    Amin, M H S; Smith, Peter

    2011-01-01

    Most realistic solid state devices considered as qubits are not true two-state systems but multi-level systems. They can approximately be considered as qubits only if the energy separation of the upper energy levels from the lowest two is very large. If this condition is not met, the upper states may affect the evolution and therefore cannot be neglected. Here, we consider devices with double-well potential as basic logical elements, and study the effect of higher energy levels, beyond the lowest two, on adiabatic quantum optimization. We show that the extra levels can be modeled by adding additional (ancilla) qubits coupled to the original (logical) qubits. The presence of these levels is shown to have no effect on the final ground state. We also study their influence on the minimum gap for a set of 8-qubit spin glass instances.

  2. On a Nonlinear Model in Adiabatic Evolutions

    Science.gov (United States)

    Sun, Jie; Lu, Song-Feng

    2016-08-01

    In this paper, we study a kind of nonlinear model of adiabatic evolution in quantum search problem. As will be seen here, for this problem, there always exists a possibility that this nonlinear model can successfully solve the problem, while the linear model can not. Also in the same setting, when the overlap between the initial state and the final stare is sufficiently large, a simple linear adiabatic evolution can achieve O(1) time efficiency, but infinite time complexity for the nonlinear model of adiabatic evolution is needed. This tells us, it is not always a wise choice to use nonlinear interpolations in adiabatic algorithms. Sometimes, simple linear adiabatic evolutions may be sufficient for using. Supported by the National Natural Science Foundation of China under Grant Nos. 61402188 and 61173050. The first author also gratefully acknowledges the support from the China Postdoctoral Science Foundation under Grant No. 2014M552041

  3. Partial evolution based local adiabatic quantum search

    Institute of Scientific and Technical Information of China (English)

    Sun Jie; Lu Song-Feng; Liu Fang; Yang Li-Ping

    2012-01-01

    Recently,Zhang and Lu provided a quantum search algorithm based on partial adiabatic evolution,which beats the time bound of local adiabatic search when the number of marked items in the unsorted database is larger than one.Later,they found that the above two adiabatic search algorithms had the same time complexity when there is only one marked item in the database.In the present paper,following the idea of Roland and Cerf [Roland J and Cerf N J 2002Phys.Rev.A 65 042308],if within the small symmetric evolution interval defined by Zhang et al.,a local adiabatic evolution is performed instead of the original “global” one,this “new” algorithm exhibits slightly better performance,although they are progressively equivalent with M increasing.In addition,the proof of the optimality for this partial evolution based local adiabatic search when M =1 is also presented.Two other special cases of the adiabatic algorithm obtained by appropriately tuning the evolution interval of partial adiabatic evolution based quantum search,which are found to have the same phenomenon above,are also discussed.

  4. Determination of Macrolide Antibiotics Using Dispersive Liquid-Liquid Microextraction Followed by Surface-Assisted Laser Desorption/Ionization Mass Spectrometry

    Science.gov (United States)

    Chen, Kuan-Yu; Yang, Thomas C.; Chang, Sarah Y.

    2012-06-01

    A novel method for the determination of macrolide antibiotics using dispersive liquid-liquid microextraction coupled to surface-assisted laser desorption/ionization mass spectrometric detection was developed. Acetone and dichloromethane were used as the disperser solvent and extraction solvent, respectively. A mixture of extraction solvent and disperser solvent were rapidly injected into a 1.0 mL aqueous sample to form a cloudy solution. After the extraction, macrolide antibiotics were detected using surface-assisted laser desorption/ionization mass spectrometry (SALDI/MS) with colloidal silver as the matrix. Under optimum conditions, the limits of detection (LODs) at a signal-to-noise ratio of 3 were 2, 3, 3, and 2 nM for erythromycin (ERY), spiramycin (SPI), tilmicosin (TILM), and tylosin (TYL), respectively. This developed method was successfully applied to the determination of macrolide antibiotics in human urine samples.

  5. Digital Waveguide Adiabatic Passage Part 2: Experiment

    CERN Document Server

    Ng, Vincent; Chaboyer, Zachary J; Nguyen, Thach; Dawes, Judith M; Withford, Michael J; Greentree, Andrew D; Steel, M J

    2016-01-01

    Using a femtosecond laser writing technique, we fabricate and characterise three-waveguide digital adiabatic passage devices, with the central waveguide digitised into five discrete waveguidelets. Strongly asymmetric behaviour was observed, devices operated with high fidelity in the counter-intuitive scheme while strongly suppressing transmission in the intuitive. The low differential loss of the digital adiabatic passage designs potentially offers additional functionality for adiabatic passage based devices. These devices operate with a high contrast ($>\\!90\\%$) over a 60~nm bandwidth, centered at $\\sim 823$~nm.

  6. Using Surface-Assisted Laser Desorption/Ionization Mass Spectrometry to Detect ss- and ds-Oligodeoxynucleotides

    Science.gov (United States)

    Chen, Wen-Tsen; Huang, Ming-Feng; Chang, Huan-Tsung

    2013-06-01

    We applied surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS) with HgTe nanostructures as the matrix for the detection of single- and double-stranded oligodeoxynucleotides (ss-ODNs and ds-ODNs). The concentrations of surfactant and additives (metal ions, an amine) and the pH and ionic strength of the sample matrix played significantly different roles in the detection of ss- and ds-ODNs with various sequences. In the presence of Brij 76 (1.5 %), Hg2+ (7.5 μM), and cadaverine (10 μM) at pH 5.0, this SALDI-MS approach allowed the simultaneous detection of T15, T20, T33, and T40, with limits of detection at the femtomole-to-picomole level and sample-to-sample intensity variation <23 %. In the presence of Ag+ (1 μM) and cadaverine (10 μM) at pH 7.0, this technique allowed the detection of randomly sequenced ss- and ds-ODNs at concentrations down to the femtomole level. To the best of our knowledge, this paper is the first to report the detection of ss-ODNs (up to 50-mer) and ds-ODNs (up to 30 base pairs) through the combination of SALDI-MS with HgTe nanostructures as matrices. We demonstrated the practicality of this approach through analysis of a single nucleotide polymorphism that determines the fate of the valine residue in the β-globin of sickle cell megaloblasts.

  7. Dissipative particle dynamics simulations of weak polyelectrolyte adsorption on charged and neutral surfaces as a function of the degree of ionization

    OpenAIRE

    F. Alarcón; E. Pérez; Goicochea, A. Gama

    2012-01-01

    The influence of the chain degree of ionization on the adsorption of weak polyelectrolytes on neutral and on oppositely and likely charged surfaces is investigated for the first time, by means of Monte Carlo simulations with the mesoscopic interaction model known as dissipative particle dynamics. The electrostatic interactions are calculated using the three-dimensional Ewald sum method, with an appropriate modification for confined systems. Effective wall forces confine the linear polyelectro...

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

    International Nuclear Information System (INIS)

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

  9. Adiabatic far-field sub-diffraction imaging

    Science.gov (United States)

    Cang, Hu; Salandrino, Alessandro; Wang, Yuan; Zhang, Xiang

    2015-08-01

    The limited resolution of a conventional optical imaging system stems from the fact that the fine feature information of an object is carried by evanescent waves, which exponentially decays in space and thus cannot reach the imaging plane. We introduce here an adiabatic lens, which utilizes a geometrically conformal surface to mediate the interference of slowly decompressed electromagnetic waves at far field to form images. The decompression is satisfying an adiabatic condition, and by bridging the gap between far field and near field, it allows far-field optical systems to project an image of the near-field features directly. Using these designs, we demonstrated the magnification can be up to 20 times and it is possible to achieve sub-50 nm imaging resolution in visible. Our approach provides a means to extend the domain of geometrical optics to a deep sub-wavelength scale.

  10. Thermoelectric Effects under Adiabatic Conditions

    Directory of Open Access Journals (Sweden)

    George Levy

    2013-10-01

    Full Text Available This paper investigates not fully explained voltage offsets observed by several researchers during the measurement of the Seebeck coefficient of high Z materials. These offsets, traditionally attributed to faulty laboratory procedures, have proven to have an irreducible component that cannot be fully eliminated in spite of careful laboratory procedures. In fact, these offsets are commonly observed and routinely subtracted out of commercially available Seebeck measurement systems. This paper offers a possible explanation based on the spontaneous formation of an adiabatic temperature gradient in the presence of a force field. The diffusion-diffusion heat transport mechanism is formulated and applied to predict two new thermoelectric effects. The first is the existence of a temperature gradient across a potential barrier in a semiconductor and the second is the Onsager reciprocal of the first, that is, the presence of a measureable voltage that arises across a junction when the temperature gradient is forced to zero by a thermal clamp. Suggested future research includes strategies for utilizing the new thermoelectric effects.

  11. Adiabatic hydrodynamics: The eightfold way to dissipation

    CERN Document Server

    Haehl, Felix M; Rangamani, Mukund

    2015-01-01

    We provide a complete solution to hydrodynamic transport at all orders in the gradient expansion compatible with the second law constraint. The key new ingredient we introduce is the notion of adiabaticity, which allows us to take hydrodynamics off-shell. Adiabatic fluids are such that off-shell dynamics of the fluid compensates for entropy production. The space of adiabatic fluids is quite rich, and admits a decomposition into seven distinct classes. Together with the dissipative class this establishes the eightfold way of hydrodynamic transport. Furthermore, recent results guarantee that dissipative terms beyond leading order in the gradient expansion are agnostic of the second law. While this completes a transport taxonomy, we go on to argue for a new symmetry principle, an Abelian gauge invariance that guarantees adiabaticity in hydrodynamics. We suggest that this symmetry is the macroscopic manifestation of the microscopic KMS invariance. We demonstrate its utility by explicitly constructing effective ac...

  12. Adiabatic Invariance of Oscillons/I-balls

    CERN Document Server

    Kawasaki, Masahiro; Takeda, Naoyuki

    2015-01-01

    Real scalar fields are known to fragment into spatially localized and long-lived solitons called oscillons or $I$-balls. We prove the adiabatic invariance of the oscillons/$I$-balls for a potential that allows periodic motion even in the presence of non-negligible spatial gradient energy. We show that such potential is uniquely determined to be the quadratic one with a logarithmic correction, for which the oscillons/$I$-balls are absolutely stable. For slightly different forms of the scalar potential dominated by the quadratic one, the oscillons/$I$-balls are only quasi-stable, because the adiabatic charge is only approximately conserved. We check the conservation of the adiabatic charge of the $I$-balls in numerical simulation by slowly varying the coefficient of logarithmic corrections. This unambiguously shows that the longevity of oscillons/$I$-balls is due to the adiabatic invariance.

  13. Adiabatic Quantum Search in Open Systems

    Science.gov (United States)

    Wild, Dominik S.; Gopalakrishnan, Sarang; Knap, Michael; Yao, Norman Y.; Lukin, Mikhail D.

    2016-10-01

    Adiabatic quantum algorithms represent a promising approach to universal quantum computation. In isolated systems, a key limitation to such algorithms is the presence of avoided level crossings, where gaps become extremely small. In open quantum systems, the fundamental robustness of adiabatic algorithms remains unresolved. Here, we study the dynamics near an avoided level crossing associated with the adiabatic quantum search algorithm, when the system is coupled to a generic environment. At zero temperature, we find that the algorithm remains scalable provided the noise spectral density of the environment decays sufficiently fast at low frequencies. By contrast, higher order scattering processes render the algorithm inefficient at any finite temperature regardless of the spectral density, implying that no quantum speedup can be achieved. Extensions and implications for other adiabatic quantum algorithms will be discussed.

  14. AB INITIO SIMULATIONS FOR MATERIAL PROPERTIES ALONG THE JUPITER ADIABAT

    International Nuclear Information System (INIS)

    We determine basic thermodynamic and transport properties of hydrogen-helium-water mixtures for the extreme conditions along Jupiter's adiabat via ab initio simulations, which are compiled in an accurate and consistent data set. In particular, we calculate the electrical and thermal conductivity, the shear and longitudinal viscosity, and diffusion coefficients of the nuclei. We present results for associated quantities like the magnetic and thermal diffusivity and the kinematic shear viscosity along an adiabat that is taken from a state-of-the-art interior structure model. Furthermore, the heat capacities, the thermal expansion coefficient, the isothermal compressibility, the Grüneisen parameter, and the speed of sound are calculated. We find that the onset of dissociation and ionization of hydrogen at about 0.9 Jupiter radii marks a region where the material properties change drastically. In the deep interior, where the electrons are degenerate, many of the material properties remain relatively constant. Our ab initio data will serve as a robust foundation for applications that require accurate knowledge of the material properties in Jupiter's interior, e.g., models for the dynamo generation.

  15. Muonic molecules as three-body Coulomb problem in adiabatic approximation

    International Nuclear Information System (INIS)

    The three-body Coulomb problem is treated within the framework of the hyperspherical adiabatic approach. The surface functions are expanded into Faddeev-type components in order to ensure the equivalent representation of all possible two-body contributions. It is shown that this decomposition reduces the numerical effort considerably. The remaining radial equations are solved both in the extreme and the uncoupled adiabatic approximation to determine the binding energies of the systems (dtμ) and (d3Heμ). Whereas the ground state is described very well in the uncoupled adiabatic approximation, the excited states should be treated within the coupled adiabatic approximation to obtain good agreement with variational calculations. (orig.)

  16. Adiabatic Heavy Ion Fusion Potentials for Fusion at Deep Sub-barrier Energies

    CERN Document Server

    Sastry, S V S; Mohanty, A K; Saxena, A

    2003-01-01

    The fusion cross sections from well above barrier to extreme sub-barrier energies have been analysed using the energy (E) and angular momentum (L) dependent barrier penetration model ({\\small{ELDBPM}}). From this analysis, the adiabatic limits of fusion barriers have been determined for a wide range of heavy ion systems. The empirical prescription of Wilzynska and Wilzynski has been used with modified radius parameter and surface tension coefficient values consistent with the parameterization of the nuclear masses. The adiabatic fusion barriers calculated from this prescription are in good agreement with the adiabatic barriers deduced from {\\small{ELDBPM}} fits to fusion data. The nuclear potential diffuseness is larger at adiabatic limit, resulting in a lower $\\hbar\\omega$ leading to increase of "logarithmic slope" observed at energies well below the barrier. The effective fusion barrier radius and curvature values are anomalously smaller than the predictions of known empirical prescriptions. A detailed comp...

  17. Amplitudes of solar-like oscillations in red giants: Departures from the quasi-adiabatic approximation

    Directory of Open Access Journals (Sweden)

    Barban C.

    2013-03-01

    Full Text Available CoRoT and Kepler measurements reveal us that the amplitudes of solar-like oscillations detected in red giant stars scale from stars to stars in a characteristic way. This observed scaling relation is not yet fully understood but constitutes potentially a powerful diagnostic about mode physics. Quasi-adiabatic theoretical scaling relations in terms of mode amplitudes result in systematic and large differences with the measurements performed for red giant stars. The use of a non-adiabatic intensity-velocity relation derived from a non-adiabatic pulsation code significantly reduces the discrepancy with the CoRoT measurements. The origin of the remaining difference is still unknown. Departure from adiabatic eigenfunction is a very likely explanation that is investigated in the present work using a 3D hydrodynamical model of the surface layers of a representative red giant star.

  18. Adiabatic Approximation, Semiclassical Scattering, and Unidirectional Invisibility

    OpenAIRE

    Mostafazadeh, Ali

    2014-01-01

    arXiv:1401.4315v3 [quant-ph] 27 Feb 2014 Adiabatic Approximation, Semiclassical Scattering, and Unidirectional Invisibility Ali Mostafazadeh∗ Department of Mathematics, Ko¸c University, 34450 Sarıyer, Istanbul, Turkey Abstract The transfer matrix of a possibly complex and energy-dependent scattering potential can be identified with the S-matrix of a two-level time-dependent non-Hermitian Hamiltonian H( ). We show that the application of the adiabatic approximation ...

  19. Adiabatic description of nonspherical quantum dot models

    Energy Technology Data Exchange (ETDEWEB)

    Gusev, A. A., E-mail: gooseff@jinr.ru; Chuluunbaatar, O.; Vinitsky, S. I. [Joint Institute for Nuclear Research (Russian Federation); Dvoyan, K. G.; Kazaryan, E. M.; Sarkisyan, H. A. [Russian-Armenian (Slavonic) University (Armenia); Derbov, V. L.; Klombotskaya, A. S.; Serov, V. V. [Saratov State University (Russian Federation)

    2012-10-15

    Within the effective mass approximation an adiabatic description of spheroidal and dumbbell quantum dot models in the regime of strong dimensional quantization is presented using the expansion of the wave function in appropriate sets of single-parameter basis functions. The comparison is given and the peculiarities are considered for spectral and optical characteristics of the models with axially symmetric confining potentials depending on their geometric size, making use of the complete sets of exact and adiabatic quantum numbers in appropriate analytic approximations.

  20. Adiabatic Connection for Strictly-Correlated Electrons

    OpenAIRE

    Liu, Zhenfei; Burke, Kieron

    2009-01-01

    Modern density functional theory (DFT) calculations employ the Kohn-Sham (KS) system of non-interacting electrons as a reference, with all complications buried in the exchange-correlation energy (Exc). The adiabatic connection formula gives an exact expression for Exc. We consider DFT calculations that instead employ a reference of strictly-correlated electrons. We define a "decorrelation energy" that relates this reference to the real system, and derive the corresponding adiabatic connection...

  1. On adiabatic invariant in generalized Galileon theories

    OpenAIRE

    Ema, Yohei; Jinno, Ryusuke; Mukaida, Kyohei; Nakayama,Kazunori

    2015-01-01

    We consider background dynamics of generalized Galileon theories in the context of inflation, where gravity and inflaton are non-minimally coupled to each other. In the inflaton oscillation regime, the Hubble parameter and energy density oscillate violently in many cases, in contrast to the Einstein gravity with minimally coupled inflaton. However, we find that there is an adiabatic invariant in the inflaton oscillation regime in any generalized Galileon theory. This adiabatic invariant is us...

  2. Adiabatic fission barriers in superheavy nuclei

    CERN Document Server

    Jachimowicz, P; Skalski, J

    2016-01-01

    Using the microscopic-macroscopic model based on the deformed Woods-Saxon single-particle potential and the Yukawa-plus-exponential macroscopic energy we calculated static fission barriers $B_{f}$ for 1305 heavy and superheavy nuclei $98\\leq Z \\leq 126$, including even - even, odd - even, even - odd and odd - odd systems. For odd and odd-odd nuclei, adiabatic potential energy surfaces were calculated by a minimization over configurations with one blocked neutron or/and proton on a level from the 10-th below to the 10-th above the Fermi level. The parameters of the model that have been fixed previously by a fit to masses of even-even heavy nuclei were kept unchanged. A search for saddle points has been performed by the "Imaginary Water Flow" method on a basic five-dimensional deformation grid, including triaxiality. Two auxiliary grids were used for checking the effects of the mass asymmetry and hexadecapole non-axiallity. The ground states were found by energy minimization over configurations and deformations...

  3. Topological States and Adiabatic Pumping in Quasicrystals

    Science.gov (United States)

    Kraus, Yaakov; Lahini, Yoav; Ringel, Zohar; Verbin, Mor; Zilberberg, Oded

    2012-02-01

    We find a connection between quasicrystals and topological matter, namely that quasicrystals exhibit non-trivial topological phases attributed to dimensions higher than their own [1]. Quasicrystals are materials which are neither ordered nor disordered, i.e. they exhibit only long-range order [2]. This long-range order is usually expressed as a projection from a higher dimensional ordered system. Recently, the unrelated discovery of Topological Insulators [3] defined a new type of materials classified by their topology. We show theoretically and experimentally using photonic lattices, that one-dimensional quasicrystals exhibit topologically-protected boundary states equivalent to the edge states of the two-dimensional Integer Quantum Hall Effect. We harness this property to adiabatically pump light across the quasicrystal, and generalize our results to higher dimensional systems. Hence, quasicrystals offer a new platform for the study of topological phases while their topology may better explain their surface properties.[4pt] [1] Y. E. Kraus, Y. Lahini, Z. Ringel, M. Verbin, and O. Zilberberg, arXiv:1109.5983 (2011).[0pt] [2] C. Janot, Quasicrystals (Clarendon, Oxford, 1994), 2nd ed.[0pt] [3] M. Z. Hasan and C. L. Kane, Rev. Mod. Phys. 82, 3045 (2010).

  4. Hierarchical theory of quantum adiabatic evolution

    Science.gov (United States)

    Zhang, Qi; Gong, Jiangbin; Wu, Biao

    2014-12-01

    Quantum adiabatic evolution is a dynamical evolution of a quantum system under slow external driving. According to the quantum adiabatic theorem, no transitions occur between nondegenerate instantaneous energy eigenstates in such a dynamical evolution. However, this is true only when the driving rate is infinitesimally small. For a small nonzero driving rate, there are generally small transition probabilities between the energy eigenstates. We develop a classical mechanics framework to address the small deviations from the quantum adiabatic theorem order by order. A hierarchy of Hamiltonians is constructed iteratively with the zeroth-order Hamiltonian being determined by the original system Hamiltonian. The kth-order deviations are governed by a kth-order Hamiltonian, which depends on the time derivatives of the adiabatic parameters up to the kth-order. Two simple examples, the Landau-Zener model and a spin-1/2 particle in a rotating magnetic field, are used to illustrate our hierarchical theory. Our analysis also exposes a deep, previously unknown connection between classical adiabatic theory and quantum adiabatic theory.

  5. An Integrated Programming and Development Environment for Adiabatic Quantum Optimization

    OpenAIRE

    Humble, Travis S.; McCaskey, Alex J.; Bennink, Ryan S.; Billings, Jay J.; D'Azevedo, Ed F.; Sullivan, Blair D.; Klymko, Christine F.; Seddiqi, Hadayat

    2013-01-01

    Adiabatic quantum computing is a promising route to the computational power afforded by quantum information processing. The recent availability of adiabatic hardware has raised challenging questions about how to evaluate adiabatic quantum optimization programs. Processor behavior depends on multiple steps to synthesize an adiabatic quantum program, which are each highly tunable. We present an integrated programming and development environment for adiabatic quantum optimization called JADE tha...

  6. Correlation of skin blanching and percutaneous absorption for glucocorticoid receptor agonists by matrix-assisted laser desorption ionization mass spectrometry imaging and liquid extraction surface analysis with nanoelectrospray ionization mass spectrometry.

    Science.gov (United States)

    Marshall, Peter; Toteu-Djomte, Valerie; Bareille, Philippe; Perry, Hayley; Brown, Gillian; Baumert, Mark; Biggadike, Keith

    2010-09-15

    Matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI) and liquid extraction surface analysis (LESA) with nanoelectrospray ionization mass spectrometry (nESI-MS) have both been successfully employed to determine the degree of percutaneous absorption of three novel nonsteroid glucocorticoid receptor (GR) agonists in porcine ear sections. Historically, the ability of a glucocorticoid to elicit a skin blanching response when applied at low dose in ethanol solution to the forearms of healthy human volunteers has been a reliable predictor of their topical anti-inflammatory activity. While all three nonsteroidal GR agonists under investigation caused a skin blanching effect, the responses did not correlate with in vitro GR agonist potencies and different time courses were also observed for the skin blanching responses. MALDI MSI and LESA with nESI-MS were used to investigate and understand these different responses. The findings of the investigation was that the depth of porcine skin penetration correlates to the degree of skin blanching obtained for the same three compounds in human volunteers.

  7. On criterion of modal adiabaticity

    Institute of Scientific and Technical Information of China (English)

    WANG; Ning(

    2001-01-01

    [1]Pierce, A. D., Extension of the method of normal modes to sound propagation in an almost-stratified medium, J. Acoust.Soc. Am., 1965, 37: 19-27.[2]Wang, D. Z. , Shang, E. C., Underwater Acoustics (in Chinese), Beijing: Science Press, 1981.[3]Zhang Renhe, Li Fenghua, Beam-displacement rya-mode theory of sound propagation in shallow water, Science in China, Ser.A, 1999, 42(7): 739-749.[4]Zhou Jixun, Zhang Xuezhen, Rogers P., Resonance interaction of sound waves with internal solitons in coastal zone, J.Acoust. Soc. Am., 1991, 90: 2042-2054.[5]Shang, E. C., Wang, Y. Y., The impact of mesoscale oceanic structure on global-scale acoustic propagation, in Theoretical and Computational Acoustics (ed. Ding Lee et al. ), Singapore: World Scientific Publishing Co. , 1996, 409-431.[6]Milder, D. M., Ray and wave invariants for SOFAR channel propagation, J. Acoust. Soc. Am., 1969, 46: 1259-1263.[7]Nag l, A., Milder, D. M., Adiabatic mode theory of underwater sound propagation in a range-dependent environment, J.Acoust. Soc. Am., 1978, 63: 739-749.[8]Brekhovskikh, L. M., Waves in Layered Media, 2nd ed., New York: Academic Press Inc., 1973.[9]Brekhovskikh, L. M., Lysanov, Yu., Fundamental of Ocean Acoustics, Ch. 7, Sec. 7.2, Berlin: Springer-Verlag, 1982.[10]Evans, R. B., A coupled mode solution for acoustic propagation in a wave-guide with stepwise depth variations of a penerable bottom, J. Acoust. Soc. A.m., 1983, 74: 188-195.[11]Jensen, F. B., Kuperman, W. A., Porter, M. B. et al., Computational Ocean Acoustics, New York: Springer-Verlag,1992.[12]Wang Ning, Inverse scattering problem for the coupled second order ODE, Journal of The Physical Society of Japan, 1995, 64(12): 4907-4915.

  8. Adiabatic cooling of a single trapped ion

    CERN Document Server

    Poulsen, Gregers

    2012-01-01

    We present experimental results on adiabatic cooling of a single 40Ca+ ion in a linear radiofrequency trap. After a period of laser cooling, the secular frequency along the rf-field-free axis is adiabatically lowered by nearly a factor of eight from 583 kHz to 75 kHz. For an ion originally Doppler laser cooled to a temperature of 0.65 +/- 0.03 mK, a temperature of 87 +/- 7 \\mu K is measured after the adiabatic expansion. Applying the same adiabatic cooling procedure to a single sideband cooled ion in the ground state (P0 = 0.978 +/- 0.002) resulted in a final ground state occupation of 0.947 +/- 0.005. Both results are in excellent agreement with an essentially fully adiabatic behavior. The results have a wide range of perspectives within such diverse fields as ion based quantum information science, high resolution molecular ion spectroscopy and ion chemistry at ultra-low temperatures.

  9. Sample-first preparation: a method for surface-assisted laser desorption/ionization time-of-flight mass spectrometry analysis of cyclic oligosaccharides.

    Science.gov (United States)

    Wu, Hsin-Pin; Su, Chih-Lin; Chang, Hui-Chiu; Tseng, Wei-Lung

    2007-08-15

    A new sample preparation method for the analysis of cyclic oligosaccharides in surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS) is presented. We call this new technique "sample first method", in which a sample is deposited first and then bare gold nanoparticles (AuNPs), which serve as the SALDI matrixes, are added to the top of the sample layer. The use of the sample first method offers significant advantages for improving shot-to-shot reproducibility, enhancing the ionization efficiency of the analyte, and reducing sample preparation time as compared to the dried-droplet method, wherein samples and bare AuNPs are mixed and dried together. The relative standard deviation (RSD) values of the signal intensity as calculated from 65 sample spots was 25% when the sample first methods were applied to the analysis of beta-cyclodextrin. The results were more homogeneous as compared to the outcome using dried-droplet preparation of AuNPs (RSD=66%) and 2,5-dihydroxybenzoic acid (RSD=209%). We also found out that the optimal concentration of AuNP for ionization efficiency is 7.4 nM (4.52x10(12) particles/mL) while the lowest detectable concentration of cyclic oligosaccharides through this approach is 0.25 microM. Except for the cyclic oligosaccharide, the proposed method was also applied to the analyses of other biological samples, including neutral carbohydrate and steroid, aminothiols, and peptides as well as proteins.

  10. Experimental study on the adiabatic shear bands

    International Nuclear Information System (INIS)

    Four martensitic steels (Z50CDV5 steel, 28CND8 steel, 35NCDV16 steel and 4340 steel) with different hardness between 190 and 600 Hsub(B) (Brinell hardness), have been studied by means of dynamic compressive tests on split Hopkinson pressure bar. Microscopic observations show that the fracture are associated to the development of adiabatic shear bands (except 4340 steel with 190 Hsub(B) hardness). By means of tests for which the deformation is stopped at predetermined levels, the measurement of shear and hardness inside the band and the matrix indicates the chronology of this phenomenon: first the localization of shear, followed by the formation of adiabatic shear band and ultimatly crack initiation and propagation. These results correlated with few simulations by finite elements have permitted to suggest two mecanisms of deformation leading to the formation of adiabatic shear bands in this specific test

  11. Adiabatic Quantum Computing for Random Satisfiability Problems

    CERN Document Server

    Hogg, T

    2003-01-01

    The discrete formulation of adiabatic quantum computing is compared with other search methods, classical and quantum, for random satisfiability (SAT) problems. With the number of steps growing only as the cube of the number of variables, the adiabatic method gives solution probabilities close to one for problem sizes feasible to evaluate. However, for these sizes the minimum energy gaps are fairly large, so may not reflect asymptotic behavior where costs are dominated by tiny gaps. Moreover, the resulting search costs are much higher than other methods, but can be reduced by using fewer steps. Variants of the quantum algorithm that do not match the adiabatic limit give lower costs, on average, and slower growth than the conventional GSAT heuristic method.

  12. Energy efficiency of adiabatic superconductor logic

    Science.gov (United States)

    Takeuchi, Naoki; Yamanashi, Yuki; Yoshikawa, Nobuyuki

    2015-01-01

    Adiabatic superconductor logic (ASL), including adiabatic quantum-flux-parametron (AQFP) logic, exhibits high energy efficiency because its bit energy can be decreased below the thermal energy through adiabatic switching operations. In the present paper, we present the general scaling laws of ASL and compare the energy efficiency of ASL with those of other energy-efficient logics. Also, we discuss the minimum energy-delay product (EDP) of ASL at finite temperature. Our study shows that there is a maximum temperature at which the EDP can reach the quantum limit given by ħ/2, which is dependent on the superconductor material and the Josephson junction quality, and that it is reasonable to operate ASL at cryogenic temperatures in order to achieve an EDP that approaches ħ/2.

  13. Double adiabatic theory of collisionless geodesic acoustic modes in tokamaks

    CERN Document Server

    Hassam, A B

    2011-01-01

    Collisionless geodesic acoustic modes in tokamaks being supersonic for large "safety factor" q, the CGL (G. Chew, M. Goldberger, F. Low, 1956)1 double-adiabatic fluid closure is applied to formulate a theory for these modes. The basic linear normal mode is obtained. External means to drive these modes at resonance, as has been proposed earlier, are explored. The external drivers considered include external magnetic forces to effect flux surface displacements, as well as non-axisymmetric ion heating. Finally, the damping of these modes from collisional magnetic pumping is investigated using a model set of CGL collision-corrected equations.

  14. 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.

  15. Ramsey numbers and adiabatic quantum computing

    OpenAIRE

    Gaitan, Frank; Clark, Lane

    2011-01-01

    The graph-theoretic Ramsey numbers are notoriously difficult to calculate. In fact, for the two-color Ramsey numbers $R(m,n)$ with $m,n\\geq 3$, only nine are currently known. We present a quantum algorithm for the computation of the Ramsey numbers $R(m,n)$. We show how the computation of $R(m,n)$ can be mapped to a combinatorial optimization problem whose solution can be found using adiabatic quantum evolution. We numerically simulate this adiabatic quantum algorithm and show that it correctl...

  16. Staying adiabatic with unknown energy gap

    CERN Document Server

    Nehrkorn, J; Ekert, A; Smerzi, A; Fazio, R; Calarco, T

    2011-01-01

    We introduce an algorithm to perform an optimal adiabatic evolution that operates without an apriori knowledge of the system spectrum. By probing the system gap locally, the algorithm maximizes the evolution speed, thus minimizing the total evolution time. We test the algorithm on the Landau-Zener transition and then apply it on the quantum adiabatic computation of 3-SAT: The result is compatible with an exponential speed-up for up to twenty qubits with respect to classical algorithms. We finally study a possible algorithm improvement by combining it with the quantum Zeno effect.

  17. Complexity of the Quantum Adiabatic Algorithm

    Science.gov (United States)

    Hen, Itay

    2013-01-01

    The Quantum Adiabatic Algorithm (QAA) has been proposed as a mechanism for efficiently solving optimization problems on a quantum computer. Since adiabatic computation is analog in nature and does not require the design and use of quantum gates, it can be thought of as a simpler and perhaps more profound method for performing quantum computations that might also be easier to implement experimentally. While these features have generated substantial research in QAA, to date there is still a lack of solid evidence that the algorithm can outperform classical optimization algorithms.

  18. Adiabatic Flame Temperature for Combustion of Methane

    Directory of Open Access Journals (Sweden)

    Rebeca Pupo

    2011-01-01

    Full Text Available This project calculated the adiabatic flame temperature of a combustion reaction of pure methane and oxygen, assuming that all of the heat liberated by the combustion reaction goes into heating the resulting mixture. Mole fractions of methane to oxygen were computed from 0.05 to 0.95, in increments of 0.05, and then an integral was computed was computed with respect to temperature using the moles of product produced or leftover moles of reactants from the starting mole fraction times the specific heat of each respective gas. The highest adiabatic flame temperature evaluated, occurred at a mole fraction of 0.35.

  19. Adiabatic theorem for non-hermitian time-dependent open systems

    CERN Document Server

    Fleischer, A; Fleischer, Avner; Moiseyev, Nimrod

    2005-01-01

    In the conventional quantum mechanics (i.e., hermitian QM) the adia- batic theorem for systems subjected to time periodic fields holds only for bound systems and not for open ones (where ionization and dissociation take place) [D. W. Hone, R. Ketzmerik, and W. Kohn, Phys. Rev. A 56, 4045 (1997)]. Here with the help of the (t,t') formalism combined with the complex scaling method we derive an adiabatic theorem for open systems and provide an analytical criteria for the validity of the adiabatic limit. The use of the complex scaling transformation plays a key role in our derivation. As a numerical example we apply the adiabatic theorem we derived to a 1D model Hamiltonian of Xe atom which interacts with strong, monochromatic sine-square laser pulses. We show that the gener- ation of odd-order harmonics and the absence of hyper-Raman lines, even when the pulses are extremely short, can be explained with the help of the adiabatic theorem we derived.

  20. "Single-cycle" ionization effects in laser-matter interaction

    OpenAIRE

    Jarque, E. Conejero; Cornolti, F.; Macchi, A; Ruhl, H.

    2000-01-01

    We investigate numerically effects related to ``single-cycle'' ionization of dense matter by an ultra-short laser pulse. The strongly non-adiabatic response of electrons leads to generation of a megagauss steady magnetic field in laser-solid interaction. By using two-beam interference, it is possible to create periodic density structures able to trap light and to generate relativistic ionization fronts

  1. Geometry- and diffraction-independent ionization probabilities in intense laser fields: probing atomic ionization mechanisms with effective intensity matching

    CERN Document Server

    Bryan, W A; English, E M L; Goodworth, T R J; Newell, W R; McKenna, J A; Suresh, M; Srigengan, B; Williams, I D; Turcu, I C E; Smith, J M; Divall, E J; Hooker, C J; Langley, A J

    2005-01-01

    We report a novel experimental technique for the comparison of ionization processes in ultrafast laser pulses irrespective of pulse ellipticity. Multiple ionization of xenon by 50 fs 790 nm, linearly and circularly polarized laser pulses is observed over the intensity range 10 TW/cm^2 to 10 PW/cm^2 using Effective Intensity Matching (EIM), which is coupled with Intensity Selective Scanning (ISS) to recover the geometry-independent probability of ionization. Such measurements, made possible by quantifying diffraction effects in the laser focus, are compared directly to theoretical predictions of multiphoton, tunnel and field ionization, and a remarkable agreement demonstrated. EIM-ISS allows the straightforward quantification of the probability of recollision ionization in a linearly polarized laser pulse. Furthermore, probability of ionization is discussed in terms of the Keldysh adiabaticity parameter, gamma, and the influence of the precursor ionic states present in recollision ionization is observed for th...

  2. Semi adiabatic theory of seasonal Markov processes

    Energy Technology Data Exchange (ETDEWEB)

    Talkner, P. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    The dynamics of many natural and technical systems are essentially influenced by a periodic forcing. Analytic solutions of the equations of motion for periodically driven systems are generally not known. Simulations, numerical solutions or in some limiting cases approximate analytic solutions represent the known approaches to study the dynamics of such systems. Besides the regime of weak periodic forces where linear response theory works, the limit of a slow driving force can often be treated analytically using an adiabatic approximation. For this approximation to hold all intrinsic processes must be fast on the time-scale of a period of the external driving force. We developed a perturbation theory for periodically driven Markovian systems that covers the adiabatic regime but also works if the system has a single slow mode that may even be slower than the driving force. We call it the semi adiabatic approximation. Some results of this approximation for a system exhibiting stochastic resonance which usually takes place within the semi adiabatic regime are indicated. (author) 1 fig., 8 refs.

  3. Quantum Pumping and Adiabatic Transport in Nanostructures

    NARCIS (Netherlands)

    Wakker, G.M.M.

    2011-01-01

    This thesis consists of a theoretical exploration of quantum transport phenomena and quantum dynamics in nanostructures. Specifically, we investigate adiabatic quantum pumping of charge in several novel types of nanostructures involving open quantum dots or graphene. For a bilayer of graphene we fin

  4. Adiabatic transition probability for a tangential crossing

    OpenAIRE

    Watanabe, Takuya

    2006-01-01

    We consider a time-dependent Schrödinger equation whose Hamiltonian is a $2\\times 2$ real symmetric matrix. We study, using an exact WKB method, the adiabatic limit of the transition probability in the case where several complex eigenvalue crossing points accumulate to one real point.

  5. Improving the positive feedback adiabatic logic familiy

    Directory of Open Access Journals (Sweden)

    J. Fischer

    2004-01-01

    Full Text Available Positive Feedback Adiabatic Logic (PFAL shows the lowest energy dissipation among adiabatic logic families based on cross-coupled transistors, due to the reduction of both adiabatic and non-adiabatic losses. The dissipation primarily depends on the resistance of the charging path, which consists of a single p-channel MOSFET during the recovery phase. In this paper, a new logic family called Improved PFAL (IPFAL is proposed, where all n- and pchannel devices are swapped so that the charge can be recovered through an n-channel MOSFET. This allows to decrease the resistance of the charging path up to a factor of 2, and it enables a significant reduction of the energy dissipation. Simulations based on a 0.13µm CMOS process confirm the improvements in terms of power consumption over a large frequency range. However, the same simple design rule, which enables in PFAL an additional reduction of the dissipation by optimal transistor sizing, does not apply to IPFAL. Therefore, the influence of several sources of dissipation for a generic IPFAL gate is illustrated and discussed, in order to lower the power consumption and achieve better performance.

  6. Recent adiabaticity results from orbit calculations

    International Nuclear Information System (INIS)

    There has been much activity recently in an attempt to find a straightforward method of predicting the limits of adiabatic behavior in high-beta magnetic-mirror configurations. The particle-orbit code TIBRO was used to obtain numerical results on nonadiabatic behavior with which the predictions of theoretical expressions can be compared. These results are summarized. (MOW)

  7. Chemical analysis of surfaces by resonance ionization mass spectroscopy associated to ionic pulverization; Analyse chimique de surfaces par spectrometrie d`ionisation resonante associee a la pulverisation ionique

    Energy Technology Data Exchange (ETDEWEB)

    Kern, P.

    1995-12-19

    This work shows that if resonance ionization mass spectroscopy was first applied in isotopic separation, it`s also an analyzing method adapted to the study of semi-conductor materials and thin foils. We have improved this technic: a neodymium laser coupled with a dye laser, a new argon ions gun, a gallium ions gun and a new collection optic for the secondary ions quadrupole spectrometer to allow quantitative and selective measurements. (S.G.). 84 refs.

  8. Surface and buildup region dose measurements with Markus parallel-plate ionization chamber, Gafchromic EBT3 film and MOSFET detector for high energy photon beams

    CERN Document Server

    Akbas, Ugur; Koksal, Canan; Bilge, Hatice

    2016-01-01

    The aim of the study was to investigate surface and buildup region doses for 6 MV photon beams using a Markus parallel-plate ionization chamber, GafChromic EBT3 film and MOSFET detector for different field sizes and beam angles. The measurements were made in a water equivalent solid phantom at the surface and in the buildup region of the 6 MV photon beams at 100 cm source-detector distance (SDD) for 5x5, 10x10 and 20x20 cm2 field sizes and 0, 30, 60, 80 and 90 beam angles. The surface doses for 10x10 cm2 field size were found to be 20.33%, 18.80% and 25.48% for Markus chamber, EBT3 film and MOSFET detector, respectively. The surface dose increased with field size for all dosimeters. As the angle of the incident radiation beam became more oblique, the surface dose increased. The effective measurement depths of dosimeters vary, thus the results of the measurements could be different. This issue can lead to mistakes at surface and buildup dosimetry, and must be taken into account.

  9. Influence of the Stark-effect on the orientation of Rydberg-states in highly ionized nitrogen after ion beam surface interaction at grazing incidence

    Energy Technology Data Exchange (ETDEWEB)

    Zimny, R.; Winter, H.; Becker, B.; Schirmacher, A.; Andrae, H.J. (Muenster Univ. (Germany, F.R.). Inst. fuer Kernphysik)

    1984-03-01

    The orientation in the angular momentum distribution of highly ionized N-atoms after the interaction of N-ions with energies up to 15 MeV with a polycrystalline Cu-surface at grazing incidence is investigated by the circular polarization fraction S/I in fluorescent light. In Rydberg-states of N V, N VI and N VII a dramatic variation of this orientation with respect to the ion-energy and the angle of incidence is observed. We interpret the data in terms of a modification of the collision induced orientation via the Stark-effect in the electric field in the vicinity of the surface caused by the image charge potential of the receding ion.

  10. Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics

    Science.gov (United States)

    Albert, Julian; Kaiser, Dustin; Engel, Volker

    2016-05-01

    Using a model for coupled electronic-nuclear motion we investigate the range from negligible to strong non-adiabatic coupling. In the adiabatic case, the quantum dynamics proceeds in a single electronic state, whereas for strong coupling a complete transition between two adiabatic electronic states takes place. It is shown that in all coupling regimes the short-time wave-packet dynamics can be described using ensembles of classical trajectories in the phase space spanned by electronic and nuclear degrees of freedom. We thus provide an example which documents that the quantum concept of non-adiabatic transitions is not necessarily needed if electronic and nuclear motion is treated on the same footing.

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

    Science.gov (United States)

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

    2016-05-01

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

  12. The dynamic instability of adiabatic blast waves

    Science.gov (United States)

    Ryu, Dongsu; Vishniac, Ethan T.

    1991-01-01

    Adiabatic blastwaves, which have a total energy injected from the center E varies as t(sup q) and propagate through a preshock medium with a density rho(sub E) varies as r(sup -omega) are described by a family of similarity solutions. Previous work has shown that adiabatic blastwaves with increasing or constant postshock entropy behind the shock front are susceptible to an oscillatory instability, caused by the difference between the nature of the forces on the two sides of the dense shell behind the shock front. This instability sets in if the dense postshock layer is sufficiently thin. The stability of adiabatic blastwaves with a decreasing postshock entropy is considered. Such blastwaves, if they are decelerating, always have a region behind the shock front which is subject to convection. Some accelerating blastwaves also have such region, depending on the values of q, omega, and gamma where gamma is the adiabatic index. However, since the shock interface stabilizes dynamically induced perturbations, blastwaves become convectively unstable only if the convective zone is localized around the origin or a contact discontinuity far from the shock front. On the other hand, the contact discontinuity of accelerating blastwaves is subject to a strong Rayleigh-Taylor instability. The frequency spectra of the nonradial, normal modes of adiabatic blastwaves have been calculated. The results have been applied to the shocks propagating through supernovae envelopes. It is shown that the metal/He and He/H interfaces are strongly unstable against the Rayleigh-Taylor instability. This instability will induce mixing in supernovae envelopes. In addition the implications of this work for the evolution of planetary nebulae is discussed.

  13. Perturbation to Mei symmetry and adiabatic invariants for Hamilton systems

    Institute of Scientific and Technical Information of China (English)

    Ding Ning; Fang Jian-Hui

    2008-01-01

    Based on the concept of adiabatic invariant,this paper studies the perturbation to Mei symmetry and adiabatic invariants for Hamilton systems.The exact invaxiants of Mei symmetry for the system without perturbation are given.The perturbation to Mei symmetry is discussed and the adiabatic invariants induced from the perturbation to Mei symmetry of the system are obtained.

  14. "Magic" Ionization Mass Spectrometry.

    Science.gov (United States)

    Trimpin, Sarah

    2016-01-01

    The systematic study of the temperature and pressure dependence of matrix-assisted ionization (MAI) led us to the discovery of the seemingly impossible, initially explained by some reviewers as either sleight of hand or the misinterpretation by an overzealous young scientist of results reported many years before and having little utility. The “magic” that we were attempting to report was that with matrix assistance, molecules, at least as large as bovine serum albumin (66 kDa), are lifted into the gas phase as multiply charged ions simply by exposure of the matrix:analyte sample to the vacuum of a mass spectrometer. Applied heat, a laser, or voltages are not necessary to achieve charge states and ion abundances only previously observed with electrospray ionization (ESI). The fundamentals of how solid phase volatile or nonvolatile compounds are converted to gas-phase ions without added energy currently involves speculation providing a great opportunity to rethink mechanistic understanding of ionization processes used in mass spectrometry. Improved understanding of the mechanism(s) of these processes and their connection to ESI and matrix-assisted laser desorption/ionization may provide opportunities to further develop new ionization strategies for traditional and yet unforeseen applications of mass spectrometry. This Critical Insights article covers developments leading to the discovery of a seemingly magic ionization process that is simple to use, fast, sensitive, robust, and can be directly applied to surface characterization using portable or high performance mass spectrometers. PMID:26486514

  15. "Magic" Ionization Mass Spectrometry

    Science.gov (United States)

    Trimpin, Sarah

    2016-01-01

    The systematic study of the temperature and pressure dependence of matrix-assisted ionization (MAI) led us to the discovery of the seemingly impossible, initially explained by some reviewers as either sleight of hand or the misinterpretation by an overzealous young scientist of results reported many years before and having little utility. The "magic" that we were attempting to report was that with matrix assistance, molecules, at least as large as bovine serum albumin (66 kDa), are lifted into the gas phase as multiply charged ions simply by exposure of the matrix:analyte sample to the vacuum of a mass spectrometer. Applied heat, a laser, or voltages are not necessary to achieve charge states and ion abundances only previously observed with electrospray ionization (ESI). The fundamentals of how solid phase volatile or nonvolatile compounds are converted to gas-phase ions without added energy currently involves speculation providing a great opportunity to rethink mechanistic understanding of ionization processes used in mass spectrometry. Improved understanding of the mechanism(s) of these processes and their connection to ESI and matrix-assisted laser desorption/ionization may provide opportunities to further develop new ionization strategies for traditional and yet unforeseen applications of mass spectrometry. This Critical Insights article covers developments leading to the discovery of a seemingly magic ionization process that is simple to use, fast, sensitive, robust, and can be directly applied to surface characterization using portable or high performance mass spectrometers.

  16. Ambient ionization mass spectrometry: A tutorial

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Min-Zong; Cheng, Sy-Chi; Cho, Yi-Tzu [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan (China); Shiea, Jentaie, E-mail: jetea@fac.nsysu.edu.tw [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan (China); Cancer Center, Kaohsiung Medical University, Kaohsiung, Taiwan (China)

    2011-09-19

    Highlights: {yields} Ambient ionization technique allows the direct analysis of sample surfaces with little or no sample pretreatment. {yields} We sort ambient ionization techniques into three main analytical strategies, direct ionization, direct desorption/ionization, and two-step ionization. {yields} The underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques are described and compared. - Abstract: Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.

  17. Matrix assisted ionization: new aromatic and nonaromatic matrix compounds producing multiply charged lipid, peptide, and protein ions in the positive and negative mode observed directly from surfaces.

    Science.gov (United States)

    Li, Jing; Inutan, Ellen D; Wang, Beixi; Lietz, Christopher B; Green, Daniel R; Manly, Cory D; Richards, Alicia L; Marshall, Darrell D; Lingenfelter, Steven; Ren, Yue; Trimpin, Sarah

    2012-10-01

    Matrix assisted inlet ionization (MAII) is a method in which a matrix:analyte mixture produces mass spectra nearly identical to electrospray ionization without the application of a voltage or the use of a laser as is required in laserspray ionization (LSI), a subset of MAII. In MAII, the sample is introduced by, for example, tapping particles of dried matrix:analyte into the inlet of the mass spectrometer and, therefore, permits the study of conditions pertinent to the formation of multiply charged ions without the need of absorption at a laser wavelength. Crucial for the production of highly charged ions are desolvation conditions to remove matrix molecules from charged matrix:analyte clusters. Important factors affecting desolvation include heat, vacuum, collisions with gases and surfaces, and even radio frequency fields. Other parameters affecting multiply charged ion production is sample preparation, including pH and solvent composition. Here, findings from over 100 compounds found to produce multiply charged analyte ions using MAII with the inlet tube set at 450 °C are presented. Of the compounds tested, many have -OH or -NH(2) functionality, but several have neither (e.g., anthracene), nor aromaticity or conjugation. Binary matrices are shown to be applicable for LSI and solvent-free sample preparation can be applied to solubility restricted compounds, and matrix compounds too volatile to allow drying from common solvents. Our findings suggest that the physical properties of the matrix such as its morphology after evaporation of the solvent, its propensity to evaporate/sublime, and its acidity are more important than its structure and functional groups.

  18. Plasmonic black gold by adiabatic nanofocusing and absorption of light in ultra-sharp convex grooves

    DEFF Research Database (Denmark)

    Søndergaard, Thomas; Novikov, Sergey M.; Stær, Tobias Holmgaard;

    2012-01-01

    -defined geometry by using ultra-sharp convex metal grooves via adiabatic nanofocusing of gap surface plasmon modes excited by scattering off subwavelength-sized wedges. We demonstrate experimentally that two-dimensional arrays of sharp convex grooves in gold ensure efficient (>87%) broadband (450-850 nm...

  19. Wave front adaptation using a deformable mirror for adiabatic nanofocusing along an ultrasharp gold taper.

    Science.gov (United States)

    Schmidt, Slawa; Engelke, Pascal; Piglosiewicz, Björn; Esmann, Martin; Becker, Simon F; Yoo, Kyungwan; Park, Namkyoo; Lienau, Christoph; Groß, Petra

    2013-11-01

    We describe and demonstrate the use of an adaptive wave front optimization scheme for enhancing the efficiency of adiabatic nanofocusing of surface plasmon polariton (SPP) waves along an ultrasharp conical gold taper. Adiabatic nanofocusing is an emerging and promising scheme for controlled focusing of far field light into nanometric volumes. It comprises three essential steps: SPP excitation by coupling far field light to an SPP waveguide, SPP propagation along the waveguide and adiabatic SPP nanofocusing towards a geometric singularity. For commonly used complex waveguide geometries, such as, e.g., conical metal tapers, a realistic modeling and efficiency optimization is challenging. Here, we use a deformable mirror to adaptively control the wave front of the incident far field light. We demonstrate an eight-fold enhancement in nanofocusing efficiency and analyze the shape of the resulting optimized wave front. The introduced wave front optimization scheme is of general interest for guiding and controlling light on the nanoscale.

  20. Wave front adaptation using a deformable mirror for adiabatic nanofocusing along an ultrasharp gold taper

    CERN Document Server

    Schmidt, Slawa; Piglosiewicz, Bjoern; Esmann, Martin; Becker, Simon F; Yoo, Kyungwan; Park, Namkyoo; Lienau, Christoph; Gross, Petra

    2013-01-01

    We describe and demonstrate the use of an adaptive wave front optimization scheme for enhancing the efficiency of adiabatic nanofocusing of surface plasmon polariton (SPP) waves along an ultrasharp conical gold taper. Adiabatic nanofocusing is an emerging and promising scheme for controlled focusing of far field light into nanometric volumes. It comprises three essential steps: SPP excitation by coupling far field light to an SPP waveguide, SPP propagation along the waveguide and adiabatic SPP nanofocusing towards a geometric singularity. For commonly used complex waveguide geometries, such as, e.g., conical metal tapers, a realistic modeling and efficiency optimization is challenging. Here, we use a deformable mirror to adaptively control the wave front of the incident far field light. We demonstrate an eight-fold enhancement in nanofocusing efficiency and analyze the shape of the resulting optimized wave front. The introduced wave front optimization scheme is of general interest for guiding and controlling ...

  1. Surface and Buildup Region Dose Measurements with Markus Parallel-Plate Ionization Chamber, GafChromic EBT3 Film, and MOSFET Detector for High-Energy Photon Beams

    Directory of Open Access Journals (Sweden)

    Ugur Akbas

    2016-01-01

    Full Text Available The aim of the study was to investigate surface and buildup region doses for 6 MV and 15 MV photon beams using a Markus parallel-plate ionization chamber, GafChromic EBT3 film, and MOSFET detector for different field sizes and beam angles. The measurements were made in a water equivalent solid phantom at the surface and in the buildup region of the 6 MV and 15 MV photon beams at 100 cm source-detector distance for 5 × 5, 10 × 10, and 20 × 20 cm2 field sizes and 0°, 30°, 60°, and 80° beam angles. The surface doses using 6 MV photon beams for 10 × 10 cm2 field size were found to be 20.3%, 18.8%, and 25.5% for Markus chamber, EBT3 film, and MOSFET detector, respectively. The surface doses using 15 MV photon beams for 10 × 10 cm2 field size were found to be 14.9%, 13.4%, and 16.4% for Markus chamber, EBT3 film, and MOSFET detector, respectively. The surface dose increased with field size for all dosimeters. As the angle of the incident radiation beam became more oblique, the surface dose increased. The effective measurement depths of dosimeters vary; thus, the results of the measurements could be different. This issue can lead to mistakes at surface and buildup dosimetry and must be taken into account.

  2. Adiabatic quantum simulation of quantum chemistry.

    Science.gov (United States)

    Babbush, Ryan; Love, Peter J; Aspuru-Guzik, Alán

    2014-10-13

    We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-body qubit Hamiltonians with a small set of physically realizable couplings. By combining the Bravyi-Kitaev construction to map fermions to qubits with perturbative gadgets to reduce the Hamiltonian to 2-body, we obtain precision requirements on the coupling strengths and a number of ancilla qubits that scale polynomially in the problem size. Hence our mapping is efficient. The required set of controllable interactions includes only two types of interaction beyond the Ising interactions required to apply the quantum adiabatic algorithm to combinatorial optimization problems. Our mapping may also be of interest to chemists directly as it defines a dictionary from electronic structure to spin Hamiltonians with physical interactions.

  3. Adiabatic state preparation study of methylene

    Energy Technology Data Exchange (ETDEWEB)

    Veis, Libor, E-mail: libor.veis@jh-inst.cas.cz; Pittner, Jiří, E-mail: jiri.pittner@jh-inst.cas.cz [J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 18223 Prague 8 (Czech Republic)

    2014-06-07

    Quantum computers attract much attention as they promise to outperform their classical counterparts in solving certain type of problems. One of them with practical applications in quantum chemistry is simulation of complex quantum systems. An essential ingredient of efficient quantum simulation algorithms are initial guesses of the exact wave functions with high enough fidelity. As was proposed in Aspuru-Guzik et al. [Science 309, 1704 (2005)], the exact ground states can in principle be prepared by the adiabatic state preparation method. Here, we apply this approach to preparation of the lowest lying multireference singlet electronic state of methylene and numerically investigate preparation of this state at different molecular geometries. We then propose modifications that lead to speeding up the preparation process. Finally, we decompose the minimal adiabatic state preparation employing the direct mapping in terms of two-qubit interactions.

  4. Adiabatic Quantum Optimization for Associative Memory Recall

    Directory of Open Access Journals (Sweden)

    Hadayat eSeddiqi

    2014-12-01

    Full Text Available Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO. Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.

  5. Quantum adiabatic evolution with energy degeneracy levels

    Science.gov (United States)

    Zhang, Qi

    2016-01-01

    A classical-kind phase-space formalism is developed to address the tiny intrinsic dynamical deviation from what is predicted by Wilczek-Zee theorem during quantum adiabatic evolution on degeneracy levels. In this formalism, the Hilbert space and the aggregate of degenerate eigenstates become the classical-kind phase space and a high-dimensional subspace in the phase space, respectively. Compared with the previous analogous study by a different method, the current result is qualitatively different in that the first-order deviation derived here is always perpendicular to the degeneracy subspace. A tripod-scheme Hamiltonian with two degenerate dark states is employed to illustrate the adiabatic deviation with degeneracy levels.

  6. Ramsey numbers and adiabatic quantum computing.

    Science.gov (United States)

    Gaitan, Frank; Clark, Lane

    2012-01-01

    The graph-theoretic Ramsey numbers are notoriously difficult to calculate. In fact, for the two-color Ramsey numbers R(m,n) with m, n≥3, only nine are currently known. We present a quantum algorithm for the computation of the Ramsey numbers R(m,n). We show how the computation of R(m,n) can be mapped to a combinatorial optimization problem whose solution can be found using adiabatic quantum evolution. We numerically simulate this adiabatic quantum algorithm and show that it correctly determines the Ramsey numbers R(3,3) and R(2,s) for 5≤s≤7. We then discuss the algorithm's experimental implementation, and close by showing that Ramsey number computation belongs to the quantum complexity class quantum Merlin Arthur.

  7. Inkjet-printed gold nanoparticle surfaces for the detection of low molecular weight biomolecules by laser desorption/ionization mass spectrometry.

    Science.gov (United States)

    Marsico, Alyssa L M; Creran, Brian; Duncan, Bradley; Elci, S Gokhan; Jiang, Ying; Onasch, Timothy B; Wormhoudt, Joda; Rotello, Vincent M; Vachet, Richard W

    2015-11-01

    Effective detection of low molecular weight compounds in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS) is often hindered by matrix interferences in the low m/z region of the mass spectrum. Here, we show that monolayer-protected gold nanoparticles (AuNPs) can serve as alternate matrices for the very sensitive detection of low molecular weight compounds such as amino acids. Amino acids can be detected at low fmol levels with minimal interferences by properly choosing the AuNP deposition method, density, size, and monolayer surface chemistry. By inkjet-printing AuNPs at various densities, we find that AuNP clusters are essential for obtaining the greatest sensitivity. Graphical Abstract ᅟ.

  8. Adiabatic graph-state quantum computation

    International Nuclear Information System (INIS)

    Measurement-based quantum computation (MBQC) and holonomic quantum computation (HQC) are two very different computational methods. The computation in MBQC is driven by adaptive measurements executed in a particular order on a large entangled state. In contrast in HQC the system starts in the ground subspace of a Hamiltonian which is slowly changed such that a transformation occurs within the subspace. Following the approach of Bacon and Flammia, we show that any MBQC on a graph state with generalized flow (gflow) can be converted into an adiabatically driven holonomic computation, which we call adiabatic graph-state quantum computation (AGQC). We then investigate how properties of AGQC relate to the properties of MBQC, such as computational depth. We identify a trade-off that can be made between the number of adiabatic steps in AGQC and the norm of H-dot as well as the degree of H, in analogy to the trade-off between the number of measurements and classical post-processing seen in MBQC. Finally the effects of performing AGQC with orderings that differ from standard MBQC are investigated. (paper)

  9. Stimulated Raman Adiabatic Passage for Improved Performance of a Cold Atom Electron and Ion Source

    CERN Document Server

    Sparkes, B M; Taylor, R J; Spiers, R W; McCulloch, A J; Scholten, R E

    2016-01-01

    We experimentally implement high-efficiency coherent excitation to a Rydberg state using stimulated Raman adiabatic passage in a cold atom electron and ion source, leading to a peak efficiency of 85%, a 1.7 times improvement in excitation probability relative to incoherent pulsed-laser excitation. Using streak measurements and pulsed electric field ionization of the Rydberg atoms we demonstrate electron bunches with duration of 250 ps. High-efficiency excitation will increase source brightness, crucial for ultrafast electron diffraction experiments, while using coherent excitation to high-lying Rydberg states could allow for the reduction of internal bunch heating and the creation of a high-speed single ion source.

  10. Determination of pharmaceutical compounds in surface- and ground-water samples by solid-phase extraction and high-performance liquid chromatography-electrospray ionization mass spectrometry

    Science.gov (United States)

    Cahill, J.D.; Furlong, E.T.; Burkhardt, M.R.; Kolpin, D.; Anderson, L.G.

    2004-01-01

    Commonly used prescription and over-the-counter pharmaceuticals are possibly present in surface- and ground-water samples at ambient concentrations less than 1 μg/L. In this report, the performance characteristics of a combined solid-phase extraction isolation and high-performance liquid chromatography–electrospray ionization mass spectrometry (HPLC–ESI-MS) analytical procedure for routine determination of the presence and concentration of human-health pharmaceuticals are described. This method was developed and used in a recent national reconnaissance of pharmaceuticals in USA surface waters. The selection of pharmaceuticals evaluated for this method was based on usage estimates, resulting in a method that contains compounds from diverse chemical classes, which presents challenges and compromises when applied as a single routine analysis. The method performed well for the majority of the 22 pharmaceuticals evaluated, with recoveries greater than 60% for 12 pharmaceuticals. The recoveries of angiotensin-converting enzyme inhibitors, a histamine (H2) receptor antagonist, and antihypoglycemic compound classes were less than 50%, but were retained in the method to provide information describing the potential presence of these compounds in environmental samples and to indicate evidence of possible matrix enhancing effects. Long-term recoveries, evaluated from reagent-water fortifications processed over 2 years, were similar to initial method performance. Method detection limits averaged 0.022 μg/L, sufficient for expected ambient concentrations. Compound-dependent matrix effects on HPLC/ESI-MS analysis, including enhancement and suppression of ionization, were observed as a 20–30% increase in measured concentrations for three compounds and greater than 50% increase for two compounds. Changing internal standard and more frequent ESI source maintenance minimized matrix effects. Application of the method in the national survey demonstrates that several

  11. Ionizing radiations

    International Nuclear Information System (INIS)

    The purpose of this article is to simplify some of the relevant points of legislation, biological effects and protection for the benefit of the occupational health nurse not familiar with the nuclear industries. The subject is dealt with under the following headings; Understanding atoms. What is meant by ionizing radiation. Types of ionizing radiation. Effects of radiation: long and short term somatic effects, genetic effects. Control of radiation: occupational exposure, women of reproductive age, medical aspects, principles of control. The occupational health nurse's role. Emergency arrangements: national arrangements for incidents involving radiation, action to be taken by the nurse. Decontamination procedures: external and internal contamination. (U.K.)

  12. III. Penning ionization, associative ionization and chemi-ionization processes

    International Nuclear Information System (INIS)

    Physical mechanisms of three important ionization processes in a cold plasma and the methods of their experimental study are discussed. An apparatus for the investigation of the Penning ionization using ionization processes of long lived metastable rare gas atoms is described. Methods of determining interaction energies and ionization rates from the measured energy spectra of the originating electrons are described and illustrated by several examples. Typical associative ionization processes are listed and the ionization rates are compared with those of the Penning ionization. Interactions with short-lived excited particles and the transfer of excitation without ionization are discussed. (J.U.)

  13. Ionization of atoms by slow heavy particles

    CERN Document Server

    Roberts, B M; Gribakin, G F

    2016-01-01

    Atoms and molecules can become ionized during the scattering of a slow, heavy particle off a bound electron. Such an interaction involving leptophilic weakly interacting massive particles (WIMPs) is a promising possible explanation for the anomalous 9 sigma annual modulation in the DAMA dark matter direct detection experiment [R. Bernabei et al., Eur. Phys. J. C 73, 2648 (2013)]. We demonstrate the applicability of the Born approximation for such an interaction by showing its equivalence to the semiclassical adiabatic treatment of atomic ionization by slow-moving WIMPs. Conventional wisdom has it that the ionization probability for such a process should be exponentially small. We show, however, that due to nonanalytic, cusp-like behaviour of Coulomb functions close to the nucleus this suppression is removed, leading to an effective atomic structure enhancement. We also show that electron relativistic effects actually give the dominant contribution to such a process, meaning that nonrelativistic calculations m...

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

    Science.gov (United States)

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

    2016-11-01

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

  15. Timescales for adiabatic photodissociation dynamics from the {tilde A} state of ammonia

    Science.gov (United States)

    Chatterley, Adam S.; Roberts, Gareth M.; Stavros, Vasilios G.

    2013-07-01

    Photodissociation dynamics after excitation of the {tilde A} state ν'2 = 4 (umbrella) level of ammonia are investigated using ultrafast time-resolved velocity map ion imaging (TR-VMI). These studies extend upon previous TR-VMI measurements [K. L. Wells, G. Perriam, and V. G. Stavros, J. Chem. Phys. 130, 074308 (2009)], 10.1063/1.3072763, which reported the appearance timescales for ground state NH_2 {(tilde X)} + H photoproducts, born from non-adiabatic passage through an {tilde X/tilde A} state conical intersection (CI) at elongated H-NH2 bond distances. In particular, the present work sheds new light on the formation timescales for electronically excited NH_2 {(tilde A)} + H species, generated from NH3 parent molecules that avoid the CI and dissociate adiabatically. The results reveal a step-wise dynamical picture for the production of NH_2 {(tilde A)} + H products, where nascent dissociative flux can become temporarily trapped/impeded around the upper cone of the CI on the {tilde A} state potential energy surface (PES), while on course towards the adiabatic dissociation asymptote - this behavior contrasts the concerted mechanism previously observed for non-adiabatic dissociation into H-atoms associated with ro-vibrationally "cold" NH_2 {(tilde X)}. Initially, non-planar NH3 molecules (species which have the capacity to yield adiabatic photoproducts) are found to evolve out of the vertical Franck-Condon excitation region and towards the CI region of the {tilde A} state PES with a time-constant of 113 ± 46 fs. Subsequently, transient population encircling the CI then progresses to finally form NH_2 {(tilde A)} + H photoproducts from the CI region of the tildeA state PES with a slower time-constant of 415 ± 25 fs. Non-adiabatic dissociation into ro-vibrationally "hot" NH_2 {(tilde X)} radicals together with H-atoms is also evidenced to occur via a qualitatively similar process.

  16. Timescales for adiabatic photodissociation dynamics from the à state of ammonia.

    Science.gov (United States)

    Chatterley, Adam S; Roberts, Gareth M; Stavros, Vasilios G

    2013-07-21

    Photodissociation dynamics after excitation of the à state ν'2 = 4 (umbrella) level of ammonia are investigated using ultrafast time-resolved velocity map ion imaging (TR-VMI). These studies extend upon previous TR-VMI measurements [K. L. Wells, G. Perriam, and V. G. Stavros, J. Chem. Phys. 130, 074308 (2009)], which reported the appearance timescales for ground state NH2(X̃)+H photoproducts, born from non-adiabatic passage through an X̃/à state conical intersection (CI) at elongated H-NH2 bond distances. In particular, the present work sheds new light on the formation timescales for electronically excited NH2(Ã)+H species, generated from NH3 parent molecules that avoid the CI and dissociate adiabatically. The results reveal a step-wise dynamical picture for the production of NH2(Ã)+H products, where nascent dissociative flux can become temporarily trapped∕impeded around the upper cone of the CI on the à state potential energy surface (PES), while on course towards the adiabatic dissociation asymptote - this behavior contrasts the concerted mechanism previously observed for non-adiabatic dissociation into H-atoms associated with ro-vibrationally "cold" NH2(X̃). Initially, non-planar NH3 molecules (species which have the capacity to yield adiabatic photoproducts) are found to evolve out of the vertical Franck-Condon excitation region and towards the CI region of the à state PES with a time-constant of 113 ± 46 fs. Subsequently, transient population encircling the CI then progresses to finally form NH2(Ã)+H photoproducts from the CI region of the à state PES with a slower time-constant of 415 ± 25 fs. Non-adiabatic dissociation into ro-vibrationally "hot" NH2(X̃) radicals together with H-atoms is also evidenced to occur via a qualitatively similar process. PMID:23883038

  17. Rotation-vibrational states of H3+ and the adiabatic approximation.

    Science.gov (United States)

    Alijah, Alexander; Hinze, Juergen

    2006-11-15

    We discuss recent progress in the calculation and identification of rotation-vibrational states of H3+ at intermediate energies up to 13,000 cm(-1). Our calculations are based on the potential energy surface of Cencek et al. which is of sub-microhartree accuracy. As this surface includes diagonal adiabatic and relativistic corrections to the fixed nuclei electronic energies, the remaining discrepancies between our calculated and experimental data should be due to the neglect of non-adiabatic coupling to excited electronic states in the calculations. To account for this, our calculated energy values were adjusted empirically by a simple correction formula. Based on our understanding of the adiabatic approximation, we suggest two new approaches to account for the off-diagonal adiabatic correction, which should work; however, they have not been tested yet for H3+. Theoretical predictions made for the above-barrier energy region of recent experimental interest are accurate to 0.35 cm(-1) or better. PMID:17015396

  18. Investigation of tissue inhibitor of metalloproteinases 1 in plasma from colorectal cancer patients and blood donors by surface-enhanced laser desorption/ionization time-of-flight mass spectrometryscopy

    DEFF Research Database (Denmark)

    CASPERSEN, M. B.; Sørensen, N. M.; Iversen, P;

    2007-01-01

    in plasma, surface-enhanced laser desorption/ionization time-of-flight mass spectrometry (SELDI TOF MS) was used. TIMP-1 measurements of plasma from 16 healthy donors and 14 CRC patients were performed using TIMP-1 monoclonal antibody in SELDI TOF MS and ELISA. SELDI TOF MS applying an antibody to TIMP-1...

  19. Characterization of foot- and mouth disease virus antigen by surface-enhanced laser desorption ionization-time of flight-mass spectrometry in aqueous and oil-emulsion formulations

    NARCIS (Netherlands)

    Harmsen, M.M.; Jansen, J.; Westra, D.F.; Coco-Martin, J.M.

    2010-01-01

    We have used a novel method, surface-enhanced laser desorption ionization-time of flight-mass spectrometry (SELDI-TOF-MS), to characterize foot-and-mouth disease virus (FMDV) vaccine antigens. Using specific capture with FMDV binding recombinant antibody fragments and tryptic digestion of FMDV antig

  20. Adiabatic Regularization for Gauge Field and the Conformal Anomaly

    CERN Document Server

    Chu, Chong-Sun

    2016-01-01

    We construct and provide the adiabatic regularization method for a $U(1)$ gauge field in a conformally flat spacetime by quantizing in the canonical formalism the gauge fixed $U(1)$ theory with mass terms for the gauge fields and the ghost fields. We show that the adiabatic expansion for the mode functions and the adiabatic vacuum can be defined in a similar way using WKB-type solutions as the scalar fields. As an application of the adiabatic method, we compute the trace of the energy momentum tensor and reproduces the known result for the conformal anomaly obtained by the other regularization methods. The availability of the adiabatic expansion scheme for gauge field allows one to study the renormalization of the de-Sitter space maximal superconformal Yang-Mills theory using the adiabatic regularization method.

  1. Accuracy vs run time in adiabatic quantum search

    CERN Document Server

    Rezakhani, A T; Lidar, D A

    2010-01-01

    Adiabatic quantum algorithms are characterized by their run time and accuracy. The relation between the two is essential for quantifying adiabatic algorithmic performance, yet is often poorly understood. We study the dynamics of a continuous time, adiabatic quantum search algorithm, and find rigorous results relating the accuracy and the run time. Proceeding with estimates, we show that under fairly general circumstances the adiabatic algorithmic error exhibits a behavior with two discernible regimes: the error decreases exponentially for short times, then decreases polynomially for longer times. We show that the well known quadratic speedup over classical search is associated only with the exponential error regime. We illustrate the results through examples of evolution paths derived by minimization of the adiabatic error. We also discuss specific strategies for controlling the adiabatic error and run time.

  2. Adiabatic quantum algorithm for search engine ranking

    CERN Document Server

    Garnerone, Silvano; Lidar, Daniel A

    2011-01-01

    We propose an adiabatic quantum algorithm to evaluate the PageRank vector, the most widely used tool in ranking the relative importance of internet pages. We present extensive numerical simulations which provide evidence that this quantum algorithm outputs any component of the PageRank vector-and thus the ranking of the corresponding webpage-in a time which scales polylogarithmically in the number of webpages. This would constitute an exponential speed-up with respect to all known classical algorithms designed to evaluate the PageRank.

  3. On adiabatic perturbations in the ekpyrotic scenario

    Science.gov (United States)

    Linde, A.; Mukhanov, V.; Vikman, A.

    2010-02-01

    In a recent paper, Khoury and Steinhardt proposed a way to generate adiabatic cosmological perturbations with a nearly flat spectrum in a contracting Universe. To produce these perturbations they used a regime in which the equation of state exponentially rapidly changed during a short time interval. Leaving aside the singularity problem and the difficult question about the possibility to transmit these perturbations from a contracting Universe to the expanding phase, we will show that the methods used in Khoury are inapplicable for the description of the cosmological evolution and of the process of generation of perturbations in this scenario.

  4. On adiabatic perturbations in the ekpyrotic scenario

    CERN Document Server

    Linde, A; Vikman, A

    2009-01-01

    In a recent paper arXiv:0910.2230, Khoury and Steinhardt proposed a way to generate adiabatic cosmological perturbations with a nearly flat spectrum in a contracting Universe. To produce these perturbations they used a regime in which the equation of state exponentially rapidly changed during a short time interval. Leaving aside the singularity problem and the difficult question about the possibility to transmit these perturbations from a contracting Universe to the expanding phase, we will show that the methods used in arXiv:0910.2230 are inapplicable for the description of the cosmological evolution and of the process of generation of perturbations in this scenario.

  5. Adiabatic chaos in the spin orbit problem

    Science.gov (United States)

    Benettin, Giancarlo; Guzzo, Massimiliano; Marini, Valerio

    2008-05-01

    We provide evidences that the angular momentum of a symmetric rigid body in a spin orbit resonance can perform large scale chaotic motions on time scales which increase polynomially with the inverse of the oblateness of the body. This kind of irregular precession appears as soon as the orbit of the center of mass is non-circular and the angular momentum of the body is far from the principal directions with minimum (maximum) moment of inertia. We also provide a quantitative explanation of these facts by using the theory of adiabatic invariants, and we provide numerical applications to the cases of the 1:1 and 1:2 spin orbit resonances.

  6. Hypergraph Ramsey Numbers and Adiabatic Quantum Algorithm

    OpenAIRE

    Qu, Ri; Bao, Yan-ru

    2012-01-01

    Gaitan and Clark [Phys. Rev. Lett. 108, 010501 (2012)] have recently presented a quantum algorithm for the computation of the Ramsey numbers R(m, n) using adiabatic quantum evolution. We consider that the two-color Ramsey numbers R(m, n; r) for r-uniform hypergraphs can be computed by using the similar ways in [Phys. Rev. Lett. 108, 010501 (2012)]. In this comment, we show how the computation of R(m, n; r) can be mapped to a combinatorial optimization problem whose solution be found using adi...

  7. Generalized Ramsey numbers through adiabatic quantum optimization

    Science.gov (United States)

    Ranjbar, Mani; Macready, William G.; Clark, Lane; Gaitan, Frank

    2016-09-01

    Ramsey theory is an active research area in combinatorics whose central theme is the emergence of order in large disordered structures, with Ramsey numbers marking the threshold at which this order first appears. For generalized Ramsey numbers r( G, H), the emergent order is characterized by graphs G and H. In this paper we: (i) present a quantum algorithm for computing generalized Ramsey numbers by reformulating the computation as a combinatorial optimization problem which is solved using adiabatic quantum optimization; and (ii) determine the Ramsey numbers r({{T}}m,{{T}}n) for trees of order m,n = 6,7,8, most of which were previously unknown.

  8. Dark Energy and Dark Matter from an additional adiabatic fluid

    OpenAIRE

    Dunsby, Peter K. S.; Luongo, Orlando; Reverberi, Lorenzo

    2016-01-01

    The Dark Sector is described by an additional barotropic fluid which evolves adiabatically during the universe's history and whose adiabatic exponent $\\gamma$ is derived from the standard definitions of specific heats. Although in general $\\gamma$ is a function of the redshift, the Hubble parameter and its derivatives, we find that our assumptions lead necessarily to solutions with $\\gamma = $ constant in a FLRW universe. The adiabatic fluid acts effectively as the sum of two distinct compone...

  9. A quantum search algorithm based on partial adiabatic evolution

    Institute of Scientific and Technical Information of China (English)

    Zhang Ying-Yu; Hu He-Ping; Lu Song-Feng

    2011-01-01

    This paper presents and implements a specified partial adiabatic search algorithm on a quantum circuit. It studies the minimum energy gap between the first excited state and the ground state of the system Hamiltonian and it finds that, in the case of M=1, the algorithm has the same performance as the local adiabatic algorithm. However, the algorithm evolves globally only within a small interval, which implies that it keeps the advantages of global adiabatic algorithms without losing the speedup of the local adiabatic search algorithm.

  10. Magnesium Diboride Superconducting Coils for Adiabatic Demagnetization Refrigerators (ADR's) Project

    Data.gov (United States)

    National Aeronautics and Space Administration — For Adiabatic Demagnetization Refrigerators (ADRs) in space applications, it is desirable to have very light weight, small diameter, high current density...

  11. Adiabatic cooling of solar wind electrons

    Science.gov (United States)

    Sandbaek, Ornulf; Leer, Egil

    1992-01-01

    In thermally driven winds emanating from regions in the solar corona with base electron densities of n0 not less than 10 exp 8/cu cm, a substantial fraction of the heat conductive flux from the base is transfered into flow energy by the pressure gradient force. The adiabatic cooling of the electrons causes the electron temperature profile to fall off more rapidly than in heat conduction dominated flows. Alfven waves of solar origin, accelerating the basically thermally driven solar wind, lead to an increased mass flux and enhanced adiabatic cooling. The reduction in electron temperature may be significant also in the subsonic region of the flow and lead to a moderate increase of solar wind mass flux with increasing Alfven wave amplitude. In the solar wind model presented here the Alfven wave energy flux per unit mass is larger than that in models where the temperature in the subsonic flow is not reduced by the wave, and consequently the asymptotic flow speed is higher.

  12. Positronium formation and ionization in slow positron-hydrogen atom collisions

    International Nuclear Information System (INIS)

    The electron capture and ionization processes in slow collisions of positrons with hydrogen atoms are considered within the advanced adiabatic approach to atomic collisions. The mass asymmetry of the (p,e-,e+) collision system is properly taken into account. The calculated positronium formation and ionization cross sections compare favourably with the available experimental data in the adiabatic energy region. It is shown that the potential energy curve of the 2p σ molecular state supports a quasi-bound level of the three-particle (p,e+,e-) system with an energy of -0.3 eV and decay width of 0.15 eV, approximately. (author)

  13. Strong Ionization in carbon Nanowires

    CERN Document Server

    Kaymak, Vural; Shlyaptsev, Vyacheslav N; Rocca, Jorge J

    2015-01-01

    Surfaces covered with nanostructures, such as nanowire arrays, have shown to facilitate a significantly higher absorption of laser energy as compared to flat surfaces. Due to the efficient coupling of the laser energy, highly energetic electrons are produced, which in turn can emit intense ultrafast X-ray pulses. In the present work we use full three dimensional PIC simulations to analyze the behavior of arrays of carbon nanowires $400 nm$ in diameter, irradiated by a $\\lambda_0 = 400 nm$ laser pulse of $60 fs$ duration at FWHM and a vector potential of $a_0 = 18$. We analyze the ionization dynamics of the nanowires. We investigate the difference of the ionization strength and structure between linearly and circularly polarized laser beam. The nanowires are found to be fully ionized after about 30 laser cycles. Circularly polarized light reveals a slightly stronger ionization effect.

  14. Plasmas in particle accelerators: adiabatic theories for bunched beams

    International Nuclear Information System (INIS)

    Three different formalisms for discussing Vlasov's equation for bunched beam problems with anharmonic space charge forces are outlined. These correspond to the use of a drift kinetic equation averaged over random betatron motions; a fluidkinetic adiabatic regime analogous to the theory of Chew, Goldberger, and Low; and an adiabatic hydrodynamic theory

  15. High Fidelity Adiabatic Quantum Computation via Dynamical Decoupling

    CERN Document Server

    Quiroz, Gregory

    2012-01-01

    We introduce high-order dynamical decoupling strategies for open system adiabatic quantum computation. Our numerical results demonstrate that a judicious choice of high-order dynamical decoupling method, in conjunction with an encoding which allows computation to proceed alongside decoupling, can dramatically enhance the fidelity of adiabatic quantum computation in spite of decoherence.

  16. Quantum adiabatic algorithm for factorization and its experimental implementation.

    Science.gov (United States)

    Peng, Xinhua; Liao, Zeyang; Xu, Nanyang; Qin, Gan; Zhou, Xianyi; Suter, Dieter; Du, Jiangfeng

    2008-11-28

    We propose an adiabatic quantum algorithm capable of factorizing numbers, using fewer qubits than Shor's algorithm. We implement the algorithm in a NMR quantum information processor and experimentally factorize the number 21. In the range that our classical computer could simulate, the quantum adiabatic algorithm works well, providing evidence that the running time of this algorithm scales polynomially with the problem size. PMID:19113467

  17. Teleportation of an Unknown Atomic State via Adiabatic Passage

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    We propose a scheme for teleporting an unknown atomic state via adiabatic passage. Taking advantage of adiabatic passage, the atom has no probability of being excited and thus the atomic spontaneous emission is suppressed.We also show that the fidelity can reach 1 under certain condition.

  18. Examination of the adiabatic approximation in open systems

    International Nuclear Information System (INIS)

    We examine the notion of the adiabatic approximation in open systems by applying it to closed systems. Our results shows that the notion is equivalent to the standard adiabatic approximation if the systems are initially in eigenstates, and it leads to a more general expression if the systems are in mixed states

  19. Multiplicity features of adiabatic autothermal reactors

    Energy Technology Data Exchange (ETDEWEB)

    Lovo, M.; Balakotaiah, V. (Houston Univ., TX (United States). Dept. of Chemical Engineering)

    1992-01-01

    In this paper singularity theory, large activation energy asymptotic, and numerical methods are used to present a comprehensive study of the steady-state multiplicity features of three classical adiabatic autothermal reactor models: tubular reactor with internal heat exchange, tubular reactor with external heat exchange, and the CSTR with external heat exchange. Specifically, the authors derive the exact uniqueness-multiplicity boundary, determine typical cross-sections of the bifurcation set, and classify the different types of bifurcation diagrams of conversion vs. residence time. Asymptotic (limiting) models are used to determine analytical expressions for the uniqueness boundary and the ignition and extinction points. The analytical results are used to present simple, explicit and accurate expressions defining the boundary of the region of autothermal operation in the physical parameter space.

  20. Conformal Symmetries of Adiabatic Modes in Cosmology

    CERN Document Server

    Hinterbichler, Kurt; Khoury, Justin

    2012-01-01

    We remark on the existence of non-linearly realized conformal symmetries for scalar adiabatic perturbations in cosmology. These conformal symmetries are present for any cosmological background, beyond any slow-roll or quasi-de Sitter approximation. The dilatation transformation shifts the curvature perturbation by a constant, and corresponds to the well-known symmetry under spatial rescaling. We argue that the scalar sector is also invariant under special conformal transformations, which shift the curvature perturbation by a term linear in the spatial coordinates. We discuss whether these conformal symmetries can be extended to include tensor perturbations. Tensor modes introduce their own set of non-linearly realized symmetries. We identify an infinite set of large gauge transformations which maintain the transverse, traceless gauge condition, while shifting the tensor mode non-trivially.

  1. Number Partitioning via Quantum Adiabatic Computation

    Science.gov (United States)

    Smelyanskiy, Vadim N.; Toussaint, Udo; Clancy, Daniel (Technical Monitor)

    2002-01-01

    We study both analytically and numerically the complexity of the adiabatic quantum evolution algorithm applied to random instances of combinatorial optimization problems. We use as an example the NP-complete set partition problem and obtain an asymptotic expression for the minimal gap separating the ground and exited states of a system during the execution of the algorithm. We show that for computationally hard problem instances the size of the minimal gap scales exponentially with the problem size. This result is in qualitative agreement with the direct numerical simulation of the algorithm for small instances of the set partition problem. We describe the statistical properties of the optimization problem that are responsible for the exponential behavior of the algorithm.

  2. Adiabatic Liquid Piston Compressed Air Energy Storage

    DEFF Research Database (Denmark)

    Petersen, Tage; Elmegaard, Brian; Pedersen, Allan Schrøder

    This project investigates the potential of a Compressed Air Energy Storage system (CAES system). CAES systems are used to store mechanical energy in the form of compressed air. The systems use electricity to drive the compressor at times of low electricity demand with the purpose of converting...... the mechanical energy into electricity at times of high electricity demand. Two such systems are currently in operation; one in Germany (Huntorf) and one in the USA (Macintosh, Alabama). In both cases, an underground cavern is used as a pressure vessel for the storage of the compressed air. Both systems...... a turbine when discharging. In this case, the liquid works effectively as a piston compressing the gas in the vessel, hence the name “Adiabatic Liquid Piston Compressed Air Energy Storage” (ALP-CAES). The compression ratio of the gas in the vessel (ratio between maximum and minimum pressure) is relatively...

  3. An Integrated Development Environment for Adiabatic Quantum Programming

    Energy Technology Data Exchange (ETDEWEB)

    Humble, Travis S [ORNL; McCaskey, Alex [ORNL; Bennink, Ryan S [ORNL; Billings, Jay Jay [ORNL; D' Azevedo, Eduardo [ORNL; Sullivan, Blair D [ORNL; Klymko, Christine F [ORNL; Seddiqi, Hadayat [ORNL

    2014-01-01

    Adiabatic quantum computing is a promising route to the computational power afforded by quantum information processing. The recent availability of adiabatic hardware raises the question of how well quantum programs perform. Benchmarking behavior is challenging since the multiple steps to synthesize an adiabatic quantum program are highly tunable. We present an adiabatic quantum programming environment called JADE that provides control over all the steps taken during program development. JADE captures the workflow needed to rigorously benchmark performance while also allowing a variety of problem types, programming techniques, and processor configurations. We have also integrated JADE with a quantum simulation engine that enables program profiling using numerical calculation. The computational engine supports plug-ins for simulation methodologies tailored to various metrics and computing resources. We present the design, integration, and deployment of JADE and discuss its use for benchmarking adiabatic quantum programs.

  4. Adiabatic logic future trend and system level perspective

    CERN Document Server

    Teichmann, Philip

    2012-01-01

    Adiabatic logic is a potential successor for static CMOS circuit design when it comes to ultra-low-power energy consumption. Future development like the evolutionary shrinking of the minimum feature size as well as revolutionary novel transistor concepts will change the gate level savings gained by adiabatic logic. In addition, the impact of worsening degradation effects has to be considered in the design of adiabatic circuits. The impact of the technology trends on the figures of merit of adiabatic logic, energy saving potential and optimum operating frequency, are investigated, as well as degradation related issues. Adiabatic logic benefits from future devices, is not susceptible to Hot Carrier Injection, and shows less impact of Bias Temperature Instability than static CMOS circuits. Major interest also lies on the efficient generation of the applied power-clock signal. This oscillating power supply can be used to save energy in short idle times by disconnecting circuits. An efficient way to generate the p...

  5. How detrimental is decoherence in adiabatic quantum computation?

    CERN Document Server

    Albash, Tameem

    2015-01-01

    Recent experiments with increasingly larger numbers of qubits have sparked renewed interest in adiabatic quantum computation, and in particular quantum annealing. A central question that is repeatedly asked is whether quantum features of the evolution can survive over the long time-scales used for quantum annealing relative to standard measures of the decoherence time. We reconsider the role of decoherence in adiabatic quantum computation and quantum annealing using the adiabatic quantum master equation formalism. We restrict ourselves to the weak-coupling and singular-coupling limits, which correspond to decoherence in the energy eigenbasis and in the computational basis, respectively. We demonstrate that decoherence in the instantaneous energy eigenbasis does not necessarily detrimentally affect adiabatic quantum computation, and in particular that a short single-qubit $T_2$ time need not imply adverse consequences for the success of the quantum adiabatic algorithm. We further demonstrate that boundary canc...

  6. Multiphoton atom ionization on the field of an ultrashort laser pulse

    International Nuclear Information System (INIS)

    One derived closed analytical expressions for probability of multiphoton ionization of atoms and ions under the effect of alternating electrical field applicable for arbitrary values of Keldysh parameter. One studies dependences of ionization probability and pulsed spectrum of photoelectrons on the shape of ultrashort laser pulse. One studied in detail examples of various type pulsed fields. One studied interference effect in energy spectrum of photoelectrons at atom ionization by general periodical field. One discusses field of application for adiabatic approximation in theory of multiphoton ionization

  7. Power spectra in the eikonal approximation with adiabatic and non-adiabatic modes

    CERN Document Server

    Bernardeau, Francis; Vernizzi, Filippo

    2012-01-01

    We use the so-called eikonal approximation, recently introduced in the context of cosmological perturbation theory, to compute power spectra for multi-component fluids. We demonstrate that, at any given order in standard perturbation theory, multi-point power spectra do not depend on the large-scale adiabatic modes. Moreover, we employ perturbation theories to decipher how non-adiabatic modes, such as a relative velocity between two different components, damp the small-scale matter power spectrum, a mechanism recently described in the literature. In particular, we do an explicit calculation at 1-loop order of this effect. While the 1-loop result eventually breaks down, we show how the damping effect can be fully captured by the help of the eikonal approximation. A relative velocity not only induces mode damping but also creates large-scale anisotropic modulations of the matter power spectrum amplitude. We illustrate this for the Local Group environment.

  8. Vibrational dynamics of the bifluoride ion. II. Adiabatic separation and proton dynamics

    Science.gov (United States)

    Epa, V. C.; Thorson, W. R.

    1990-01-01

    Vibrational dynamics of the bifluoride ion FHF-, which exhibits strongly anharmonic and nonseparable vibrations, is studied using the extended ab initio model potential surface described in the first paper of this series. Adiabatic separation of the proton motion from the F-F (ν1) motion forms a zero-order basis for description, although strong coupling of adiabatic states by the ν1 motion is important in higher vibrational levels and must be considered to understand the spectrum. The adiabatic protonic eigenstates at F-F separations R from 3.75 to 6.40 a.u. have been determined using the self-consistent field approximation in prolate spheroidal coordinates to provide a basis set for configuration interaction expansion of the exact eigenstates. 78 SCF eigenstates (21 σg, 21 σu, 21 πu, and 15 πg) were computed by ``exact'' numerical solution of the SCF equations. The adiabatic CI eigenstates are shown to be converged in energy to better than 1.0 cm-1 for the ground state of each symmetry type and usually better than 10 cm-1 for the lowest three to five states, and pass critical tests of accuracy such as the Hellmann-Feynman theorem. The resulting CI potential energy curves closely resemble corresponding SCF energy curves and justify the concept of mode separation even in this very anharmonic system. The adiabatic CI potential energy curves explain most aspects of the dynamics relevant to the IR and Raman spectra of FHF- (e.g., in KHF2), and calculations of ν1 dynamics within the adiabatic approximation suffice to assign most of the observed IR spectrum of KHF2(s) (to about 6000 cm-1). States corresponding qualitatively to modal overtone and combination levels such as 3ν2 and (ν2+2ν3) however exhibit avoided crossings in the neighborhood of the equilibrium configuration and ``Fermi resonance'' involving interactions of two or more such adiabatic states via the ν1 motion must be treated by close-coupling to predict both frequencies and intensities in the

  9. Physics of ionized gases

    CERN Document Server

    Smirnov, Boris M

    2001-01-01

    A comprehensive textbook and reference for the study of the physics of ionized gasesThe intent of this book is to provide deep physical insight into the behavior of gases containing atoms and molecules from which one or more electrons have been ionized. The study of these so-called plasmas begins with an overview of plasmas as they are found in nature and created in the laboratory. This serves as a prelude to a comprehensive study of plasmas, beginning with low temperature and "ideal" plasmas and extending to radiation and particle transport phenomena, the response of plasmas to external fields, and an insightful treatment of plasma waves, plasma instabilities, nonlinear phenomena in plasmas, and the study of plasma interactions with surfaces

  10. Quantum-statistical equation-of-state models of dense plasmas: high-pressure Hugoniot shock adiabats

    CERN Document Server

    Pain, Jean-Christophe

    2007-01-01

    We present a detailed comparison of two self-consistent equation-of-state models which differ from their electronic contribution: the atom in a spherical cell and the atom in a jellium of charges. It is shown that both models are well suited for the calculation of Hugoniot shock adiabats in the high pressure range (1 Mbar-10 Gbar), and that the atom-in-a-jellium model provides a better treatment of pressure ionization. Comparisons with experimental data are also presented. Shell effects on shock adiabats are reviewed in the light of these models. They lead to additional features not only in the variations of pressure versus density, but also in the variations of shock velocity versus particle velocity. Moreover, such effects are found to be responsible for enhancement of the electronic specific heat.

  11. Unified treatment of dissociation and ionization processes in molecular hydrogen

    International Nuclear Information System (INIS)

    A theoretical procedure is introduced which yields eigenvalues and eigenvectors of the reactance matrix pertaining to competing dissociation and ionization processes in molecular Rydberg states. A calculation is set up in terms of adiabatic (nuclear-coordinate dependent) quantum defects μ(R) which contain the essence of the physics of the excited molecular complex at short range. The application to preionized and predissociated resonances in the H2 spectrum yields good agreement with experiment

  12. Ionization gage

    International Nuclear Information System (INIS)

    An ionization manometer is proposed which contains a transducer consisting of an anode, a directly heated cathode and a collector, a power source, a cathode emission current stabilizer, an ionic current amplifier connected to a recorder, and a cathode emission current modulator. To increase the accuracy of measurements under conditions of vacuum evaporation of materials, the modulator has been designed to comprise a source of controlling electric unipolar pulses of a specified duration and frequency and a blocking device connected to the collector. The output of the source of controlling electric unipolar pulses is connected to the emission current stabilizer and to the second input of the blocking device whose output is connected to the ionic current amplifier. The amount of pressure exerted in the vacuum chamber is estimated from the magnitude of the variable constituent of the collector signal

  13. Study on the plasma proteomic profiling by using surface enhanced laser desorption ionization time of flight mass spectrometry for setting up a diagnostic model of endometriosis

    Institute of Scientific and Technical Information of China (English)

    Liu Hai-yuan; Liu Chun-yan; Leng Jin-hua; Liu Zhu-feng; Sun Da-wei; Zhu Lan; Lang Jing-he; Zheng Yan-hua; Zhang Jian-zhong

    2007-01-01

    Objective: To determine the plasma proteomic profiling by using surface enhanced laser desorption ionization time of flight mass spectrometry (SELDI-TOF-MS) combined with bioinformatics for screening biomarkers of endometriosis and primarily setting up a diagnostic model of endometriosis.Method.Thirty-six patients with endometriosis diagnosed laparoscopically and thirty-five healthy controls were included in the study.Their serum were analyzed by SELDI and protein chip to generate protein profiling spectra.Student t test was used to compare the peak intensifies of the protein profiling results from the different groups.Biomarker Pattern Software was used to analyze the data between two groups and set up a diagnostic model for endometriosis.Protein profiling spectra from sixteen endometriosis patients and fifteen healthy controls were used double-blindedly to test the efficiency of the diagnostic model and generate the sensitivity and specificity of the model.Result: Fourteen abnormally expressed protein peaks were detected in the plasma of patients with endometriosis (P<0.01).The endometriosis diagnostic model was composed of three protein peaks.It correctly identified 33 of 36 patients with endometriosis and 29 of 35 controls in the training test.In the masked set 14 of 16 patients with endometriosis and 12 of 15 normal controls were correctly identified with sensitivity of 87.5% and specificity of 8o%.Conclusion: Patients with endometriosis have a unique cluster of proteins in plasma detected by SELDI.SELDI provides a new approach for screening novel biomarkers of endometriosis.Its utility in clinical practice need further study.

  14. Mass Modeling of Disk Galaxies: Constraints and Adiabatic Contraction

    CERN Document Server

    Dutton, A A; Carignan, C; De Jong, R; Dutton, Aaron A.; Courteau, Stephane; Carignan, Claude; Jong, Roelof de

    2003-01-01

    We present a comprehensive mass modeling technique for disk galaxies with resolved rotation curves. Our models allow for a stellar disk of variable thickness and mass-to-light ratio, a gaseous disk, halo profiles with a range of inner density profile slopes (-ALPHA), oblate halos, adiabatic contraction of the halo, and fixed minimum rotation curve error values. We test our technique with data from the literature consisting of high quality HI and Halpha rotation curves for galaxies with available photometry. These galaxies consist of dwarf, low surface brightness (LSB), and high surface brightness (HSB) galaxies. We apply constraints on the disk, and halo parameters in an attempt to break the degeneracies that exist between the disk and halo and between the halo parameters themselves. With our full set of constraints we find that ALPHA=0 halos provide the best fits for 6 out of 7 galaxies; in agreement with the literature; the exception, NGC 2403 an HSB galaxy, is best fit with ALPHA~1, though ALPHA=0 still pr...

  15. Experimental implementation of an adiabatic quantum optimization algorithm

    CERN Document Server

    Steffen, M; Hogg, T; Breyta, G; Chuang, I; Steffen, Matthias; Dam, Wim van; Hogg, Tad; Breyta, Greg; Chuang, Isaac

    2003-01-01

    We report the realization of a nuclear magnetic resonance computer with three quantum bits that simulates an adiabatic quantum optimization algorithm. Adiabatic quantum algorithms offer new insight into how quantum resources can be used to solve hard problems. This experiment uses a particularly well suited three quantum bit molecule and was made possible by introducing a technique that encodes general instances of the given optimization problem into an easily applicable Hamiltonian. Our results indicate an optimal run time of the adiabatic algorithm that agrees well with the prediction of a simple decoherence model.

  16. A note on the geometric phase in adiabatic approximation

    CERN Document Server

    Tong, D M; Kwek, L C; Oh, C H

    2004-01-01

    It is widely held that the Berry phase of a quantum system is the geometric phase in adiabatic approximation. However, Pati and Rajagopal recently claimed that the Berry phase vanishes under strict adiabatic evolution. In this note, we reexamine and address this issue. In particular, we show that the use of the adiabatic theorem does not lead to this inconsistency. We also examine the difference between the Berry phase and the exact geometric phase. Here we find that the Berry phase may differ appreciably from the exact geometric phase if the evolution time is large enough.

  17. Approximability of optimization problems through adiabatic quantum computation

    CERN Document Server

    Cruz-Santos, William

    2014-01-01

    The adiabatic quantum computation (AQC) is based on the adiabatic theorem to approximate solutions of the Schrödinger equation. The design of an AQC algorithm involves the construction of a Hamiltonian that describes the behavior of the quantum system. This Hamiltonian is expressed as a linear interpolation of an initial Hamiltonian whose ground state is easy to compute, and a final Hamiltonian whose ground state corresponds to the solution of a given combinatorial optimization problem. The adiabatic theorem asserts that if the time evolution of a quantum system described by a Hamiltonian is l

  18. Adiabatic Pair Creation in Heavy Ion and Laser Fields

    CERN Document Server

    Pickl, P; Pickl, Peter; Duerr, Detlef

    2006-01-01

    The planned generation of lasers and heavy ion colliders renews the hope to see electron-positron pair creation in strong classical fields (so called spontaneous pair creation). This adiabatic relativistic effect has however not been described in a unified manner. We discuss here the theory of adiabatic pair creation yielding the momentum distribution of scattered pairs in overcritical fields. Our conclusion about the possibility of adiabatic pair creation is much more positive than earlier predictions for laser fields and most importantly gives priority to optical before X-ray lasers.

  19. Constraints on the Adiabatic Temperature Change in Magnetocaloric Materials

    DEFF Research Database (Denmark)

    Nielsen, Kaspar Kirstein; Bahl, Christian Robert Haffenden; Smith, Anders

    2010-01-01

    The thermodynamics of the magnetocaloric effect implies constraints on the allowed variation in the adiabatic temperature change for a magnetocaloric material. An inequality for the derivative of the adiabatic temperature change with respect to temperature is derived for both first- and second......-order materials. For materials with a continuous adiabatic temperature change as a function of temperature, this inequality is shown to hold for all temperatures. However, discontinuous materials may violate the inequality. We compare our results with measured results in the literature and discuss...

  20. Adiabatic control of atomic dressed states for transport and sensing

    Science.gov (United States)

    Cooper, N. R.; Rey, A. M.

    2015-08-01

    We describe forms of adiabatic transport that arise for dressed-state atoms in optical lattices. Focusing on the limit of weak tunnel-coupling between nearest-neighbor lattice sites, we explain how adiabatic variation of optical dressing allows control of atomic motion between lattice sites: allowing adiabatic particle transport in a direction that depends on the internal state, and force measurements via spectroscopic preparation and readout. For uniformly filled bands these systems display topologically quantized particle transport. An implementation of the dressing scheme using optical transitions in alkaline-earth atoms is discussed as well as its favorable features for precise force sensing.

  1. Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalism

    Science.gov (United States)

    Landau, Arie; Khistyaev, Kirill; Dolgikh, Stanislav; Krylov, Anna I.

    2010-01-01

    The frozen natural orbital (FNO) approach, which has been successfully used in ground-state coupled-cluster calculations, is extended to open-shell ionized electronic states within equation-of-motion coupled-cluster (EOM-IP-CC) formalism. FNOs enable truncation of the virtual orbital space significantly reducing the computational cost with a negligible decline in accuracy. Implementation of the MP2-based FNO truncation scheme within EOM-IP-CC is presented and benchmarked using ionized states of beryllium, dihydrogen dimer, water, water dimer, nitrogen, and uracil dimer. The results show that the natural occupation threshold, i.e., percentage of the total natural occupation recovered in the truncated virtual orbital space, provides a more robust truncation criterion as compared to the fixed percentage of virtual orbitals retained. Employing 99%-99.5% natural occupation threshold, which results in the virtual space reduction by 70%-30%, yields errors below 1 kcal/mol. Moreover, the total energies exhibit linear dependence as a function of the percentage of the natural occupation retained allowing for extrapolation to the full virtual space values. The capabilities of the new method are demonstrated by the calculation of the 12 lowest vertical ionization energies (IEs) and the lowest adiabatic IE of guanine. In addition to IE calculations, we present the scans of potential energy surfaces (PESs) for ionized (H2O)2 and (H2)2. The scans demonstrate that the FNO truncation does not introduce significant nonparallelity errors and accurately describes the PESs shapes and the corresponding energy differences, e.g., dissociation energies.

  2. Adiabatic nanofocusing: spectroscopy, transport and imaging investigation of the nano world

    Science.gov (United States)

    Giugni, A.; Allione, M.; Torre, B.; Das, G.; Francardi, M.; Moretti, M.; Malerba, M.; Perozziello, G.; Candeloro, P.; Di Fabrizio, E.

    2014-11-01

    Adiabatic compression plays a fundamental role in the realization of localized enhanced electromagnetic field hot spots, it provides the possibility to focus at nanoscale optical excitation. It differs from the well-known lightning rod effect since it is based on the lossless propagation of surface plasmon polaritons (SPPs) up to a nano-sized metal tip where the energy density is largely enhanced. Here we discuss two important applications of adiabatic compression: Raman and hot electron spectroscopy at nanometric resolution. The underlying phenomena are the conversion of SPPs into photons or hot electrons. New scanning probe spectroscopy techniques along with experimental results are discussed. We foresee that these techniques will play a key role in relating the functional and structural properties of matter at the nanoscale.

  3. Fully quantum non-adiabatic dynamics in electronic-nuclear coherent state basis

    CERN Document Server

    Humeniuk, Alexander

    2016-01-01

    Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of the potential energy surfaces between wavepackets therefore usually have to be approximated. It is shown, that if a modified form of valence bond theory is used instead of the usual MO-based theories, the matrix elements can be obtained exactly. This is so because the molecular Hamiltonian only contains the Coulomb potential, for which matrix elements between different basis functions (consisting of Gaussian nuclear and electronic orbitals) are all well-known. In valence bond theory the self-consistent field calculation can be avoided so that the matrix elements are analytical functions of the nuclear coordinates. A method for simulating non-adiabatic quantum dynamics is sketched, where coherent state trajectories are propagated "on the fly" on adiabatic potential energy surf...

  4. Penetration of a resonant magnetic perturbation in an adiabatically rippled plasma slab

    CERN Document Server

    Dewar, Robert L; Bhattacharjee, Amitava; Yoshida, Zensho

    2016-01-01

    The adiabatic limit of a recently proposed dynamical extension of Taylor relaxation, \\emph{multi-region relaxed magnetohydrodynamics} (MRxMHD) is summarized, with special attention to the appropriate definition of relative magnetic helicity. The formalism is illustrated using a simple two-region, sheared-magnetic-field model similar to the Hahm--Kulsrud--Taylor (HKT) rippled-boundary slab model. In MRxMHD a linear Grad--Shafranov equation applies, even at finite ripple amplitude. The adiabatic switching on of boundary ripple excites a shielding current sheet opposing reconnection at a resonant surface. The perturbed magnetic field as a function of ripple amplitude is calculated by invoking conservation of magnetic helicity in the two regions separated by the current sheet. At low ripple amplitude "half islands" appear on each side of the current sheet, locking the rotational transform at the resonant value. Beyond a critical amplitude these islands disappear and the rotational transform develops a discontinui...

  5. Adiabatic nanofocusing: Spectroscopy, transport and imaging investigation of the nano world

    KAUST Repository

    Giugni, Andrea

    2014-11-01

    Adiabatic compression plays a fundamental role in the realization of localized enhanced electromagnetic field hot spots, it provides the possibility to focus at nanoscale optical excitation. It differs from the well-known lightning rod effect since it is based on the lossless propagation of surface plasmon polaritons (SPPs) up to a nano-sized metal tip where the energy density is largely enhanced. Here we discuss two important applications of adiabatic compression: Raman and hot electron spectroscopy at nanometric resolution. The underlying phenomena are the conversion of SPPs into photons or hot electrons. New scanning probe spectroscopy techniques along with experimental results are discussed. We foresee that these techniques will play a key role in relating the functional and structural properties of matter at the nanoscale.

  6. Adiabatic electronic flux density: a Born-Oppenheimer Broken Symmetry ansatz

    CERN Document Server

    Pohl, Vincent

    2016-01-01

    The Born-Oppenheimer approximation leads to the counterintuitive result of a vanishing electronic flux density upon vibrational dynamics in the electronic ground state. To circumvent this long known issue, we propose using pairwise anti-symmetrically translated vibronic densities to generate a symmetric electronic density that can be forced to satisfy the continuity equation approximately. The so-called Born-Oppenheimer broken symmetry ansatz yields all components of the flux density simultaneously while requiring only knowledge about the nuclear quantum dynamics on the electronic adiabatic ground state potential energy surface. The underlying minimization procedure is transparent and computationally inexpensive, and the solution can be computed from the standard output of any quantum chemistry program. Taylor series expansion reveals that the implicit electron dynamics originates from non-adiabatic coupling to the explicit Born-Oppenheimer nuclear dynamics. The new approach is applied to the ${\\rm H}_2^+$ mo...

  7. On the persistence of adiabatic shear bands

    Directory of Open Access Journals (Sweden)

    Bassim M.N.

    2012-08-01

    Full Text Available It is generally agreed that the initiation and development of adiabatic shear bands (ASBs are manifestations of damage in metallic materials subjected to high strain rates and large strains as those due to impact in a Hopkinson Bar system. Models for evolution of these bands have been described in the literature. One question that has not received attention is how persistent these bands are and whether their presence and effect can be reversed or eliminated by using a process of thermal (heat treatment or thermo-mechanical treatment that would relieve the material from the high strain associated with ASBs and their role as precursors to crack initiation and subsequent failure. Since ASBs are more prevalent and more defined in BCC metals including steels, a study was conducted to investigate the best conditions of generating ASBs in a heat treatable steel, followed by determining the best conditions for heat treatment of specimens already damaged by the presence of ASBs in order to relieve the strains due to ASBs and restore the material to an apparent microstructure without the “scars” due to the previous presence of ASBs. It was found that heat treatment achieves the curing from ASBs. This presentation documents the process undertaken to achieve this objective.

  8. Design of the PIXIE Adiabatic Demagnetization Refrigerators

    Science.gov (United States)

    Shirron, Peter J.; Kimball, Mark Oliver; Fixsen, Dale J.; Kogut, Alan J.; Li, Xiaoyi; DiPirro, Michael

    2012-01-01

    The Primordial Inflation Explorer (PIXIE) is a proposed mission to densely map the polarization of the cosmic microwave background. It will operate in a scanning mode from a sun-synchronous orbit, using low temperature detectors (at 0.1 K) and located inside a teslescope that is cooled to approximately 2.73 K - to match the background temperature. A mechanical cryocooler operating at 4.5 K establishes a low base temperature from which two adiabatic demagnetization refrigerator (ADR) assemblies will cool the telescope and detectors. To achieve continuous scanning capability, the ADRs must operate continuously. Complicating the design are two factors: 1) the need to systematically vary the temperature of various telescope components in order to separate the small polarization signal variations from those that may arise from temperature drifts and changing gradients within the telescope, and 2) the orbital and monthly variations in lunar irradiance into the telescope barrels. These factors require the telescope ADR to reject quasi-continuous heat loads of 2-3 millwatts, while maintaining a peak heat reject rate of less than 12 milliwatts. The detector heat load at 0.1 K is comparatively small at 1-2 microwatts. This paper will describe the 3-stage and 2-stage continuous ADRs that will be used to meet the cooling power and temperature stability requirements of the PIXIE detectors and telescope.

  9. Graph isomorphism and adiabatic quantum computing

    Science.gov (United States)

    Gaitan, Frank; Clark, Lane

    2014-03-01

    In the Graph Isomorphism (GI) problem two N-vertex graphs G and G' are given and the task is to determine whether there exists a permutation of the vertices of G that preserves adjacency and maps G --> G'. If yes (no), then G and G' are said to be isomorphic (non-isomorphic). The GI problem is an important problem in computer science and is thought to be of comparable difficulty to integer factorization. We present a quantum algorithm that solves arbitrary instances of GI, and which provides a novel approach to determining all automorphisms of a graph. The algorithm converts a GI instance to a combinatorial optimization problem that can be solved using adiabatic quantum evolution. Numerical simulation of the algorithm's quantum dynamics shows that it correctly distinguishes non-isomorphic graphs; recognizes isomorphic graphs; and finds the automorphism group of a graph. We also discuss the algorithm's experimental implementation and show how it can be leveraged to solve arbitrary instances of the NP-Complete Sub-Graph Isomorphism problem.

  10. Adiabatic rotation, quantum search, and preparation of superposition states

    Science.gov (United States)

    Siu, M. Stewart

    2007-06-01

    We introduce the idea of using adiabatic rotation to generate superpositions of a large class of quantum states. For quantum computing this is an interesting alternative to the well-studied “straight line” adiabatic evolution. In ways that complement recent results, we show how to efficiently prepare three types of states: Kitaev’s toric code state, the cluster state of the measurement-based computation model, and the history state used in the adiabatic simulation of a quantum circuit. We also show that the method, when adapted for quantum search, provides quadratic speedup as other optimal methods do with the advantages that the problem Hamiltonian is time independent and that the energy gap above the ground state is strictly nondecreasing with time. Likewise the method can be used for optimization as an alternative to the standard adiabatic algorithm.

  11. Application of adiabatic calorimetry to metal systems. Final report

    International Nuclear Information System (INIS)

    Research on the application of adiabatic calorimetry to metal systems is described. Investigations into formation of pearlite in steels, ferromagnetic effects, cold working and annealing, solid solution alloys, pure solid metals, and pure liquid metals, are briefly described

  12. Magnesium Diboride Superconducting Coils for Adiabatic Demagnetization Refrigerators (ADR's) Project

    Data.gov (United States)

    National Aeronautics and Space Administration — For Adiabatic Demagnetization Refrigerators(ADR's) for space it is desirable to have very light weight, small diameter, high current density superconducting wires...

  13. AN ADIABATIC APPROACH FOR LOW POWER FULL ADDER DESIGN

    Directory of Open Access Journals (Sweden)

    Prof. Dinesh Chandra

    2011-09-01

    Full Text Available Over the past decade, several adiabatic logic styles have been reported. This paper deals with the design of a 1-bit full adder using several adiabatic logic styles, which are derived from static CMOS logic, without a large change. The full adders are designed using 180nm technology parameters provided by predictive technology and simulated using HSPICE. The full adders designed are compared in terms of average power consumption with different values of load capacitance, temperature and input frequency. The different designs of full adder are also compared on the basis of propagation delay exhibit by them. It is found that, full adders designed with adiabatic logic styles tends to consume very low power in comparison to full adder designed with static CMOS logic. Under certain operating conditions, one of adiabatic designs of full adder achieves upto 74% power saving in comparison to the full adder designedwith static CMOS logic.

  14. Astrophysical fluid simulations of thermally ideal gases with non-constant adiabatic index: numerical implementation

    CERN Document Server

    Vaidya, B; Bodo, G; Massaglia, S

    2015-01-01

    An Equation of State (\\textit{EoS}) closes the set of fluid equations. Although an ideal EoS with a constant \\textit{adiabatic index} $\\Gamma$ is the preferred choice due to its simplistic implementation, many astrophysical fluid simulations may benefit from a more sophisticated treatment that can account for diverse chemical processes. Here, we first review the basic thermodynamic principles of a gas mixture in terms of its thermal and caloric EoS by including effects like ionization, dissociation as well as temperature dependent degrees of freedom such as molecular vibrations and rotations. The formulation is revisited in the context of plasmas that are either in equilibrium conditions (local thermodynamic- or collisional excitation- equilibria) or described by non-equilibrium chemistry coupled to optically thin radiative cooling. We then present a numerical implementation of thermally ideal gases obeying a more general caloric EoS with non-constant adiabatic index in Godunov-type numerical schemes.We discu...

  15. Adiabatic Channel Capture Theory Applied to Cold Atom-Molecule Reactions: Li + CaH -> LiH + Ca at 1 K

    CERN Document Server

    Tscherbul, Timur V

    2014-01-01

    We use quantum and classical adiabatic capture theories to study the chemical reaction Li + CaH -> LiH + Ca. Using a recently developed ab initio potential energy surface, which provides an accurate representation of long-range interactions in the entrance reaction channel, we calculate the adiabatic channel potentials by diagonalizing the atom-molecule Hamiltonian as a function of the atom-molecule separation. The resulting adiabatic channel potentials are used to calculate both the classical and quantum capture probabilities as a function of collision energy, as well as the temperature dependencies of the partial and total reaction rates. The calculated reaction rate agrees well with the measured value at 1 K [V. Singh et al., Phys. Rev. Lett. 108, 203201 (2012)], suggesting that the title reaction proceeds without an activation barrier. The calculated classical adiabatic capture rate agrees well with the quantum result in the multiple partial wave regime of relevance to the experiment. Significant differen...

  16. Stimulated Raman adiabatic passage for improved performance of a cold-atom electron and ion source

    Science.gov (United States)

    Sparkes, B. M.; Murphy, D.; Taylor, R. J.; Speirs, R. W.; McCulloch, A. J.; Scholten, R. E.

    2016-08-01

    We implement high-efficiency coherent excitation to a Rydberg state using stimulated Raman adiabatic passage in a cold-atom electron and ion source. We achieve an efficiency of 60% averaged over the laser excitation volume with a peak efficiency of 82%, a 1.6 times improvement relative to incoherent pulsed-laser excitation. Using pulsed electric field ionization of the Rydberg atoms we create electron bunches with durations of 250 ps. High-efficiency excitation will increase source brightness, crucial for ultrafast electron diffraction experiments, and coherent excitation to high-lying Rydberg states could allow for the reduction of internal bunch heating and the creation of a high-speed single-ion source.

  17. Extended adiabatic blast waves and a model of the soft X-ray background. [interstellar matter

    Science.gov (United States)

    Cox, D. P.; Anderson, P. R.

    1981-01-01

    An analytical approximation is generated which follows the development of an adiabatic spherical blast wave in a homogeneous ambient medium of finite pressure. An analytical approximation is also presented for the electron temperature distribution resulting from coulomb collisional heating. The dynamical, thermal, ionization, and spectral structures are calculated for blast waves of energy E sub 0 = 5 x 10 to the 50th power ergs in a hot low-density interstellar environment. A formula is presented for estimating the luminosity evolution of such explosions. The B and C bands of the soft X-ray background, it is shown, are reproduced by such a model explosion if the ambient density is about .000004 cm, the blast radius is roughly 100 pc, and the solar system is located inside the shocked region. Evolution in a pre-existing cavity with a strong density gradient may, it is suggested, remove both the M band and OVI discrepancies.

  18. Adiabatic instability in coupled dark energy-dark matter models

    OpenAIRE

    Bean, Rachel; Flanagan, Eanna E.; Trodden, Mark

    2007-01-01

    We consider theories in which there exists a nontrivial coupling between the dark matter sector and the sector responsible for the acceleration of the universe. Such theories can possess an adiabatic regime in which the quintessence field always sits at the minimum of its effective potential, which is set by the local dark matter density. We show that if the coupling strength is much larger than gravitational, then the adiabatic regime is always subject to an instability. The instability, whi...

  19. Hybrid adiabatic potentials in the QCD string model

    CERN Document Server

    Kalashnikova, Yu S; Kalashnikova, Yu.S.

    2003-01-01

    The short- and intermediate-distance behaviour of the hybrid adiabatic potentials is calculated in the framework of the QCD string model. The calculations are performed with the inclusion of Coulomb force. Spin-dependent force and the so-called string correction term are treated as perturbation at the leading potential-type regime. Reasonably good agreement with lattice measurements takes place for adiabatic curves excited with magnetic components of field strength correlators.

  20. Non Adiabatic Centrifugal Compressor Gas Dynamic Performance Definition

    OpenAIRE

    Soldatova, Kristina

    2014-01-01

    Most centrifugal compressors operate in conditions with negligible heat transfer (adiabatic compression). Their plant tests conditions are similar or close to adiabatic conditions. Test regulations establish measures to diminish influence of a heat transfer “compressor body – atmospheric air” to an exit temperature. Therefore a temperature rise in a compressor is used to calculate a work input coefficient and efficiency. Unlike it high pressure centrifugal compressors of gas turbines and supe...

  1. Adiabatic Quantum Programming: Minor Embedding With Hard Faults

    OpenAIRE

    Klymko, Christine; Sullivan, Blair D.; Humble, Travis S.

    2012-01-01

    Adiabatic quantum programming defines the time-dependent mapping of a quantum algorithm into an underlying hardware or logical fabric. An essential step is embedding problem-specific information into the quantum logical fabric. We present algorithms for embedding arbitrary instances of the adiabatic quantum optimization algorithm into a square lattice of specialized unit cells. These methods extend with fabric growth while scaling linearly in time and quadratically in footprint. We also provi...

  2. Adiabatic CMB perturbations in pre-big bang string cosmology

    CERN Document Server

    Enqvist, Kari; Enqvist, Kari; Sloth, Martin S.

    2002-01-01

    We consider the pre-big bang scenario with a massive axion field which starts to dominate energy density when oscillating in an instanton-induced potential and subsequently reheats the universe as it decays into photons, thus creating adiabatic CMB perturbations. We find that the fluctuations in the axion field can give rise to a nearly flat spectrum of adiabatic perturbations with a spectral tilt $\\Delta n$ in the range $-0.1 \\lesssim \\Delta n \\lesssim 0.3$.

  3. Preparation of Entangled States of Three Particles by Adiabatic Passage

    Institute of Scientific and Technical Information of China (English)

    郭建友

    2002-01-01

    We propose a novel technique for the creation of entangled states of three particles, based upon an adiabatic passage induced by a suitably crafted time-dependent external field. We derive the corresponding adiabatic and bare conditions for the preparation of entangled states. We obtain the time evolutions of the energy of the system and the populations involving the initial state and target entangled state.

  4. ENTROPY-VORTEX WAVES IN NON-ADIABATIC FLOWS

    Energy Technology Data Exchange (ETDEWEB)

    Ibáñez S, Miguel H., E-mail: mhibanez@yahoo.com [Departamento de Ciencias Básicas, Facultad de Ingeniería, Universidad Autónoma del Caribe, Barranquilla (Colombia)

    2016-02-20

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

  5. Dependence of adiabatic population transfer on pulse profile

    Indian Academy of Sciences (India)

    S Dasgupta; T kushwaha; D Goswami

    2006-06-01

    Control of population transfer by rapid adiabatic passage has been an established technique wherein the exact amplitude profile of the shaped pulse is considered to be insignificant. We study the effect of ultrafast shaped pulses for two-level systems, by density-matrix approach. However, we find that adiabaticity depends simultaneously on pulse profile as well as the frequency modulation under non-resonant conditions.

  6. Adiabatic invariant value variation under shortwave band subcritical conditions

    Science.gov (United States)

    Svistunov, K. V.; Tinin, M. V.

    1985-04-01

    The possibility of significant variations of the adiabatic invariant is examined for the propagation of radio waves in an irregular Earth-ionosphere waveguide with a parabolic dependence of permittivity on height. Numerical and analytical results indicate that nonexponential deviations of the adiabatic invariant can occur not only when the characteristic size of horizontal irregularity decreases (e.g., during resonant beam excitation) but also in quasi-critical conditions and for smoothly irregular waveguides.

  7. Adiabatic calorimetric decomposition studies of 50 wt.% hydroxylamine/water.

    Science.gov (United States)

    Cisneros, L O; Rogers, W J; Mannan, M S

    2001-03-19

    Calorimetric data can provide a basis for determining potential hazards in reactions, storage, and transportation of process chemicals. This work provides calorimetric data for the thermal decomposition behavior in air of 50wt.% hydroxylamine/water (HA), both with and without added stabilizers, which was measured in closed cells with an automatic pressure tracking adiabatic calorimeter (APTAC). Among the data provided are onset temperatures, reaction order, activation energies, pressures of noncondensable products, thermal stability at 100 degrees C, and the effect of HA storage time. Discussed also are the catalytic effects of carbon steel, stainless steel, stainless steel with silica coating, inconel, titanium, and titanium with silica coating on the reaction self-heat rates and onset temperatures. In borosilicate glass cells, HA was relatively stable at temperatures up to 133 degrees C, where the HA decomposition self-heat rate reached 0.05 degrees C/min. The added stabilizers appeared to reduce HA decomposition rates in glass cells and at ambient temperatures. The tested metals and metal surfaces coated with silica acted as catalysts to lower the onset temperatures and increase the self-heat rates.

  8. Adiabatic self-trapped states in zigzag nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Brizhik, L S [Bogolyubov Institute for Theoretical Physics, 03680 Kyiv (Ukraine); Eremko, A A [Bogolyubov Institute for Theoretical Physics, 03680 Kyiv (Ukraine); Piette, B M A G [Department of Mathematical Sciences, University of Durham, Durham DH1 3LE (United Kingdom); Zakrzewski, W J [Department of Mathematical Sciences, University of Durham, Durham DH1 3LE (United Kingdom)

    2007-08-01

    We study the polaron (soliton) states of a quasiparticle (electron, hole, exciton) in a quasi-one-dimensional (quasi-1D) model which describes a carbon-type zigzag nanotube structure. In the Hamiltonian of the system we include the electron-phonon interaction that arises from the dependence of both the on-site and the hopping interaction energies on the lattice deformation. We derive, in the adiabatic approximation, the equations for the self-trapped states of a quasiparticle in a zigzag nanotube. We show that the ground state of such a system depends on the strength of the electron-phonon coupling and we find polaron-type solutions with different symmetries. Namely, at a relatively weak coupling a quasiparticle is self-trapped in a quasi-1D polaron state which has an azimuthal symmetry. When the coupling constant exceeds some critical value, the azimuthal symmetry breaks down and the quasiparticle state can be described as a two-dimensional small polaron on the nanotube surface. In the crossover region between the two solutions there is a range of intermediate couplings, in which the two structures, the quasi-1D polaron and the strongly localized 2D polaron, coexist as their energies are very close together. We note that the results of this analytical study are in quantitative agreement with what has recently been observed numerically.

  9. A New Type of Non-Noether Adiabatic Invariants for Disturbed Lagrangian Systems: Adiabatic Invariants of Generalized Lutzky Type

    Institute of Scientific and Technical Information of China (English)

    LUO Shao-Kai

    2007-01-01

    For a Lagrangian system with the action of small disturbance, the Lie symmetrical perturbation and a new type of non-Noether adiabatic invariant are presented in general infinitesimal transformation groups. On the basis of the invariance of disturbed Lagrangian systems under general infinitesimal transformations, the determining equations of Lie symmetries of the system are constructed. Based on the definition of higher-order adiabatic invariants of a mechanical system, a new type of adiabatic invariant, i.e. generalized Lutzky adiabatic invariants, of a disturbed Lagrangian system are obtained by investigating the perturbation of Lie symmetries for a Lagrangian system with the action of small disturbance. Finally, an example is given to illustrate the application of the method and results.

  10. FIELD IONIZATION OF MOLECULES IN AN INTENSE LASER FIELD

    Institute of Scientific and Technical Information of China (English)

    吴成印; 龚旗煌

    2001-01-01

    In order to predict the field ionization probabilities, the accurate ab initio electrostatic potential of molecules has to be calculated. However, the calculation of the full ab initio electrostatic potential of molecules is complicated,even impossible for some larger molecules with low symmetry. Here, we present a semi-empirical model to treat the field ionization of molecules in an intense laser field. In this model, a modified Coulomb potential is used to take the place of the complicated ab initio electrostatic potential of molecules. The analytic equations of the Keldysh adiabatic parameter using the Coulomb potential and the modified Coulomb potential have first been given. Using our semiempirical model, we have calculated the field ionization probabilities and the Keldysh adiabatic parameters of O2,N2, SO2, C2H4, CH3CN and C6H6 in an intense laser field. The results agree excellently with the calculations using the ab initio electrostatic potential of molecules. As the modified parameter for the Coulomb potential can be found from experimental measurements, the field ionization mechanism of molecules can be immediately predicted with our semi-empirical model.

  11. Dynamical fluctuations in classical adiabatic processes: General description and their implications

    OpenAIRE

    Zhang, Qi; Gong, Jiangbin; Oh, C. H.

    2010-01-01

    Dynamical fluctuations in classical adiabatic processes are not considered by the conventional classical adiabatic theorem. In this work a general result is derived to describe the intrinsic dynamical fluctuations in classical adiabatic processes. Interesting implications of our general result are discussed via two subtopics, namely, an intriguing adiabatic geometric phase in a dynamical model with an adiabatically moving fixed-point solution, and the possible "pollution" to Hannay's angle or...

  12. Phenomenon of transformed adiabatic shear band surrounded by deformed adiabatic shear band of ductile metal

    Institute of Scientific and Technical Information of China (English)

    WANG Xue-bin

    2008-01-01

    The coexistent phenomenon of deformed and transformed adiabatic shear bands(ASBs) of ductile metal was analyzed using the JOHNSON-COOK model and gradient-dependent plasticity(GDP). The effects of melting point, density, heat capacity and work to heat conversion factor were investigated. Higher work to heat conversion factor, lower density, lower heat capacity and higher melting point lead to wider transformed ASB and higher local plastic shear deformation between deformed and transformed ASBs. Higher work to heat conversion factor, lower density, lower heat capacity and lower melting point cause higher local plastic shear deformation in the deformed ASB. Three reasons for the scatter in experimental data on the ASB width were pointed out and the advantages of the work were discussed. If the transformed ASB width is used to back-calculate the internal length parameter in the GDP, undoubtedly, the parameter will be extremely underestimated.

  13. Quantitative surface analysis of a binary drug mixture--suppression effects in the detection of sputtered ions and post-ionized neutrals.

    Science.gov (United States)

    Karras, Gabriel; Lockyer, Nicholas P

    2014-05-01

    A systematic mass spectrometric study of two of the most common analgesic drugs, paracetamol and ibuprofen, is reported. The drugs were studied by means of secondary ion mass spectrometry (SIMS) and secondary neutral mass spectrometry (SNMS) using laser post-ionization (LPI) both in pure samples and in a two-component mixture. Ion suppression within the two-component system observed in SIMS mode is ameliorated using LPI under room temperature analysis. However, suppression effects are apparent in LPI mode on performing the analysis at cryogenic temperatures, which we attribute to changes in the desorption characteristics of sputtered molecules, which influences the subsequent post-ionization efficiency. This suggests different mechanisms of ion suppression in SIMS and LPI modes. PMID:24658806

  14. Quantitative Surface Analysis of a Binary Drug Mixture—Suppression Effects in the Detection of Sputtered Ions and Post-Ionized Neutrals

    Science.gov (United States)

    Karras, Gabriel; Lockyer, Nicholas P.

    2014-05-01

    A systematic mass spectrometric study of two of the most common analgesic drugs, paracetamol and ibuprofen, is reported. The drugs were studied by means of secondary ion mass spectrometry (SIMS) and secondary neutral mass spectrometry (SNMS) using laser post-ionization (LPI) both in pure samples and in a two-component mixture. Ion suppression within the two-component system observed in SIMS mode is ameliorated using LPI under room temperature analysis. However, suppression effects are apparent in LPI mode on performing the analysis at cryogenic temperatures, which we attribute to changes in the desorption characteristics of sputtered molecules, which influences the subsequent post-ionization efficiency. This suggests different mechanisms of ion suppression in SIMS and LPI modes.

  15. Ionization of Atoms by Slow Heavy Particles, Including Dark Matter.

    Science.gov (United States)

    Roberts, B M; Flambaum, V V; Gribakin, G F

    2016-01-15

    Atoms and molecules can become ionized during the scattering of a slow, heavy particle off a bound electron. Such an interaction involving leptophilic weakly interacting massive particles (WIMPs) is a promising possible explanation for the anomalous 9σ annual modulation in the DAMA dark matter direct detection experiment [R. Bernabei et al., Eur. Phys. J. C 73, 2648 (2013)]. We demonstrate the applicability of the Born approximation for such an interaction by showing its equivalence to the semiclassical adiabatic treatment of atomic ionization by slow-moving WIMPs. Conventional wisdom has it that the ionization probability for such a process should be exponentially small. We show, however, that due to nonanalytic, cusplike behavior of Coulomb functions close to the nucleus this suppression is removed, leading to an effective atomic structure enhancement. We also show that electron relativistic effects actually give the dominant contribution to such a process, enhancing the differential cross section by up to 1000 times.

  16. Physics on the adiabatically changed Finslerian manifold and cosmology

    CERN Document Server

    Lipovka, Anton A

    2016-01-01

    In present paper we confirm our previous result [4] that Planck constant is adiabatic invariant of electromagnetic field propagating on the adiabatically changed Finslerian manifold. Direct calculation from cosmological parameters gives value h=6x10(-27) (erg s). We also confirm that Planck constant (and hence other fundamental constants which depend on h) is varied on time due to changing of geometry. As an example the variation of the fine structure constant is calculated. Its relative variation ((da/dt)/a) consist 1.0x10(-18) (1/s). We show that on the Finsler manifold characterized by adiabatically changed geometry, classical free electromagnetic field is quantized geometrically, from the properties of the manifold in such manner that adiabatic invariant of field is ET=6x10(-27)=h. Electrodynamic equations on the Finslerian manifold are suggested. It is stressed that quantization naturally appears from these equations and is provoked by adiabatically changed geometry of manifold. We consider in details tw...

  17. Global adiabaticity and non-Gaussianity consistency condition

    CERN Document Server

    Romano, Antonio Enea; Sasaki, Misao

    2016-01-01

    In the context of single-field inflation, the conservation of the curvature perturbation on comoving slices, $R_c$, on super-horizon scales is one of the assumptions necessary to derive the consistency condition between the squeezed limit of the bispectrum and the spectrum of the primordial curvature perturbation. However, the conservation of $R_c$ holds only after the perturbation has reached the adiabatic limit where the constant mode of $R_c$ dominates over the other (usually decaying) mode. In this case, the non-adiabatic pressure perturbation defined in the thermodynamic sense, $\\delta P_{nad}\\equiv\\delta P-c_w^2\\delta\\rho$ where $c_w^2=\\dot P/\\dot\\rho$, usually becomes also negligible on superhorizon scales. Therefore one might think that the adiabatic limit is the same as thermodynamic adiabaticity. This is in fact not true. In other words, thermodynamic adiabaticity is not a sufficient condition for the conservation of $R_c$ on super-horizon scales. In this paper, we consider models that satisfies $\\d...

  18. Interplay between electric and magnetic effect in adiabatic polaritonic systems

    KAUST Repository

    Alabastri, Alessandro

    2013-01-01

    We report on the possibility of realizing adiabatic compression of polaritonic wave on a metallic conical nano-structure through an oscillating electric potential (quasi dynamic regime). By comparing this result with an electromagnetic wave excitation, we were able to relate the classical lighting-rod effect to adiabatic compression. Furthermore, we show that while the magnetic contribution plays a marginal role in the formation of adiabatic compression, it provides a blue shift in the spectral region. In particular, magnetic permeability can be used as a free parameter for tuning the polaritonic resonances. The peculiar form of adiabatic compression is instead dictated by both the source and the metal permittivity. The analysis is performed by starting from a simple electrostatic system to end with the complete electromagnetic one through intermediate situations such as the quasi-electrostatic and quasi-dynamic regimes. Each configuration is defined by a particular set of equations which allows to clearly determine the individual role played by the electric and magnetic contribution in the generation of adiabatic compression. We notice that these findings can be applied for the realization of a THz nano-metric generator. © 2013 Optical Society of America.

  19. Nonadiabatic dynamics of floppy hydrogen bonded complexes: the case of the ionized ammonia dimer.

    Science.gov (United States)

    Chalabala, Jan; Slavíček, Petr

    2016-07-27

    In the case of the ammonia dimer, we address the following questions: how ultrafast ionization dynamics is controlled by hydrogen bonding and whether we can control the products via selective ionization of a specific electron. We use quantum chemical calculations and ab initio non-adiabatic molecular dynamics simulations to model the femtosecond dynamics of the ammonia dimer upon ionization. The role of nuclear quantum effects and thermal fluctuations in predicting the structure of the dimer is emphasized; it is shown that the minimum energy and vibrationally averaged structures are rather different. The ground state structure subsequently controls the ionization dynamics. We describe reaction pathways, electronic population transfers and reaction yields with respect to ionization from different molecular orbitals. The simulations showed that the ionized ammonia dimer is highly unstable and its decay rate is primarily driven by the position of the electron hole. In the case of ground state ionization (i.e. the HOMO electron is ionized), the decay is likely to be preceded by a proton transfer (PT) channel yielding NH4(+) and NH2˙ fragments. The PT is less intense and slower compared with the ionized water dimer. After ionizing deeper lying electrons, mainly NH3(+)˙ and NH3 fragments are formed. Overall, our results show that the ionization dynamics of the ammonia and water dimers differ due to the nature of the hydrogen bond in these systems. PMID:27402376

  20. Integrated polarization rotator/converter by stimulated Raman adiabatic passage.

    Science.gov (United States)

    Xiong, Xiao; Zou, Chang-Ling; Ren, Xi-Feng; Guo, Guang-Can

    2013-07-15

    We proposed a polarization rotator inspired by stimulated Raman adiabatic passage model from quantum optics, which is composed of a signal waveguide and an ancillary waveguide. The two orthogonal modes in signal waveguide and the oblique mode in ancillary waveguide form a Λ-type three-level system. By controlling the width of signal waveguide and the gap between two waveguides, adiabatic conversion between two orthogonal modes can be realized in the signal waveguide. With such adiabatic passage, polarization conversion is completed within 150 μm length, with the efficiencies over 99% for both conversions between horizontal polarization and vertical polarization. In addition, such a polarization rotator is quite robust against fabrication error, allowing a wide range of tolerances for the rotator geometric parameters. Our work is not only significative to photonic simulations of coherent quantum phenomena with engineered photonic waveguides, but also enlightens the practical applications of these phenomena in optical device designs. PMID:23938558

  1. Semiclassical approximations for adiabatic slow-fast systems

    CERN Document Server

    Teufel, Stefan

    2012-01-01

    In this letter we give a systematic derivation and justification of the semiclassical model for the slow degrees of freedom in adiabatic slow-fast systems first found by Littlejohn and Flynn [5]. The classical Hamiltonian obtains a correction due to the variation of the adiabatic subspaces and the symplectic form is modified by the curvature of the Berry connection. We show that this classical system can be used to approximate quantum mechanical expectations and the time-evolution of operators also in sub-leading order in the combined adiabatic and semiclassical limit. In solid state physics the corresponding semiclassical description of Bloch electrons has led to substantial progress during the recent years, see [1]. Here, as an illustration, we show how to compute the Piezo-current arising from a slow deformation of a crystal in the presence of a constant magnetic field.

  2. Analysis and Simulation of Adiabatic Bend Transitions in Optical Fibers

    Institute of Scientific and Technical Information of China (English)

    YAO Lei; LOU Shu-Qin; JIAN Shui-Sheng

    2009-01-01

    A low-loss criterion for bend transitions in optical fibers is proposed. An optical fiber can be tightly bent with low loss to be adiabatic for the fundamental mode, provided that an approximate upper bound on the rate of change of bend curvature for a given bend curvature is satisfied. Two typical adiabatic bend transition paths, the optimum profile and linear profile, are analyzed and studied numerically. A realizable adiabatic transition with an Archimedean spiral profile is introduced for low bend loss in tightly bent optical fibers. Design of the transitions is based on modeling of the propagation and coupling characteristics of the core and cladding modes,which clearly illustrate the physical processes involved.

  3. Adiabatic Quantum Computation is Equivalent to Standard Quantum Computation

    CERN Document Server

    Aharonov, D; Kempe, J; Landau, Z; Lloyd, S; Regev, O; Aharonov, Dorit; Dam, Wim van; Kempe, Julia; Landau, Zeph; Lloyd, Seth; Regev, Oded

    2004-01-01

    Adiabatic quantum computation has recently attracted attention in the physics and computer science communities, but its computational power has been unknown. We settle this question and describe an efficient adiabatic simulation of any given quantum algorithm, which implies that the adiabatic computation model and the conventional quantum circuit model are polynomially equivalent. Our result can be extended to the physically realistic setting of particles arranged on a two-dimensional grid with nearest neighbor interactions. The equivalence between the models provides a new vantage point from which to tackle the central issues in quantum computation, namely designing new quantum algorithms and constructing fault tolerant quantum computers. In particular, by translating the main open questions in quantum algorithms to the language of spectral gaps of sparse matrices, the result makes quantum algorithmic questions accessible to a wider scientific audience, acquainted with mathematical physics, expander theory a...

  4. Adiabaticity and gravity theory independent conservation laws for cosmological perturbations

    CERN Document Server

    Romano, Antonio Enea; Sasaki, Misao

    2015-01-01

    We carefully study the implications of adiabaticity for the behavior of cosmological perturbations. There are essentially three similar but different definitions of non-adiabaticity: one is appropriate for a thermodynamic fluid $\\delta P_{nad}$, another is for a general matter field $\\delta P_{c,nad}$, and the last one is valid only on superhorizon scales. The first two definitions coincide if $c_s^2=c_w^2$ where $c_s$ is the propagation speed of the perturbation, while $c_w^2=\\dot P/\\dot\\rho$. Assuming the adiabaticity in the general sense, $\\delta P_{c,nad}=0$, we derive a relation between the lapse function in the comoving slicing $A_c$ and $\\delta P_{nad}$ valid for arbitrary matter field in any theory of gravity, by using only momentum conservation. The relation implies that as long as $c_s\

  5. Global adiabaticity and non-Gaussianity consistency condition

    Science.gov (United States)

    Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao

    2016-10-01

    In the context of single-field inflation, the conservation of the curvature perturbation on comoving slices, Rc, on super-horizon scales is one of the assumptions necessary to derive the consistency condition between the squeezed limit of the bispectrum and the spectrum of the primordial curvature perturbation. However, the conservation of Rc holds only after the perturbation has reached the adiabatic limit where the constant mode of Rc dominates over the other (usually decaying) mode. In this case, the non-adiabatic pressure perturbation defined in the thermodynamic sense, δPnad ≡ δP - cw2 δρ where cw2 = P ˙ / ρ ˙ , usually becomes also negligible on superhorizon scales. Therefore one might think that the adiabatic limit is the same as thermodynamic adiabaticity. This is in fact not true. In other words, thermodynamic adiabaticity is not a sufficient condition for the conservation of Rc on super-horizon scales. In this paper, we consider models that satisfy δPnad = 0 on all scales, which we call global adiabaticity (GA), which is guaranteed if cw2 = cs2 , where cs is the phase velocity of the propagation of the perturbation. A known example is the case of ultra-slow-roll (USR) inflation in which cw2 = cs2 = 1. In order to generalize USR we develop a method to find the Lagrangian of GA K-inflation models from the behavior of background quantities as functions of the scale factor. Applying this method we show that there indeed exists a wide class of GA models with cw2 = cs2, which allows Rc to grow on superhorizon scales, and hence violates the non-Gaussianity consistency condition.

  6. Electronic structure and spectroscopy of nucleic acid bases: Ionization energies, ionization-induced structural changes, and photoelectron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Bravaya, Ksenia B.; Kostko, Oleg; Dolgikh, Stanislav; Landau, Arie; Ahmed, Musahid; Krylov, Anna I.

    2010-08-02

    We report high-level ab initio calculations and single-photon ionization mass spectrometry study of ionization of adenine (A), thymine (T), cytosine (C) and guanine (G). For thymine and adenine, only the lowest-energy tautomers were considered, whereas for cytosine and guanine we characterized five lowest-energy tautomeric forms. The first adiabatic and several vertical ionization energies were computed using equation-of-motion coupled-cluster method for ionization potentials with single and double substitutions. Equilibrium structures of the cationic ground states were characterized by DFT with the {omega}B97X-D functional. The ionization-induced geometry changes of the bases are consistent with the shapes of the corresponding molecular orbitals. For the lowest-energy tautomers, the magnitude of the structural relaxation decreases in the following series G > C > A > T, the respective relaxation energies being 0.41, 0.32, 0.25 and 0.20 eV. The computed adiabatic ionization energies (8.13, 8.89, 8.51-8.67 and 7.75-7.87 eV for A,T,C and G, respectively) agree well with the onsets of the photoionization efficiency (PIE) curves (8.20 {+-} 0.05, 8.95 {+-} 0.05, 8.60 {+-} 0.05 and 7.75 {+-} 0.05 eV). Vibrational progressions for the S{sub 0}-D{sub 0} vibronic bands computed within double-harmonic approximation with Duschinsky rotations are compared with previously reported experimental photoelectron spectra.

  7. Quantum Adiabatic Pumping by Modulating Tunnel Phase in Quantum Dots

    Science.gov (United States)

    Taguchi, Masahiko; Nakajima, Satoshi; Kubo, Toshihiro; Tokura, Yasuhiro

    2016-08-01

    In a mesoscopic system, under zero bias voltage, a finite charge is transferred by quantum adiabatic pumping by adiabatically and periodically changing two or more control parameters. We obtained expressions for the pumped charge for a ring of three quantum dots (QDs) by choosing the magnetic flux penetrating the ring as one of the control parameters. We found that the pumped charge shows a steplike behavior with respect to the variance of the flux. The value of the step heights is not universal but depends on the trajectory of the control parameters. We discuss the physical origin of this behavior on the basis of the Fano resonant condition of the ring.

  8. Microstructure evolution mechanism in adiabatic shear band in TA2

    Institute of Scientific and Technical Information of China (English)

    杨扬; 熊俊; 杨续跃

    2004-01-01

    The micro structure evolution mechanism in adiabatic shear band in commercial pure titanium (TA2) at high strain rates(γ≈105 - 106/s) were studied. The nanosized recrystallized grains (about 50 nm in diameter) within the center of adiabatic shear band (ASB) were observed by means of transmission electronic microscope (TEM). A Rotational Dynamic Recrystallization (RDR) mechanism can explain the microstructure evolution (i. e. nanosized grains were formed within 5 - 10μs) in ASB. Kinetics calculations indicate that the recrystallized small grains are formed during the deformation and don't undergo significant growth by grain boundary migration after deformation.

  9. Non-adiabatic pumping through interacting quantum dots

    OpenAIRE

    Cavaliere, Fabio; Governale, Michele; König, Jürgen

    2009-01-01

    We study non-adiabatic two-parameter charge and spin pumping through a single-level quantum dot with Coulomb interaction. For the limit of weak tunnel coupling and in the regime of pumping frequencies up to the tunneling rates, $\\Omega \\lesssim \\Gamma/\\hbar$, we perform an exact resummation of contributions of all orders in the pumping frequency. As striking non-adiabatic signatures, we find frequency-dependent phase shifts in the charge and spin currents, which allow for an effective single-...

  10. Nanoscale resolution for fluorescence microscopy via adiabatic passage

    CERN Document Server

    Rubio, Juan Luis; Ahufinger, Verònica; Mompart, Jordi

    2015-01-01

    We propose the use of the subwavelength localization via adiabatic passage technique for fluorescence microscopy with nanoscale resolution in the far field. This technique uses a {\\Lambda}-type medium coherently coupled to two laser pulses: the pump, with a node in its spatial profile, and the Stokes. The population of the {\\Lambda} system is adiabatically transferred from one ground state to the other except at the node position, yielding a narrow population peak. This coherent localization allows fluorescence imaging with nanometer lateral resolution. We derive an analytical expression to asses the resolution and perform a comparison with the coherent population trapping and the stimulated-emission-depletion techniques.

  11. Foodstuffs preservation by ionization

    International Nuclear Information System (INIS)

    This document contains all the papers presented at the meeting on foodstuffs preservation by ionization. These papers deal especially with the food ionization process, its development and the view of the food industry on ionization. Refs and figs (F.M.)

  12. Ionization Energies of Lanthanides

    Science.gov (United States)

    Lang, Peter F.; Smith, Barry C.

    2010-01-01

    This article describes how data are used to analyze the pattern of ionization energies of the lanthanide elements. Different observed pathways of ionization between different ground states are discussed, and the effects of pairing, exchange, and orbital interactions on ionization energies of the lanthanides are evaluated. When all the above…

  13. Top-down synthesized TiO2 nanowires as a solid matrix for surface-assisted laser desorption/ionization time-of-flight (SALDI-TOF) mass spectrometry

    International Nuclear Information System (INIS)

    Highlights: • TiO2 nanowires were synthesized as a solid matrix for SALDI-TOF MS by hydrothermal process. • The optimal crystal structure of TiO2 nanowires for SALDI-TOF MS were analyzed. • The feasibility TiO2 nanowires for SALDI-TOF MS was demonstrated for the analysis of amino acids and peptides. - Abstract: Top-down synthesized TiO2 nanowires are presented as an ideal solid matrix to analyze small biomolecules at a m/z of less than 500. The TiO2 nanowires were synthesized as arrays using a modified hydrothermal process directly on the surface of a Ti plate. Finally, the feasibility of the TiO2 nanowires in the anatase phase as a solid matrix. The crystal and electronic structures of the top-down TiO2 nanowires were analyzed at each step of the hydrothermal process, and the optimal TiO2 nanowires were identified by checking their performance toward the ionization of analytes in surface-assisted laser desorption/ionization time-of-flight (SALDI-TOF) mass spectrometry. Finally, the feasibility of the TiO2 nanowires in the anatase phase as a solid matrix for SALDI-TOF mass spectrometry was demonstrated using eight types of amino acids and peptides as model analytes

  14. Trace element mass balance in hydrous adiabatic mantle melting: The Hydrous Adiabatic Mantle Melting Simulator version 1 (HAMMS1)

    Science.gov (United States)

    Kimura, Jun-Ichi; Kawabata, Hiroshi

    2014-06-01

    numerical mass balance calculation model for the adiabatic melting of a dry to hydrous peridotite has been programmed in order to simulate the trace element compositions of basalts from mid-ocean ridges, back-arc basins, ocean islands, and large igneous provinces. The Excel spreadsheet-based calculator, Hydrous Adiabatic Mantle Melting Simulator version 1 (HAMMS1) uses (1) a thermodynamic model of fractional adiabatic melting of mantle peridotite, with (2) the parameterized experimental melting relationships of primitive to depleted mantle sources in terms of pressure, temperature, water content, and degree of partial melting. The trace element composition of the model basalt is calculated from the accumulated incremental melts within the adiabatic melting regime, with consideration for source depletion. The mineralogic mode in the primitive to depleted source mantle in adiabat is calculated using parameterized experimental results. Partition coefficients of the trace elements of mantle minerals are parameterized to melt temperature mostly from a lattice strain model and are tested using the latest compilations of experimental results. The parameters that control the composition of trace elements in the model are as follows: (1) mantle potential temperature, (2) water content in the source mantle, (3) depth of termination of adiabatic melting, and (4) source mantle depletion. HAMMS1 enables us to obtain the above controlling parameters using Monte Carlo fitting calculations and by comparing the calculated basalt compositions to primary basalt compositions. Additionally, HAMMS1 compares melting parameters with a major element model, which uses petrogenetic grids formulated from experimental results, thus providing better constraints on the source conditions.

  15. Comparison of sodium naphthenate and air-ionization corona discharge as surface treatments for the ethylene-tetrafluoroethylene polymer (ETFE) to improve adhesion between ETFE and acrylonitrile-butadiene-styrene polymer (ABS) in the presence of a cyanoacrylate adhesive (CAA)

    Science.gov (United States)

    Lucía Johanning-Solís, Ana; Stradi-Granados, Benito A.

    2014-09-01

    This study compares two ethylene-tetrafluoroethylene (ETFE) surface activation treatments, namely chemical attack with a solution of sodium naphthenate and plasma erosion via air-ionization corona discharge in order to improve the adhesive properties of the ETFE. An experimental design was prepared for both treatments in order to assess the effect of the treatment characteristics on the tensile load needed to break the bond between the ETFE and the acrylonitrile-butadiene-styrene polymer (ABS) formed with a cyanoacrylate adhesive (CAA) applied between them. The reason for the selection of this problem is that both polymers are frequently used in the biomedical industry for their properties, and they need to be joined firmly in biomedical devices, and the cyanoacrylate adhesive is the adhesive traditionally used for fluoropolymers, in this case the ETFE, and the same CAA has also shown good adhesion with ABS. However, the strength of the bond for the triplet ETFE-CAA-ABS has not been reported and the improvement of the strength of the bond with surface treatments is not found in scholarly journals for modern medical devices such as stents and snares. Both treatments were compared based on the aforementioned design of experiments. The case where ETFE receives no surface treatment serves as the reference. The results indicated that the three factors evaluated (initial drying of the material, temperature of the chemical bath, and immersion time), and their interactions have no significant effect over the tensile load at failure (tensile strength) of the adhesive bond being evaluated. For the air-ionization corona discharge treatment, two factors were evaluated: discharge exposition time and air pressure. The results obtained from this experimental design indicate that there is no significant difference between the levels of the factors evaluated. These results were unexpected as the ranges used were representative of the maximum ranges permissible in manufacturing

  16. Physics of Partially Ionized Plasmas

    Science.gov (United States)

    Krishan, Vinod

    2016-05-01

    Figures; Preface; 1. Partially ionized plasmas here and everywhere; 2. Multifluid description of partially ionized plasmas; 3. Equilibrium of partially ionized plasmas; 4. Waves in partially ionized plasmas; 5. Advanced topics in partially ionized plasmas; 6. Research problems in partially ionized plasmas; Supplementary matter; Index.

  17. Adiabatic CMB perturbations in pre-big bang string cosmology

    DEFF Research Database (Denmark)

    Enqvist, Kari; Sloth, Martin Snoager

    2001-01-01

    We consider the pre-big bang scenario with a massive axion field which starts to dominate energy density when oscillating in an instanton-induced potential and subsequently reheats the universe as it decays into photons, thus creating adiabatic CMB perturbations. We find that the fluctuations...

  18. Fast Quasi-Adiabatic Gas Cooling: An Experiment Revisited

    Science.gov (United States)

    Oss, S.; Gratton, L. M.; Calza, G.; Lopez-Arias, T.

    2012-01-01

    The well-known experiment of the rapid expansion and cooling of the air contained in a bottle is performed with a rapidly responsive, yet very cheap thermometer. The adiabatic, low temperature limit is approached quite closely and measured with our apparatus. A straightforward theoretical model for this process is also presented and discussed.…

  19. High beta lasing in micropillar cavities with adiabatic layer design

    DEFF Research Database (Denmark)

    Lermer, M.; Gregersen, Niels; Lorke, M.;

    2013-01-01

    We report on lasing in optically pumped adiabatic micropillar cavities, based on the AlAs/GaAs material system. A detailed study of the threshold pump power and the spontaneous emission β factor in the lasing regime for different diameters dc is presented. We demonstrate a reduction of the thresh...

  20. Digitized adiabatic quantum computing with a superconducting circuit.

    Science.gov (United States)

    Barends, R; Shabani, A; Lamata, L; Kelly, J; Mezzacapo, A; Las Heras, U; Babbush, R; Fowler, A G; Campbell, B; Chen, Yu; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Lucero, E; Megrant, A; Mutus, J Y; Neeley, M; Neill, C; O'Malley, P J J; Quintana, C; Roushan, P; Sank, D; Vainsencher, A; Wenner, J; White, T C; Solano, E; Neven, H; Martinis, John M

    2016-06-01

    Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable. PMID:27279216

  1. Adiabatic frequency conversion with a sign flip in the coupling

    Science.gov (United States)

    Hristova, H. S.; Rangelov, A. A.; Montemezzani, G.; Vitanov, N. V.

    2016-09-01

    Adiabatic frequency conversion is a method recently developed in nonlinear optics [H. Suchowski, D. Oron, A. Arie, and Y. Silberberg, Phys. Rev. A 78, 063821 (2008), 10.1103/PhysRevA.78.063821], using ideas from the technique of rapid adiabatic passage (RAP) via a level crossing in quantum physics. In this method, the coupling coefficients are constant and the phase mismatch is chirped adiabatically. In this work, we propose another method for adiabatic frequency conversion, in which the phase mismatch is constant and the coupling is a pulse-shaped function with a sign flip (i.e., a phase step of π ) at its maximum. Compared to the RAP method, our technique has comparable efficiency but it is simpler to implement for it only needs two bulk crystals with opposite χ(2 ) nonlinearity. Moreover, because our technique requires constant nonzero frequency mismatch and has zero conversion efficiency on exact frequency matching, it can be used as a frequency filter.

  2. Digitized adiabatic quantum computing with a superconducting circuit

    Science.gov (United States)

    Barends, R.; Shabani, A.; Lamata, L.; Kelly, J.; Mezzacapo, A.; Heras, U. Las; Babbush, R.; Fowler, A. G.; Campbell, B.; Chen, Yu; Chen, Z.; Chiaro, B.; Dunsworth, A.; Jeffrey, E.; Lucero, E.; Megrant, A.; Mutus, J. Y.; Neeley, M.; Neill, C.; O'Malley, P. J. J.; Quintana, C.; Roushan, P.; Sank, D.; Vainsencher, A.; Wenner, J.; White, T. C.; Solano, E.; Neven, H.; Martinis, John M.

    2016-06-01

    Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable.

  3. A Quantum Adiabatic Algorithm for Factorization and Its Experimental Implementation

    OpenAIRE

    Peng, Xinhua; Liao, Zeyang; Xu, Nanyang; Qin, Gan; Zhou, Xianyi; Suter, Dieter; Du, Jiangfeng

    2008-01-01

    We propose an adiabatic quantum algorithm capable of factorizing numbers, using fewer qubits than Shor's algorithm. We implement the algorithm in an NMR quantum information processor and experimentally factorize the number 21. Numerical simulations indicate that the running time grows only quadratically with the number of qubits.

  4. When an Adiabatic Irreversible Expansion or Compression Becomes Reversible

    Science.gov (United States)

    Anacleto, Joaquim; Ferreira, J. M.; Soares, A. A.

    2009-01-01

    This paper aims to contribute to a better understanding of the concepts of a "reversible process" and "entropy". For this purpose, an adiabatic irreversible expansion or compression is analysed, by considering that an ideal gas is expanded (compressed), from an initial pressure P[subscript i] to a final pressure P[subscript f], by being placed in…

  5. Evolutions of Yang Phase Under Cyclic Condition and Adiabatic Condition

    Institute of Scientific and Technical Information of China (English)

    QIAN Shang-Wu; GU Zhi-Yu

    2005-01-01

    There are three non-integrable phases in literatures: Berry phase, Aharonov-Anandan phase, and Yang phase. This article discusses the evolutions of Yang phase under the cyclic condition and the adiabatic condition for the generaltime-dependent harmonic oscillator, thus reveals the intimate relations between these three non-integrable phases.

  6. Flat FRW Cosmologies with Adiabatic Matter Creation Kinematic tests

    CERN Document Server

    Lima, J A S

    1999-01-01

    Some observational consequences of a cosmological scenario driven by adiabatic matter creation are investigated. Exact expressions for the lookback time, age of the universe, luminosity distance, angular diameter, and galaxy number counts redshift relations are derived and their meaning discussed in detail. The expressions of the conventional FRW models are significantly modified and provide a powerful method to limit the parameters of the models.

  7. A Kinetic Study of the Adiabatic Polymerization of Acrylamide.

    Science.gov (United States)

    Thomson, R. A. M.

    1986-01-01

    Discusses theory, procedures, and results for an experiment which demonstrates the application of basic physics to chemical problems. The experiment involves the adiabatic process, in which polymerization carried out in a vacuum flask is compared to the theoretical prediction of the model with the temperature-time curve obtained in practice. (JN)

  8. Evolutions of Yang Phase Under Cyclic Condition and Adiabatic Condition

    International Nuclear Information System (INIS)

    There are three non-integrable phases in literatures: Berry phase, Aharonov-Anandan phase, and Yang phase. This article discusses the evolutions of Yang phase under the cyclic condition and the adiabatic condition for the general time-dependent harmonic oscillator, thus reveals the intimate relations between these three non-integrable phases.

  9. Dark Energy and Dark Matter from an additional adiabatic fluid

    CERN Document Server

    Dunsby, Peter K S; Reverberi, Lorenzo

    2016-01-01

    The Dark Sector is described by an additional barotropic fluid which evolves adiabatically during the universe's history and whose adiabatic exponent $\\gamma$ is derived from the standard definitions of specific heats. Although in general $\\gamma$ is a function of the redshift, the Hubble parameter and its derivatives, we find that our assumptions lead necessarily to solutions with $\\gamma = $ constant in a FLRW universe. The adiabatic fluid acts effectively as the sum of two distinct components, one evolving like non-relativistic matter and the other depending on the value of the adiabatic index. This makes the model particularly interesting as a way of simultaneously explaining the nature of both Dark Energy and Dark Matter, at least at the level of the background cosmology. The $\\Lambda$CDM model is included in this family of theories when $\\gamma = 0$. We fit our model to SNIa, $H(z)$ and BAO data, discussing the model selection criteria. The implications for the early-universe and the growth of small per...

  10. Digitized adiabatic quantum computing with a superconducting circuit.

    Science.gov (United States)

    Barends, R; Shabani, A; Lamata, L; Kelly, J; Mezzacapo, A; Las Heras, U; Babbush, R; Fowler, A G; Campbell, B; Chen, Yu; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Lucero, E; Megrant, A; Mutus, J Y; Neeley, M; Neill, C; O'Malley, P J J; Quintana, C; Roushan, P; Sank, D; Vainsencher, A; Wenner, J; White, T C; Solano, E; Neven, H; Martinis, John M

    2016-06-08

    Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable.

  11. Ionization photophysics and spectroscopy of cyanoacetylene

    Energy Technology Data Exchange (ETDEWEB)

    Leach, Sydney; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Garcia, Gustavo A.; Fray, Nicolas; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192, Gif-sur-Yvette Cedex (France); Mahjoub, Ahmed; Bénilan, Yves; Gazeau, Marie-Claire; Schwell, Martin [LISA UMR CNRS 7583, Université Paris Est Créteil and Université Paris Diderot, Institut Pierre Simon Laplace, 61 Avenue du Général de Gaulle, 94010 Créteil (France)

    2014-05-07

    Photoionization of cyanoacetylene was studied using synchrotron radiation over the non-dissociative ionization excitation range 11–15.6 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of cyanoacetylene was measured as 11.573 ± 0.010 eV. A detailed analysis of photoelectron spectra of HC{sub 3}N involves new aspects and new assignments of the vibrational components to excitation of the A{sup 2}Σ{sup +} and B{sup 2}Π states of the cation. Some of the structured autoionization features observed in the 11.94 to 15.5 eV region of the total ion yield (TIY) spectrum were assigned to two Rydberg series converging to the B{sup 2}Π state of HC{sub 3}N{sup +}. A number of the measured TIY features are suggested to be vibrational components of Rydberg series converging to the C{sup 2}Σ{sup +} state of HC{sub 3}N{sup +} at ≈17.6 eV and others to valence shell transitions of cyanoacetylene in the 11.6–15 eV region. The results of quantum chemical calculations of the cation electronic state geometries, vibrational frequencies and energies, as well as of the C–H dissociation potential energy profiles of the ground and electronic excited states of the ion, are compared with experimental observations. Ionization quantum yields are evaluated and discussed and the problem of adequate calibration of photoionization cross-sections is raised.

  12. Simplified sample preparation method for protein identification by matrix-assisted laser desorption/ionization mass spectrometry: in-gel digestion on the probe surface

    DEFF Research Database (Denmark)

    Stensballe, A; Jensen, Ole Nørregaard

    2001-01-01

    Identification and detailed characterization of complex mixtures of proteins separated by polyacrylamide gel electrophoresis (PAGE) require optimized and robust methods for interfacing electrophoretic techniques to mass spectrometry. Peptide mapping by matrix-assisted laser desorption/ionization-......Identification and detailed characterization of complex mixtures of proteins separated by polyacrylamide gel electrophoresis (PAGE) require optimized and robust methods for interfacing electrophoretic techniques to mass spectrometry. Peptide mapping by matrix-assisted laser desorption...... for protein identification similar to that obtained by the traditional protocols for in-gel digestion and MALDI peptide mass mapping of human proteins, i.e. approximately 60%. The overall performance of the novel on-probe digestion method is comparable with that of the standard in-gel sample preparation...

  13. Hole dynamics and spin currents after ionization in strong circularly polarized laser fields

    International Nuclear Information System (INIS)

    We apply the time-dependent analytical R-matrix theory to develop a movie of hole motion in a Kr atom upon ionization by strong circularly polarized field. We find rich hole dynamics, ranging from rotation to swinging motion. The motion of the hole depends on the final energy and the spin of the photoelectron and can be controlled by the laser frequency and intensity. Crucially, hole rotation is a purely non-adiabatic effect, completely missing in the framework of quasistatic (adiabatic) tunneling theories. We explore the possibility to use hole rotation as a clock for measuring ionization time. Analyzing the relationship between the relative phases in different ionization channels we show that in the case of short-range electron-core interaction the hole is always initially aligned along the instantaneous direction of the laser field, signifying zero delays in ionization. Finally, we show that strong-field ionization in circular fields creates spin currents (i.e. different flow of spin-up and spin-down density in space) in the ions. This phenomenon is intimately related to the production of spin-polarized electrons in strong laser fields Barth and Smirnova (2013 Phys. Rev. A 88 013401). We demonstrate that rich spin dynamics of electrons and holes produced during strong field ionization can occur in typical experimental conditions and does not require relativistic intensities or strong magnetic fields. (paper)

  14. Scattering of a proton with the Li4 cluster: Non-adiabatic molecular dynamics description based on time-dependent density-functional theory

    International Nuclear Information System (INIS)

    Graphical abstract: Two trajectories for the collision of a proton with the Lithium tetramer. On the left, the proton is scattered away, and a Li2 molecule plus two isolated Lithium atoms result. On the right, the proton is captured and a LiH molecule is created. Highlights: ► Scattering of a proton with Lithium clusters described from first principles. ► Description based on non-adiabatic molecular dynamics. ► The electronic structure is described with time-dependent density-functional theory. ► 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 Li4 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.

  15. Ionizing Radiation and Life

    OpenAIRE

    Dartnell, L. R.

    2011-01-01

    Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and ...

  16. Abnormal ionization in sonoluminescence

    Institute of Scientific and Technical Information of China (English)

    张文娟; 安宇

    2015-01-01

    Sonoluminescence is a complex phenomenon, the mechanism of which remains unclear. The present study reveals that an abnormal ionization process is likely to be present in the sonoluminescing bubble. To fit the experimental data of previous studies, we assume that the ionization energies of the molecules and atoms in the bubble decrease as the gas density increases and that the decrease of the ionization energy reaches about 60%–70%as the bubble flashes, which is difficult to explain by using previous models.

  17. Positronium formation and ionization in slow positron-hydrogen atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Janev, R.K. [International Atomic Energy Agency, PO Box 100, A-1400 Vienna (Austria); Solov' ev, E.A. [Research Centre for Energy and Informatics, Macedonian Academy of Sciences and Arts, PO Box 428, 9100 Skopje (Macedonia, The Former Yugoslav Republic of)

    1999-07-14

    The electron capture and ionization processes in slow collisions of positrons with hydrogen atoms are considered within the advanced adiabatic approach to atomic collisions. The mass asymmetry of the (p,e{sup -},e{sup +}) collision system is properly taken into account. The calculated positronium formation and ionization cross sections compare favourably with the available experimental data in the adiabatic energy region. It is shown that the potential energy curve of the 2p {sigma} molecular state supports a quasi-bound level of the three-particle (p,e{sup +},e{sup -}) system with an energy of -0.3 eV and decay width of 0.15 eV, approximately. (author)

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

    Science.gov (United States)

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

    2015-10-14

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

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

    Science.gov (United States)

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

    2015-10-14

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

  20. Electronic structures of TiO2-TCNE, -TCNQ, and -2,6-TCNAQ surface complexes studied by ionization potential measurements and DFT calculations: Mechanism of the shift of interfacial charge-transfer bands

    Science.gov (United States)

    Fujisawa, Jun-ichi; Hanaya, Minoru

    2016-06-01

    Interfacial charge-transfer (ICT) transitions between inorganic semiconductors and π-conjugated molecules allow direct charge separation without loss of energy. This feature is potentially useful for efficient photovoltaic conversions. Charge-transferred complexes of TiO2 nanoparticles with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its analogues (TCNX) show strong ICT absorption in the visible region. The ICT band was reported to be significantly red-shifted with extension of the π-conjugated system of TCNX. In order to clarify the mechanism of the red-shift, in this work, we systematically study electronic structures of the TiO2-TCNX surface complexes (TCNX; TCNE, TCNQ, 2,6-TCNAQ) by ionization potential measurements and density functional theory (DFT) calculations.

  1. Sensitive Detection of Aromatic Hydrophobic Compounds in Water and Perfluorooctane Sulfonate in Human Serum by Surface-Assisted Laser Desorption/Ionization Mass Spectrometry (SALDI-MS) with Amine Functionalized Graphene-Coated Cobalt Nanoparticles.

    Science.gov (United States)

    Nakai, Keisuke; Kawasaki, Hideya; Yamamoto, Atsushi; Arakawa, Ryuichi; Grass, Robert N; Stark, Wendelin J

    2014-01-01

    In this article, we describe the application of surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS) with the use of amine functionalized graphene-coated cobalt nanoparticles (CoC-NH2 nanoparticles) to analyse aromatic hydrophobic compounds that are known environmental contaminants, including polycyclic aromatic hydrocarbons (PAHs) and pentachlorophenol (PCP). Our results demonstrated that SALDI-MS can detect PCP, anthracene, and pyrene in water. In particular, the CoC-NH2 nanoparticles proved to be an efficient means of capturing PCP in water because of the high adsorption capacity of the nanoparticles for PCP, which resulted in a detectability of 100 ppt. Furthermore, the CoC-NH2 nanoparticles also functioned as an adsorbent for solid-phase extraction of perfluorooctane sulfonate (PFOS) from human serum, displaying good performance with a detectability of 10 ppb by SALDI-MS.

  2. Ionization photophysics and Rydberg spectroscopy of diacetylene

    KAUST Repository

    Schwell, Martin

    2012-11-01

    Photoionization of diacetylene was studied using synchrotron radiation over the range 8-24 eV, with photoelectron-photoion coincidence (PEPICO) and threshold photoelectron-photoion coincidence (TPEPICO) techniques. Mass spectra, ion yields, total and partial ionization cross-sections were measured. The adiabatic ionization energy of diacetylene was determined as IE ad=(10.17±0.01) eV, and the appearance energy of the principal fragment ion C4H+ as AE=(16.15±0.03) eV. Calculated appearance energies of other fragment ions were used to infer aspects of dissociation pathways forming the weaker fragment ions C+ 4, C3H+, C+3 and C 4H+. Structured autoionization features observed in the PEPICO spectrum of diacetylene in the 11-13 eV region were assigned to vibrational components of three new Rydberg series, R1(nsσg, n=4-11), R2(ndσg, n=4-7) and R3(ndδg, n=4-6) converging to the A2Πu state of the cation, and to a new series R01(nsσg, n=3) converging to the B\\' 2Σ+u state of the cation. The autoionization mechanisms and their consistence with specific selection rules are discussed. © 2012 Taylor and Francis.

  3. Semiclassical quantization via adiabatic switching. I. Choice of tori and initial conditions for two-dimensional systems

    Energy Technology Data Exchange (ETDEWEB)

    Zakrzewski, J.; Saini, S.; Taylor, H.S.

    1988-10-15

    A general theoretical base and a general strategy for implementing semiclassical quantization using the adiabatic-switching method are presented for two-dimensional systems. The method proposed does not depend on specialized coordinates, trajectory, or surfaces-of-section studies and is generalizable to multidimensional systems. The choice of the initial tori for the switching procedure is accomplished by simple diagonalizations of small-dimensional matrix representations of invariant operators obtained from perturbation theory. The method gives quantum energies at a useful level of accuracy for the vast majority of states in many of the well-known nonresonant and resonant Hamiltonian cases. Many eigenvalues previously thought unobtainable when the adiabatic-switching method is used are obtained in a quite simple manner.

  4. Adiabatic models of the cosmological radiative era

    CERN Document Server

    Sussman, R A; Sussman, Roberto A.; Ishak, Mustapha

    2001-01-01

    We consider a generalization of the Lemaitre-Tolman-Bondi (LTB) solutions by keeping the LTB metric but replacing its dust matter source by an imperfect fluid with anisotropic pressure $\\Pi_{ab} $. Assuming that total matter-energy density $\\rho$ is the sum of a rest mass term, $\\rhom$, plus a radiation $\\rhor=3p$ density where $p$ is the isotropic pressure, Einstein's equations are fully integrated without having to place any previous assumption on the form of $\\Pi_{ab} $. Three particular cases of interest are contained: the usual LTB dust solutions (the dust limit), a class of FLRW cosmologies (the homogeneous limit) and of the Vaydia solution (the vacuum limit). Initial conditions are provided in terms of suitable averages and contrast functions of the initial densities of $\\rhom, \\rhor$ and the 3-dimensional Ricci scalar along an arbitrary initial surface $t=t_i$. We consider the source of the models as an interactive radiation-matter mixture in local thermal equilibrium that must be consistent with caus...

  5. Accurate Non-adiabatic Quantum Dynamics from Pseudospectral Sampling of Time-dependent Gaussian Basis Sets

    CERN Document Server

    Heaps, Charles W

    2016-01-01

    Quantum molecular dynamics requires an accurate representation of the molecular potential energy surface from a minimal number of electronic structure calculations, particularly for nonadiabatic dynamics where excited states are required. In this paper, we employ pseudospectral sampling of time-dependent Gaussian basis functions for the simulation of non-adiabatic dynamics. Unlike other methods, the pseudospectral Gaussian molecular dynamics tests the Schr\\"{o}dinger equation with $N$ Dirac delta functions located at the centers of the Gaussian functions reducing the scaling of potential energy evaluations from $\\mathcal{O}(N^2)$ to $\\mathcal{O}(N)$. By projecting the Gaussian basis onto discrete points in space, the method is capable of efficiently and quantitatively describing nonadiabatic population transfer and intra-surface quantum coherence. We investigate three model systems; the photodissociation of three coupled Morse oscillators, the bound state dynamics of two coupled Morse oscillators, and a two-d...

  6. Crack propagation of Ti alloy via adiabatic shear bands

    International Nuclear Information System (INIS)

    This study was focused on the characterization of the origin and mechanism of crack propagation as a result of hot induction bending of Ti alloy. Plates of Ti–6Al–4V alloy with 12.5 mm of thickness were submitted to hot induction bending below the beta transus temperature. Optical and scanning electron microscopy analysis showed crack formation in the tensile zone. Microstructural evidence showed that cracks propagate through the adiabatic shear bands by Dimple-Void mechanism. However, voids formation before shear banding also occurred. In both mechanisms adiabatic shear bands are formed via dynamic recrystallization where the alpha–beta interphase works as stress concentrator promoting the formation of dimples and voids

  7. On some issues of gravitationally induced adiabatic particle productions

    CERN Document Server

    Pan, Supriya; Pramanik, Souvik

    2016-01-01

    In this work, we investigate the current accelerating universe driven by the gravitationally induced adiabatic matter creation process. To elaborate the underlying cognitive content, here we consider three models of adiabatic particle creation and constrain the model parameters by fitting the models with the Union 2.1 data set using $\\chi^2$ minimization technique. The models are analyzed by two geometrical and model independent tests, viz., cosmography and $Om$-diagnostic, which are widely used to distinguish the cosmological models from $\\Lambda$CDM. We also compared present values of those model independent parameters with that of the flat $\\Lambda$CDM model. Finally, the validity of the generalized second law of thermodynamics and the condition of thermodynamic equilibrium for the particle production models have been tested.

  8. Steam bottoming cycle for an adiabatic diesel engine

    Science.gov (United States)

    Poulin, E.; Demier, R.; Krepchin, I.; Walker, D.

    1984-01-01

    Steam bottoming cycles using adiabatic diesel engine exhaust heat which projected substantial performance and economic benefits for long haul trucks were studied. Steam cycle and system component variables, system cost, size and performance were analyzed. An 811 K/6.90 MPa state of the art reciprocating expander steam system with a monotube boiler and radiator core condenser was selected for preliminary design. The costs of the diesel with bottoming system (TC/B) and a NASA specified turbocompound adiabatic diesel with aftercooling with the same total output were compared, the annual fuel savings less the added maintenance cost was determined to cover the increase initial cost of the TC/B system in a payback period of 2.3 years. Steam bottoming system freeze protection strategies were developed, technological advances required for improved system reliability are considered and the cost and performance of advanced systes are evaluated.

  9. Adiabatic compression of elongated field-reversed configurations

    International Nuclear Information System (INIS)

    The simplest model of plasma dynamics is the adiabatic model. In this model the plasma is assumed to be in MHD equilibrium at each instant of time. The equilibria are connected by the requirement that they all have the same entropy per unit flux, i.e., the equilibria form a sequence generated by adiabatic changes. The standard way of computing such a sequence of equilibria was developed by Grad, but its practical use requires a fairly complicated code. It would be helpful if approximately the same results could be gotten either with a much simpler code or by analytical techniques. A one-dimensional equilibrium code is described and its results are checked against a two-dimensional equilibrium. An even simpler analytic calculation is then presented

  10. Excitation energies along a range-separated adiabatic connection

    CERN Document Server

    Rebolini, Elisa; Teale, Andrew M; Helgaker, Trygve; Savin, Andreas

    2014-01-01

    We present a study of the variation of total energies and excitationenergies along a range-separated adiabatic connection. This connectionlinks the non-interacting Kohn-Sham electronic system to the physicalinteracting system by progressively switching on theelectron-electron interactions whilst simultaneously adjusting aone-electron effective potential so as to keep the ground-statedensity constant. The interactions are introduced in arange-dependent manner, first introducing predominantly long-range,and then all-range, interactions as the physical system is approached,as opposed to the conventional adiabatic connection where theinteractions are introduced by globally scaling the standard Coulomb interaction.Reference data are reported for the He and Be atoms and the H2molecule, obtained by calculating the short-range effective potentialat the full configuration-interaction level using Lieb'sLegendre-transform approach. As the strength of the electron-electroninteractions increases, the excitation energies, ...

  11. Improved Refrigerant Characteristics Flow Predictions in Adiabatic Capillary Tube

    Directory of Open Access Journals (Sweden)

    Shodiya Sulaimon

    2012-07-01

    Full Text Available This study presents improved refrigerant characteristics flow predictions using homogenous flow model in adiabatic capillary tube, used in small vapor compression refrigeration system. The model is based on fundamental equations of mass, momentum and energy. In order to improve the flow predictions, the inception of vaporization in the capillary tube is determined by evaluating initial vapor quality using enthalpy equation of refrigerant at saturation point and the inlet entrance effect of the capillary tube is also accounted for. Comparing this model with experimental data from open literature showed a reasonable agreement. Further comparison of this new model with earlier model of Bansal showed that the present model could be use to improve the performance predictions of refrigerant flow in adiabatic capillary tube.

  12. DESIGN OF TERNARY COUNTER BASED ON ADIABATIC DOMINO CIRCUIT

    Institute of Scientific and Technical Information of China (English)

    Yang Qiankun; Wang Pengjun; Zheng Xuesong

    2013-01-01

    By researching the ternary counter and low power circuit design method,a novel design of low power ternary Domino counter on switch-level is proposed.Firstly,the switch-level structure expression of ternary loop operation circuit with enable pin is derived according to the switch-signal theory,and the one bit ternary counter is obtained combining the ternary adiabatic Domino literal operation circuit and buffer.Then the switch-level structure expression of enable signal circuit is derived,and the four bits ternary counter is obtained by cascade connection.Finally,the circuit is simulated by Spice tool and the output waveforms transform in proper order indicating that the logic function is correct.The energy consumption of the four bits ternary adiabatic Domino counter is 63% less than the conventional Domino counterpart.

  13. Adiabatic theory of solitons fed by dispersive waves

    Science.gov (United States)

    Pickartz, Sabrina; Bandelow, Uwe; Amiranashvili, Shalva

    2016-09-01

    We consider scattering of low-amplitude dispersive waves at an intense optical soliton which constitutes a nonlinear perturbation of the refractive index. Specifically, we consider a single-mode optical fiber and a group velocity matched pair: an optical soliton and a nearly perfectly reflected dispersive wave, a fiber-optical analog of the event horizon. By combining (i) an adiabatic approach that is used in soliton perturbation theory and (ii) scattering theory from quantum mechanics, we give a quantitative account of the evolution of all soliton parameters. In particular, we quantify the increase in the soliton peak power that may result in the spontaneous appearance of an extremely large, so-called champion soliton. The presented adiabatic theory agrees well with the numerical solutions of the pulse propagation equation. Moreover, we predict the full frequency band of the scattered dispersive waves and explain an emerging caustic structure in the space-time domain.

  14. Crack propagation of Ti alloy via adiabatic shear bands

    Energy Technology Data Exchange (ETDEWEB)

    Mendoza, I., E-mail: ivanmendozabravo@gmail.com [Instituto Tecnológico de Veracruz (Mexico); Villalobos, D. [Instituto Tecnológico de Veracruz (Mexico); Alexandrov, B.T. [The Ohio State University (United States)

    2015-10-01

    This study was focused on the characterization of the origin and mechanism of crack propagation as a result of hot induction bending of Ti alloy. Plates of Ti–6Al–4V alloy with 12.5 mm of thickness were submitted to hot induction bending below the beta transus temperature. Optical and scanning electron microscopy analysis showed crack formation in the tensile zone. Microstructural evidence showed that cracks propagate through the adiabatic shear bands by Dimple-Void mechanism. However, voids formation before shear banding also occurred. In both mechanisms adiabatic shear bands are formed via dynamic recrystallization where the alpha–beta interphase works as stress concentrator promoting the formation of dimples and voids.

  15. Robust quantum logic in neutral atoms via adiabatic Rydberg dressing

    Science.gov (United States)

    Keating, Tyler; Cook, Robert L.; Hankin, Aaron M.; Jau, Yuan-Yu; Biedermann, Grant W.; Deutsch, Ivan H.

    2015-01-01

    We study a scheme for implementing a controlled-Z (cz) gate between two neutral-atom qubits based on the Rydberg blockade mechanism in a manner that is robust to errors caused by atomic motion. By employing adiabatic dressing of the ground electronic state, we can protect the gate from decoherence due to random phase errors that typically arise because of atomic thermal motion. In addition, the adiabatic protocol allows for a Doppler-free configuration that involves counterpropagating lasers in a σ+/σ- orthogonal polarization geometry that further reduces motional errors due to Doppler shifts. The residual motional error is dominated by dipole-dipole forces acting on doubly excited Rydberg atoms when the blockade is imperfect. For reasonable parameters, with qubits encoded into the clock states of 133Cs, we predict that our protocol could produce a cz gate in <10 μ s with error probability on the order of 10-3.

  16. A computational study of bond-breaking process of Cu-Si bond during ion sputtering of a Cu/Si(1 1 1) surface, based on molecular orbital theory

    International Nuclear Information System (INIS)

    A theoretical approach based on molecular orbital theory has been provided. By applying this theory to a bond-breaking process, the ionization probability of Cu adsobates sputtered from a ''5x5''-Cu/Si(1 1 1) surface has been studied. Three important aspects have been confirmed: (1) importance of a long range electrostatic potential such as the image potential, (2) importance of the coulomb repulsive potential between the Cu 4s spin-up and spin-down electron, and finally (3) acceleration and deceleration effects depending on charge state, which is a result of the interplay of the molecular bonding interaction and the long range electrostatic interaction. The measurements of ionization probability will provide us more information of the adiabatic potential curves of the reactants from the surfaces

  17. Can strong-field ionization prepare attosecond dynamics?

    CERN Document Server

    Pabst, Stefan

    2015-01-01

    Strong-field ionization (SFI) has been shown to prepare wave packets with few-femtosecond periods. Here, we explore whether this technique can be extended to the attosecond time scale. We introduce an intuitive model for predicting the bandwidth of ionic states that can be coherently prepared by SFI. This bandwidth is given by the Fourier-transformed sub-cycle SFI rate and decreases considerably with increasing central wavelength of the ionizing pulse. Many-body calculations based on time-dependent configuration-interaction singles (TDCIS) quantitatively support this result and reveal an additional decrease of the bandwidth as a consequence of channel interactions and non-adiabatic dynamics. Our results further predict that multi-cycle femtosecond pulses can coherently prepare attosecond wave packets with higher selectivity and versatility compared to single-cycle pulses.

  18. Hypercomputability of quantum adiabatic processes: Fact versus Prejudices

    CERN Document Server

    Kieu, T D

    2005-01-01

    We give an overview of a quantum adiabatic algorithm for Hilbert's tenth problem, including some discussions on its fundamental aspects and the emphasis on the probabilistic correctness of its findings. For the purpose of illustration, the numerical simulation results of some simple Diophantine equations are presented. We also discuss some prejudicial misunderstandings as well as some plausible difficulties faced by the algorithm in its physical implementation.

  19. High-Fidelity Entangled Bell States via Shortcuts to Adiabaticity

    CERN Document Server

    Paul, Koushik

    2016-01-01

    We present a couple of protocols based on shortcut to adiabaticity techniques for rapid generation of robust entangled Bell states in a system of two two-state systems. Our protocols rely on the so-called transitionless quantum driving (TQD) algorithm and Lewis-Riesenfeld invariant (LRI) method. Both TQD and LRI methods result in high fidelity in population transfer.Our study shows that it is possible to prepare an entangled state in infinitely short time without losing robustness and efficiency.

  20. Adiabaticity and gravity theory independent conservation laws for cosmological perturbations

    Science.gov (United States)

    Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao

    2016-04-01

    We carefully study the implications of adiabaticity for the behavior of cosmological perturbations. There are essentially three similar but different definitions of non-adiabaticity: one is appropriate for a thermodynamic fluid δPnad, another is for a general matter field δPc,nad, and the last one is valid only on superhorizon scales. The first two definitions coincide if cs2 = cw2 where cs is the propagation speed of the perturbation, while cw2 = P ˙ / ρ ˙ . Assuming the adiabaticity in the general sense, δPc,nad = 0, we derive a relation between the lapse function in the comoving slicing Ac and δPnad valid for arbitrary matter field in any theory of gravity, by using only momentum conservation. The relation implies that as long as cs ≠cw, the uniform density, comoving and the proper-time slicings coincide approximately for any gravity theory and for any matter field if δPnad = 0 approximately. In the case of general relativity this gives the equivalence between the comoving curvature perturbation Rc and the uniform density curvature perturbation ζ on superhorizon scales, and their conservation. This is realized on superhorizon scales in standard slow-roll inflation. We then consider an example in which cw =cs, where δPnad = δPc,nad = 0 exactly, but the equivalence between Rc and ζ no longer holds. Namely we consider the so-called ultra slow-roll inflation. In this case both Rc and ζ are not conserved. In particular, as for ζ, we find that it is crucial to take into account the next-to-leading order term in ζ's spatial gradient expansion to show its non-conservation, even on superhorizon scales. This is an example of the fact that adiabaticity (in the thermodynamic sense) is not always enough to ensure the conservation of Rc or ζ.

  1. Geometry of adiabatic Hamiltonians for two-level quantum systems

    International Nuclear Information System (INIS)

    We present the formulation of the problem of the coherent dynamics of quantum mechanical two-level systems in the adiabatic region in terms of the differential geometry of plane curves. We show that there is a natural plane curve corresponding to the Hamiltonian of the system for which the geometrical quantities have a simple physical interpretation. In particular, the curvature of the curve has the role of the nonadiabatic coupling. (paper)

  2. Single-parameter adiabatic charge pumping in carbon nanotube resonators

    OpenAIRE

    Perroni, C. A.; Nocera, A.; Cataudella, V.

    2013-01-01

    Single-parameter adiabatic charge pumping, induced by a nearby radio-frequency antenna, is achieved in suspended carbon nanotubes close to the mechanical resonance. The charge pumping is due to an important dynamic adjustment of the oscillating motion to the antenna signal and it is different from the mechanism active in the two-parameter pumping. Finally, the second harmonic oscillator response shows an interesting relationship with the first harmonic that should be experimentally observed.

  3. Quantum pumping with adiabatically modulated barriers in graphene

    OpenAIRE

    Zhu, Rui; Chen, Huiming

    2009-01-01

    We study the adiabatic quantum pumping characteristics in the graphene modulated by two oscillating gate potentials out of phase. The angular and energy dependence of the pumped current is presented. The direction of the pumped current can be reversed when a high barrier demonstrates stronger transparency than a low one, which results from the Klein paradox. The underlying physics of the pumping process is illuminated.

  4. Adiabatic trapping in coupled kinetic Alfven-acoustic waves

    Energy Technology Data Exchange (ETDEWEB)

    Shah, H. A.; Ali, Z. [Department of Physics, G.C. University, 54000 Lahore (Pakistan); Masood, W. [COMSATS, Institute of Information Technology, Park Road, Chak Shahzad, Islamabad 44000 (Pakistan); National Centre for Physics (NCP), Shahdara Valley Road, 44000 Islamabad (Pakistan); Theoretical Plasma Physics Division, P. O. Nilore, Islamabad (Pakistan)

    2013-03-15

    In the present work, we have discussed the effects of adiabatic trapping of electrons on obliquely propagating Alfven waves in a low {beta} plasma. Using the two potential theory and employing the Sagdeev potential approach, we have investigated the existence of arbitrary amplitude coupled kinetic Alfven-acoustic solitary waves in both the sub and super Alfvenic cases. The results obtained have been analyzed and presented graphically and can be applied to regions of space where the low {beta} assumption holds true.

  5. Linear response of galactic halos to adiabatic gravitational perturbations

    OpenAIRE

    Murali, Chigurupati; Tremaine, Scott

    1997-01-01

    We determine the response of a self-similar isothermal stellar system to small adiabatic gravitational perturbations. For odd spherical harmonics, the response is identical to the response of the analogous isothermal fluid system. For even spherical harmonics, the response can be regarded as an infinite series of wavetrains in $\\log r$, implying alternating compression and rarefaction in equal logarithmic radius intervals. Partly because of the oscillatory nature of the solutions, tidal field...

  6. Highly stripped ions on hydrogen atoms: the adiabatic approach

    International Nuclear Information System (INIS)

    The simple Lorentzian form for the adiabatic radial matrix elements which dominate low-energy charge transfer in highly stripped systems is exploited to derive the S matrix for the Asub(Z)sup(Z+) + H(1s) → Asub(Z)sup(Z-1)+ + H+ scattering process. The approximations used are discussed and the results of the theory are compared with measured He2+ + H(1s) → He+ + H+ cross sections. Agreement is satisfactory for low velocities. (author)

  7. Suppression of repeated adiabatic shear banding by dynamic large strain extrusion machining

    Science.gov (United States)

    Cai, S. L.; Dai, L. H.

    2014-12-01

    High speed machining (HSM) is an advanced production technology with great future potential. Chip serration or segmentation is a commonly observed phenomenon during high speed machining of metals, which is found to be ascribed to a repeated shear band formation fueled by thermo-plastic instability occurring within the primary shear zone. The occurrence of serrated chips leads to the cutting force fluctuation, decreased tool life, degradation of the surface finish and less accuracy in machine parts during high speed machining. Hence, understanding and controlling serrated chip formation in HSM are extremely important. In this work, a novel dynamic large strain extrusion machining (DLSEM) technique is developed for suppressing formation of serrated chips. The systematic DLSEM experiments of Ti-6Al-4V and Inconel 718 alloy with varying degrees of imposed extrusion constraint were carried out. It is found that there is a prominent chip morphology transition from serrated to continuous state and shear band spacing decreases with the constraint degree increasing. In order to uncover underlying mechanism of the imposed extrusion constraint suppressing repeated adiabatic shear banding in DLSEM, new theoretical models are developed where the effects of extrusion constraint, material convection due to chip flow and momentum diffusion during shear band propagation are included. The analytical expressions for the onset criterion of adiabatic shear band and shear band spacing in DLSEM are obtained. The theoretical predictions are in agreement with the experimental results.

  8. Multiphoton ionization of atoms

    International Nuclear Information System (INIS)

    The paper is devoted to the analysis of high intensity effects which result from multiphoton ionization of atoms in a high laser intensity, ranging from 1010 to 1015 W cm-2. Resonant multiphoton ionization of atoms, the production of multiply charged ions, and electron energy spectra, are all discussed. (U.K.)

  9. Application of ionizing radiation

    International Nuclear Information System (INIS)

    Fundamental studies by the Nuclear Research Institute concerning the use of ionizing radiations are reported. The ROZA irradiation plant is used for sterilization in medicine and for historic objects preservation. Ionizing radiation is used in the radiation treatment of cables and drinking water. Radiopharmaceuticals are developed. The Institute is an all-state centre for research and development of semiconductor detectors. (M.S.)

  10. Adiabatic shear mechanisms for the hard cutting process

    Science.gov (United States)

    Yue, Caixu; Wang, Bo; Liu, Xianli; Feng, Huize; Cai, Chunbin

    2015-05-01

    The most important consequence of adiabatic shear phenomenon is formation of sawtooth chip. Lots of scholars focused on the formation mechanism of sawtooth, and the research often depended on experimental approach. For the present, the mechanism of sawtooth chip formation still remains some ambiguous aspects. This study develops a combined numerical and experimental approach to get deeper understanding of sawtooth chip formation mechanism for Polycrystalline Cubic Boron Nitride (PCBN) tools orthogonal cutting hard steel GCr15. By adopting the Johnson-Cook material constitutive equations, the FEM simulation model established in this research effectively overcomes serious element distortions and cell singularity in high strain domain caused by large material deformation, and the adiabatic shear phenomenon is simulated successfully. Both the formation mechanism and process of sawtooth are simulated. Also, the change features regarding the cutting force as well as its effects on temperature are studied. More specifically, the contact of sawtooth formation frequency with cutting force fluctuation frequency is established. The cutting force and effect of cutting temperature on mechanism of adiabatic shear are investigated. Furthermore, the effects of the cutting condition on sawtooth chip formation are researched. The researching results show that cutting feed has the most important effect on sawtooth chip formation compared with cutting depth and speed. This research contributes a better understanding of mechanism, feature of chip formation in hard turning process, and supplies theoretical basis for the optimization of hard cutting process parameters.

  11. Adiabatic Shear Mechanisms for the Hard Cutting Process

    Institute of Scientific and Technical Information of China (English)

    YUE Caixu; WANG Bo; LIU Xianli; FENG Huize; CAI Chunbin

    2015-01-01

    The most important consequence of adiabatic shear phenomenon is formation of sawtooth chip. Lots of scholars focused on the formation mechanism of sawtooth, and the research often depended on experimental approach. For the present, the mechanism of sawtooth chip formation still remalns some ambiguous aspects. This study develops a combined numerical and experimental approach to get deeper understanding of sawtooth chip formation mechanism for Polycrystalline Cubic Boron Nitride (PCBN) tools orthogonal cutting hard steel GCr15. By adopting the Johnson-Cook material constitutive equations, the FEM simulation model established in this research effectively overcomes serious element distortions and cell singularity in high straln domaln caused by large material deformation, and the adiabatic shear phenomenon is simulated successfully. Both the formation mechanism and process of sawtooth are simulated. Also, the change features regarding the cutting force as well as its effects on temperature are studied. More specifically, the contact of sawtooth formation frequency with cutting force fluctuation frequency is established. The cutting force and effect of cutting temperature on mechanism of adiabatic shear are investigated. Furthermore, the effects of the cutting condition on sawtooth chip formation are researched. The researching results show that cutting feed has the most important effect on sawtooth chip formation compared with cutting depth and speed. This research contributes a better understanding of mechanism, feature of chip formation in hard turning process, and supplies theoretical basis for the optimization of hard cutting process parameters.

  12. Irreconcilable difference between quantum walks and adiabatic quantum computing

    Science.gov (United States)

    Wong, Thomas G.; Meyer, David A.

    2016-06-01

    Continuous-time quantum walks and adiabatic quantum evolution are two general techniques for quantum computing, both of which are described by Hamiltonians that govern their evolutions by Schrödinger's equation. In the former, the Hamiltonian is fixed, while in the latter, the Hamiltonian varies with time. As a result, their formulations of Grover's algorithm evolve differently through Hilbert space. We show that this difference is fundamental; they cannot be made to evolve along each other's path without introducing structure more powerful than the standard oracle for unstructured search. For an adiabatic quantum evolution to evolve like the quantum walk search algorithm, it must interpolate between three fixed Hamiltonians, one of which is complex and introduces structure that is stronger than the oracle for unstructured search. Conversely, for a quantum walk to evolve along the path of the adiabatic search algorithm, it must be a chiral quantum walk on a weighted, directed star graph with structure that is also stronger than the oracle for unstructured search. Thus, the two techniques, although similar in being described by Hamiltonians that govern their evolution, compute by fundamentally irreconcilable means.

  13. Numerical study of polaron problem in the adiabatic limit

    Science.gov (United States)

    Marsiglio, Frank; Li, Zhou; Blois, Cindy; Baillie, Devin

    2010-03-01

    We study the polaron problem in a one dimensional chain and on a two dimensional square lattice. The models we have used are the Holstein model and the Su-Schrieffer-Heeger (SSH) model. By a variational procedure based on the Lanczos method, we are able to examine the polaron problem in the limit when the mass of the ion is very large, i.e. close to the adiabatic limit. It is known that for the Holstein model there is no phase transition [1] for any nonzero phonon energy. It is also known that for the one dimensional Holstein or SSH model there will be long range order [2] (e.g. dimerization) in the adiabatic limit at half-filling. It is then interesting to study the long range order on a two dimensional square lattice in and away from the adiabatic limit. Moreover, recent progress for the single polaron near an impurity (disorder) [3] make it an interesting problem for studying bond length disorder which can change the hopping energy in a specific direction in the Holstein model. Reference: [1] H. Lowen, Phys.Rev.B 37, 8661 (1988) [2] J.E.Hirsch and E. Frandkin, Phys. Rev. Lett. 49, 402 (1982) [3]A.S.Mishchenko et.al Phys.Rev.B 79(2009) 180301(R)

  14. Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning

    Science.gov (United States)

    Smelyanskiy, Vadius; vonToussaint, Udo V.; Timucin, Dogan A.; Clancy, Daniel (Technical Monitor)

    2002-01-01

    We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum exitation gap, gmin = O(n2(sup -n/2)), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.

  15. Steam bottoming cycle for an adiabatic diesel engine

    Energy Technology Data Exchange (ETDEWEB)

    Poulin, E.; Demler, R.; Krepchin, I.; Walker, D.

    1984-03-01

    A study of steam bottoming cycles using adiabatic diesel engine exhaust heat projected substantial performance and economic benefits for long haul trucks. A parametric analysis of steam cycle and system component variables, system cost, size and performance was conducted. An 811 K/6.90 MPa state-of-the-art reciprocating expander steam system with a monotube boiler and radiator core condenser was selected for preliminary design. When applied to a NASA specified turbo-charged adiabatic diesel the bottoming system increased the diesel output by almost 18%. In a comparison of the costs of the diesel with bottoming system (TC/B) and a NASA specified turbocompound adiabatic diesel with after-cooling with the same total output, the annual fuel savings less the added maintenance cost was determined to cover the increased initial cost of the TC/B system in a payback period of 2.3 years. Also during this program steam bottoming system freeze protection strategies were developed, technological advances required for improved system reliability were considered and the cost and performance of advanced systems were evaluated.

  16. Conditions for super-adiabatic droplet growth after entrainment mixing

    Science.gov (United States)

    Yang, Fan; Shaw, Raymond; Xue, Huiwen

    2016-07-01

    Cloud droplet response to entrainment and mixing between a cloud and its environment is considered, accounting for subsequent droplet growth during adiabatic ascent following a mixing event. The vertical profile for liquid water mixing ratio after a mixing event is derived analytically, allowing the reduction to be predicted from the mixing fraction and from the temperature and humidity for both the cloud and environment. It is derived for the limit of homogeneous mixing. The expression leads to a critical height above the mixing level: at the critical height the cloud droplet radius is the same for both mixed and unmixed parcels, and the critical height is independent of the updraft velocity and mixing fraction. Cloud droplets in a mixed parcel are larger than in an unmixed parcel above the critical height, which we refer to as the "super-adiabatic" growth region. Analytical results are confirmed with a bin microphysics cloud model. Using the model, we explore the effects of updraft velocity, aerosol source in the environmental air, and polydisperse cloud droplets. Results show that the mixed parcel is more likely to reach the super-adiabatic growth region when the environmental air is humid and clean. It is also confirmed that the analytical predictions are matched by the volume-mean cloud droplet radius for polydisperse size distributions. The findings have implications for the origin of large cloud droplets that may contribute to onset of collision-coalescence in warm clouds.

  17. NMR implementation of adiabatic SAT algorithm using strongly modulated pulses.

    Science.gov (United States)

    Mitra, Avik; Mahesh, T S; Kumar, Anil

    2008-03-28

    NMR implementation of adiabatic algorithms face severe problems in homonuclear spin systems since the qubit selective pulses are long and during this period, evolution under the Hamiltonian and decoherence cause errors. The decoherence destroys the answer as it causes the final state to evolve to mixed state and in homonuclear systems, evolution under the internal Hamiltonian causes phase errors preventing the initial state to converge to the solution state. The resolution of these issues is necessary before one can proceed to implement an adiabatic algorithm in a large system where homonuclear coupled spins will become a necessity. In the present work, we demonstrate that by using "strongly modulated pulses" (SMPs) for the creation of interpolating Hamiltonian, one can circumvent both the problems and successfully implement the adiabatic SAT algorithm in a homonuclear three qubit system. This work also demonstrates that the SMPs tremendously reduce the time taken for the implementation of the algorithm, can overcome problems associated with decoherence, and will be the modality in future implementation of quantum information processing by NMR. PMID:18376911

  18. Analysis of adiabatic transfer in cavity quantum electrodynamics

    Indian Academy of Sciences (India)

    Joyee Ghosh; R Ghosh; Deepak Kumar

    2011-10-01

    A three-level atom in a configuration trapped in an optical cavity forms a basic unit in a number of proposed protocols for quantum information processing. This system allows for efficient storage of cavity photons into long-lived atomic excitations, and their retrieval with high fidelity, in an adiabatic transfer process through the ‘dark state’ by a slow variation of the control laser intensity. We study the full quantum mechanics of this transfer process with a view to examine the non-adiabatic effects arising from inevitable excitations of the system to states involving the upper level of , which is radiative. We find that the fidelity of storage is better, the stronger the control field and the slower the rate of its switching off. On the contrary, unlike the adiabatic notion, retrieval is better with faster rates of switching on of an optimal control field. Also, for retrieval, the behaviour with dissipation is non-monotonic. These results lend themselves to experimental tests. Our exact computations, when applied to slow variations of the control intensity for strong atom–photon couplings, are in very good agreement with Berry’s superadiabatic transfer results without dissipation.

  19. Microscopic theory of warm ionized gases: equation of state and kinetic Schottky anomaly

    International Nuclear Information System (INIS)

    Based on accurate Lennard-Jones type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analogue in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed.

  20. Theory of warm ionized gases: equation of state and kinetic Schottky anomaly

    CERN Document Server

    Capolupo, Antonio; Illuminati, Fabrizio

    2013-01-01

    Based on accurate Lennard-Jones type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analogue in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed.

  1. Theory of warm ionized gases: equation of state and kinetic Schottky anomaly.

    Science.gov (United States)

    Capolupo, A; Giampaolo, S M; Illuminati, F

    2013-10-01

    Based on accurate Lennard-Jones-type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analog in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed. In particular, the predicted plasma electron density in a sonoluminescent bubble turns out to be in good agreement with the value measured in recent experiments. PMID:24229140

  2. Multiphoton ionization of atoms

    International Nuclear Information System (INIS)

    This article provides an overview of the current understanding of multiphoton ionization of atoms. It begins with an introductory section to explain the background of the subject. Then the article develops the three topics which have been central themes of discussion in multiphoton ionization of atoms these past few years: multiply charged ion production, very high order harmonic generation, and above-threshold ionization, a name given to the absorption of a very large number of photons by an already ionized electron. A large part of the review is devoted to some theoretical aspects of multiphoton ionization of atoms and especially non-perturbative theories. Finally the article considers the very near future prospects of laser-electron interactions and more generally laser-matter interactions at 1018 -1019 W cm-2, an intensity range now within reach due to new short pulse laser technology. (author)

  3. High-Temperature Ionization in Protoplanetary Disks

    CERN Document Server

    Desch, Steven J

    2015-01-01

    We calculate the abundances of electrons and ions in the hot (> 500 K), dusty parts of protoplanetary disks, treating for the first time the effects of thermionic and ion emission from the dust grains. High-temperature ionization modeling has involved simply assuming that alkali elements such as potassium occur as gas-phase atoms and are collisionally ionized following the Saha equation. We show that the Saha equation often does not hold, because free charges are produced by thermionic and ion emission and destroyed when they stick to grain surfaces. This means the ionization state depends not on the first ionization potential of the alkali atoms, but rather on the grains' work functions. The charged species' abundances typically rise abruptly above about 800 K, with little qualitative dependence on the work function, gas density, or dust-to-gas mass ratio. Applying our results, we find that protoplanetary disks' dead zone, where high diffusivities stifle magnetorotational turbulence, has its inner edge locat...

  4. Investigation of polyethylene detector and adiabatic calorimeter in the radiation filds of proton accelerators

    International Nuclear Information System (INIS)

    The results on investigation of the absorbed energy detectors used at IHEP, i. e., polyethylene detector (PD)-based on hydrogen release from polymer under effect of ionizing radiation and adiabatic calorimeter (AC) are presented. The sensitivity function for these detectors for 6 MeV-3000 GeV hadrons have been calculated. The PD and AC readings have been measured and calculated for the radiation fields near the IHEP proton synchrotron vacuum chamber. The dependence of the calorimeter readings on the working medium has been studied. The PD has been calibrated with the AC. It is ahown that in the hadron spectra the calorimeter readings do not depend on the working medium in the limit of 8%. The PD calibration enchanced the accuracy of radiation dose measuring in the accelerator radiation mixed field. The sensitivity function calculations showed that detectors studied applied for measuring absorved dose have the energy threshold, so for PD it is equal 18 MEV for protons, 6 MeV for charged poins. Results of investigations showed the possibility of PD utilization for measuring absorbed dose in different structural materials operating in mixed radiation fields of accelerators

  5. Biological Effects of Ionizing Radiation

    Science.gov (United States)

    Ingram, M.; Mason, W. B.; Whipple, G. H.; Howland, J. W.

    1952-04-07

    This report presents a review of present knowledge and concepts of the biological effects of ionizing radiations. Among the topics discussed are the physical and chemical effects of ionizing radiation on biological systems, morphological and physiological changes observed in biological systems subjected to ionizing radiations, physiological changes in the intact animal, latent changes following exposure of biological systems to ionizing radiations, factors influencing the biological response to ionizing radiation, relative effects of various ionizing radiations, and biological dosimetry.

  6. Determination of nitrogen compounds in gasoline by gas chromatography-surface ionization detector%气相色谱-表面电离检测器分析汽油中含氮化合物的分布

    Institute of Scientific and Technical Information of China (English)

    李伟伟; 丁坤; 王华; 陈士恒; 沈铮; 关亚风

    2011-01-01

    Nitrogen compounds in gasoline were extracted by liquid-liquid extraction and analyzed by gas chromatography-surface ionization detector ( GC-SID ). Compared with the chromatograms obtained from GC-flame ionization detector ( FID ) , GC-thermal ionization detector ( NPD ) and GC-mass spectrometry ( MS ), the peaks in the chromatogram obtained by GC-SID were assigned to the nitrogen compounds in gasoline. Most of these nitrogen compounds could not be detected by FID or NPD . which demonstrated the high selectivity and sensitivity of the SID. The types of nitrogen compounds in three gasoline samples ( 90#、93#、97# ) were similar,but their contents varied with different gasoline brands. The extracted nitrogen compounds were mainly anilines. the amounts of which in the three gasoline samples were different. Trace amounts of several high boiling point nitrogen compounds were successfully detected because of the high sensitivity of SID. The SID is superior to the commercial NPD in detecting the nitrogen compounds in gasoline samples. In view of its high sensitivity and selectivity , the SID is a promising GC detector.%采用液液萃取的方法分别从90#、93#、97#汽油中提取了含氮化合物,并将气相色谱(GC)和作者所在研究组研制的表面电离检测器(SID)联用对含氮化合物进行了分析.结合GC-氢火焰离子化检测器(FID)、GC-氮磷检测器(NPD)和GC-质谱(MS)的分析结果,可鉴定出GC-SID谱图中的峰基本为含氮化合物,且大部分为NPD和FID 未检出的峰,说明SID的选择性和灵敏度更好.分析结果表明,这3种汽油含氮化合物种类相似,含量有所差异;所提取的含氮化合物主要是苯胺类化合物;SID能从汽油样品中检出多种痕量的高沸点含氮组分,对于检测含氮组分而言,SID具有优于商品NPD的灵敏度和选择性.SID为GC分析提供了一种性能优异的选择性检测器.

  7. Liquid Chromatography with Post-Column Reagent Addition of Ammonia in Methanol Coupled to Negative Ion Electrospray Ionization Tandem Mass Spectrometry for Determination of Phenoxyacid Herbicides and their Degradation Products in Surface Water

    Directory of Open Access Journals (Sweden)

    Michele L. Etter

    2010-02-01

    Full Text Available A new liquid chromatography (LC-negative ion electrospray ionization (ESI–tandem mass spectrometry (MS/MS method with post-column addition of ammonia in methanol has been developed for the analysis of acid herbicides: 2,4-dichlorophenoxy ace- tic acid, 4-chloro-o-tolyloxyacetic acid, 2-(2-methyl-4-chlorophenoxybutyric acid, mecoprop, dichlorprop, 4-(2,4-dichlorophenoxy butyric acid, 2,4,5-trichlorophenoxy propionic acid, dicamba and bromoxynil, along with their degradation products: 4-chloro-2- methylphenol, 2,4-dichlorophenol, 2,4,5-trichlorophenol and 3,5-dibromo-4-hydroxybenzoic acid. The samples were extracted from the surface water matrix using solid-phase extraction (SPE with a polymeric sorbent and analyzed with LC ESI- with selected reaction monitoring (SRM using a three-point confirmation approach. Chromatography was performed on a Zorbax Eclipse XDB-C18 (50 × 4.6 mm i.d., 1.8 µm with a gradient elution using water-methanol with 2 mM ammonium acetate mobile phase at a flow rate of 0.15 mL/min. Ammonia in methanol (0.8 M was added post-column at a flow rate of 0.05 mL/min to enhance ionization of the deg- radation products in the MS source. One SRM transition was used for quantitative analysis while the second SRM along with the ratio of SRM1/SRM2 within the relative standard deviation determined by standards for each individual pesticide and retention time match were used for confirmation. The standard deviation of ratio of SRM1/SRM2 obtained from standards run on the day of analysis for different phenoxyacid herbicides ranged from 3.9 to 18.5%. Limits of detection (LOD were between 1 and 15 ng L-1 and method detection limits (MDL with strict criteria requiring

  8. Generation of a pair of photons through the three-body dissociation of a multiply excited water molecule around the double ionization potential

    Energy Technology Data Exchange (ETDEWEB)

    Odagiri, Takeshi; Nakano, Motoyoshi; Tanabe, Takehiko; Kumagai, Yoshiaki [Department of Chemistry, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8551 (Japan); Suzuki, Isao H; Kouchi, Noriyuki, E-mail: joe@chem.titech.ac.j [Photon Factory, IMSS, KEK, Tsukuba, Ibaraki 305-0801 (Japan)

    2009-11-01

    The cross sections for the generation of a photon-pair from excited fragments in photoexcitation of H{sub 2}O have been measured as a function of incident photon energy. The multiply excited states of H{sub 2}O have been observed even above the adiabatic double ionization potential.

  9. Abnormal ionization in sonoluminescence

    Science.gov (United States)

    Zhang, Wen-Juan; An, Yu

    2015-04-01

    Sonoluminescence is a complex phenomenon, the mechanism of which remains unclear. The present study reveals that an abnormal ionization process is likely to be present in the sonoluminescing bubble. To fit the experimental data of previous studies, we assume that the ionization energies of the molecules and atoms in the bubble decrease as the gas density increases and that the decrease of the ionization energy reaches about 60%-70% as the bubble flashes, which is difficult to explain by using previous models. Project supported by the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20120002110031) and the National Natural Science Foundation of China (Grant No. 11334005).

  10. Ionization Thresholds of Small Carbon Clusters: Tunable VUVExperiments and Theory

    Energy Technology Data Exchange (ETDEWEB)

    Belau, Leonid; Wheeler, Steven E.; Ticknor, Brian W.; Ahmed,Musahid; Leone, Stephen R.; Allen, Wesley D.; Schaefer III, Henry F.; Duncan, Michael A.

    2007-07-31

    Small carbon clusters (Cn, n = 2-15) are produced in amolecular beam by pulsed laser vaporization and studied with vacuumultraviolet (VUV) photoionization mass spectrometry. The required VUVradiation in the 8-12 eV range is provided by the Advanced Light Source(ALS) at the Lawrence Berkeley National Laboratory. Mass spectra atvarious ionization energies reveal the qualitative relative abundances ofthe neutral carbon clusters produced. By far the most abundant species isC3. Using the tunability of the ALS, ionization threshold spectra arerecorded for the clusters up to 15 atoms in size. The ionizationthresholds are compared to those measured previously with charge-transferbracketing methods. To interpret the ionization thresholds for differentcluster sizes, new ab initio calculations are carried out on the clustersfor n = 4-10. Geometric structures are optimized at the CCSD(T) levelwith cc-pVTZ (or cc-pVDZ) basis sets, and focal point extrapolations areapplied to both neutral and cation species to determine adiabatic andvertical ionization potentials. The comparison of computed and measuredionization potentials makes it possible to investigate the isomericstructures of the neutral clusters produced in this experiment. Themeasurements are inconclusive for the n = 4-6 species because ofunquenched excited electronic states. However, the data provide evidencefor the prominence of linear structures for the n = 7, 9, 11, 13 speciesand the presence of cyclic C10.

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

    Science.gov (United States)

    Zobač, Vladmír; Lewis, James P; Jelínek, Pavel

    2016-07-15

    We report non-adiabatic molecular dynamic simulations of the ring opening reaction of diarylethene (DAE) derivative molecules, both free standing and embedded between gold electrodes. Simulations are performed by the surface hopping method employing density functional theory. Typically, the free-standing molecules exhibit large quantum yields to open and close; however the process is quenched for the molecules embedded between electrodes. Our simulations reveal the importance of the DAE side chemical groups, which explain the efficiency of the quenching process. Namely, delocalization of the LUMO state contributes to electronic coupling between the molecule and electrodes, suppressing or enhancing the reaction process. The simulations indicate that a proper choice of the chemical side group, which provides the strong localization of the LUMO state, can substantially diminish the quenching mechanism. Additionally, we analyze a strong dependency of the quantum yield of the opening reaction coming from the mechanical strength of the molecules. PMID:27255903

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

    Science.gov (United States)

    Zobač, Vladmír; Lewis, James P.; Jelínek, Pavel

    2016-07-01

    We report non-adiabatic molecular dynamic simulations of the ring opening reaction of diarylethene (DAE) derivative molecules, both free standing and embedded between gold electrodes. Simulations are performed by the surface hopping method employing density functional theory. Typically, the free-standing molecules exhibit large quantum yields to open and close; however the process is quenched for the molecules embedded between electrodes. Our simulations reveal the importance of the DAE side chemical groups, which explain the efficiency of the quenching process. Namely, delocalization of the LUMO state contributes to electronic coupling between the molecule and electrodes, suppressing or enhancing the reaction process. The simulations indicate that a proper choice of the chemical side group, which provides the strong localization of the LUMO state, can substantially diminish the quenching mechanism. Additionally, we analyze a strong dependency of the quantum yield of the opening reaction coming from the mechanical strength of the molecules.

  13. Fowler-Nordheim emission modified by laser pulses in the adiabatic regime

    CERN Document Server

    Rokhlenko, Alexander

    2016-01-01

    We investigate enhanced field emission due to a continuous or pulsed oscillating field added to a constant electric field $E$ at the emitter surface. When the frequency of oscillation, field strength, and property of the emitter material satisfy the Keldysh condition $\\gamma<1/2$ one can use the adiabatic approximation for treating the oscillating field, i.e. consider the tunneling through the instantaneous Fowler-Nordheim barrier created by both fields. Due to the great sensitivity of the emission to the field strength the average tunneling current can be much larger than the current produced by only the constant field. We carry out the computations for arbitrary strong constant electric fields, beyond the commonly used Fowler-Nordheim approximation which exhibit in particular an important property of the wave function inside the potential barrier where it is found to be monotonically decreasing without oscillations.

  14. Quantum state specific reactant preparation in a molecular beam by rapid adiabatic passage

    Energy Technology Data Exchange (ETDEWEB)

    Chadwick, Helen, E-mail: helen.chadwick@epfl.ch; Hundt, P. Morten; Reijzen, Maarten E. van; Yoder, Bruce L.; Beck, Rainer D. [Laboratoire de Chimie Physique Moléculaire, Ecole Polytechnique Fédérale de Lausanne, Lausanne (Switzerland)

    2014-01-21

    Highly efficient preparation of molecules in a specific rovibrationally excited state for gas/surface reactivity measurements is achieved in a molecular beam using tunable infrared (IR) radiation from a single mode continuous wave optical parametric oscillator (cw-OPO). We demonstrate that with appropriate focusing of the IR radiation, molecules in the molecular beam crossing the fixed frequency IR field experience a Doppler tuning that can be adjusted to achieve complete population inversion of a two-level system by rapid adiabatic passage (RAP). A room temperature pyroelectric detector is used to monitor the excited fraction in the molecular beam and the population inversion is detected and quantified using IR bleaching by a second IR-OPO. The second OPO is also used for complete population transfer to an overtone or combination vibration via double resonance excitation using two spatially separated RAP processes.

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

    Science.gov (United States)

    Fernandez-Alberti, Sebastian; Makhov, Dmitry V; Tretiak, Sergei; Shalashilin, Dmitrii V

    2016-04-21

    Photoinduced dynamics of electronic and vibrational unidirectional energy transfer between meta-linked building blocks in a phenylene ethynylene dendrimer is simulated using a multiconfigurational Ehrenfest in time-dependent diabatic basis (MCE-TDDB) method, a new variant of the MCE approach developed by us for dynamics involving multiple electronic states with numerous abrupt crossings. Excited-state energies, gradients and non-adiabatic coupling terms needed for dynamics simulation are calculated on-the-fly using the Collective Electron Oscillator (CEO) approach. A comparative analysis of our results obtained using MCE-TDDB, the conventional Ehrenfest method and the surface-hopping approach with and without decoherence corrections is presented. PMID:27004611

  16. MULTIPHOTON IONIZATION OF ATOMS

    OpenAIRE

    Mainfray, G.

    1985-01-01

    Multiphoton ionization of one-electron atoms, such as atomic hydrogen and alkaline atoms, is well understood and correctly described by rigorous theoretical models. The present paper will be devoted to collisionless multiphoton ionization of many-electron atoms as rare gases. It induces removal of several electrons and the production of multiply charged ions. Up to Xe5+ ions are produced in Xe atoms. Doubly charged ions can be produced, either by simultaneous excitation of two electrons, or b...

  17. Adiabatic quantum computing with spin qubits hosted by molecules.

    Science.gov (United States)

    Yamamoto, Satoru; Nakazawa, Shigeaki; Sugisaki, Kenji; Sato, Kazunobu; Toyota, Kazuo; Shiomi, Daisuke; Takui, Takeji

    2015-01-28

    A molecular spin quantum computer (MSQC) requires electron spin qubits, which pulse-based electron spin/magnetic resonance (ESR/MR) techniques can afford to manipulate for implementing quantum gate operations in open shell molecular entities. Importantly, nuclear spins, which are topologically connected, particularly in organic molecular spin systems, are client qubits, while electron spins play a role of bus qubits. Here, we introduce the implementation for an adiabatic quantum algorithm, suggesting the possible utilization of molecular spins with optimized spin structures for MSQCs. We exemplify the utilization of an adiabatic factorization problem of 21, compared with the corresponding nuclear magnetic resonance (NMR) case. Two molecular spins are selected: one is a molecular spin composed of three exchange-coupled electrons as electron-only qubits and the other an electron-bus qubit with two client nuclear spin qubits. Their electronic spin structures are well characterized in terms of the quantum mechanical behaviour in the spin Hamiltonian. The implementation of adiabatic quantum computing/computation (AQC) has, for the first time, been achieved by establishing ESR/MR pulse sequences for effective spin Hamiltonians in a fully controlled manner of spin manipulation. The conquered pulse sequences have been compared with the NMR experiments and shown much faster CPU times corresponding to the interaction strength between the spins. Significant differences are shown in rotational operations and pulse intervals for ESR/MR operations. As a result, we suggest the advantages and possible utilization of the time-evolution based AQC approach for molecular spin quantum computers and molecular spin quantum simulators underlain by sophisticated ESR/MR pulsed spin technology.

  18. Nonlinear effects generation in non-adiabatically tapered fibres

    Science.gov (United States)

    Palací, Jesús; Mas, Sara; Monzón-Hernández, David; Martí, Javier

    2015-12-01

    Nonlinear effects are observed in a non-adiabatically tapered optical fibre. The designed structure allows for the introduction of self-phase modulation, which is observed through pulse breaking and spectral broadening, in approximately a centimetre of propagation using a commercial telecom laser. These devices are simple to fabricate and suitable to generate and control a variety of nonlinear effects in practical applications because they do not experience short-term degradation as previously reported approaches. Experimental and theoretical results are obtained, showing a good agreement.

  19. Adiabatic regularisation of power spectra in nonminimally coupled chaotic inflation

    CERN Document Server

    Alinea, Allan L

    2016-01-01

    We investigate the effect of adiabatic regularisation on both the tensor- and scalar-perturbation power spectra in \\textit{nonminimally} coupled chaotic inflation. Similar to that of the \\textit{minimally} coupled general single-field inflation, we find that the subtraction term is suppressed by an exponentially decaying factor involving the number of $ e $-folds. By following the subtraction term long enough beyond horizon crossing, the regularised power spectrum tends to the "bare" power spectrum. This study justifies the use of the unregularised ("bare") power spectrum in standard calculations.

  20. Adiabatic regularization of power spectra in nonminimally coupled chaotic inflation

    Science.gov (United States)

    Alinea, Allan L.

    2016-10-01

    We investigate the effect of adiabatic regularization on both the tensor- and scalar-perturbation power spectra in nonminimally coupled chaotic inflation. Similar to that of the minimally coupled general single-field inflation, we find that the subtraction term is suppressed by an exponentially decaying factor involving the number of e -folds. By following the subtraction term long enough beyond horizon crossing, the regularized power spectrum tends to the ``bare'' power spectrum. This study justifies the use of the unregularized (``bare'') power spectrum in standard calculations.

  1. Stimulated Raman adiabatic passage analogues in classical physics

    Energy Technology Data Exchange (ETDEWEB)

    Rangelov, A A [University of Kassel, Heinrich-Plett-Str. 40, D-34132 Kassel (Germany); Vitanov, N V [Department of Physics, Sofia University, James Bourchier 5 blvd., 1164 Sofia (Bulgaria); Shore, B W [618 Escondido Cir., Livermore, CA (United States)

    2009-03-14

    Stimulated Raman adiabatic passage (STIRAP) is a well-established technique for producing coherent population transfer in a three-state quantum system. We here exploit the resemblance between the Schroedinger equation for such a quantum system and the Newton equation of motion for a classical system undergoing torque to discuss several classical analogues of STIRAP, notably the motion of a moving charged particle subject to the Lorentz force of a quasistatic magnetic field, the orientation of a magnetic moment in a slowly varying magnetic field and the Coriolis effect. Like STIRAP, these phenomena occur for counterintuitive motion of the torque and are robustly insensitive to small changes in the interaction properties.

  2. Analysis of interference in attosecond transient absorption in adiabatic condition

    CERN Document Server

    Dong, Wenpu; Wang, Xiaowei; Zhao, Zengxiu

    2015-01-01

    We simulate the transient absorption of attosecond pulses of infrared laser-dressed atoms by considering a three-level system with the adiabatic approximation. We study the delay-dependent interference features in the transient absorption spectra of helium atoms from the perspective of the coherent interaction processes between the attosecond pulse and the quasi-harmonics, and find that many features of the interference fringes in the absorption spectra of the attosecond pulse can be attributed to the coherence phase difference. And the modulation signals of laser-induced sidebands of the dark state is found related to the dark state with population modulated by the dressing field.

  3. Simulation on refrigerant flow in adiabatic capillary tube

    Institute of Scientific and Technical Information of China (English)

    Meixia WANG; Cunfang LIU; Qiangtai ZHOU

    2008-01-01

    This paper proposes a new mathematical model to calculate flow characteristics of the adiabatic capillary tube, which is aimed at solving problems existing in some earlier models. The Stocker's model was modified with consideration of various effects due to sub-cooling, area concentration, and rolling diameter. The new model can be used not only for R22, but also for its substitutes such as R410A and R407C. A comparison of simulation results of the modified model with those in literature showed that the errors are within 10%. The flow charac-teristics are finally analyzed.

  4. Relativistic blast waves in two dimensions. I - The adiabatic case

    Science.gov (United States)

    Shapiro, P. R.

    1979-01-01

    Approximate solutions are presented for the dynamical evolution of strong adiabatic relativistic blast waves which result from a point explosion in an ambient gas in which the density varies both with distance from the explosion center and with polar angle in axisymmetry. Solutions are analytical or quasi-analytical for the extreme relativistic case and numerical for the arbitrarily relativistic case. Some general properties of nonplanar relativistic shocks are also discussed, including the incoherence of spherical ultrarelativistic blast-wave fronts on angular scales greater than the reciprocal of the shock Lorentz factor, as well as the conditions for producing blast-wave acceleration.

  5. From Classical Nonlinear Integrable Systems to Quantum Shortcuts to Adiabaticity

    Science.gov (United States)

    Okuyama, Manaka; Takahashi, Kazutaka

    2016-08-01

    Using shortcuts to adiabaticity, we solve the time-dependent Schrödinger equation that is reduced to a classical nonlinear integrable equation. For a given time-dependent Hamiltonian, the counterdiabatic term is introduced to prevent nonadiabatic transitions. Using the fact that the equation for the dynamical invariant is equivalent to the Lax equation in nonlinear integrable systems, we obtain the counterdiabatic term exactly. The counterdiabatic term is available when the corresponding Lax pair exists and the solvable systems are classified in a unified and systematic way. Multisoliton potentials obtained from the Korteweg-de Vries equation and isotropic X Y spin chains from the Toda equations are studied in detail.

  6. Monte Carlo Simulation of Adiabatic Cooling and Nuclear Magnetism

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker; Viertiö, H. E.; Mouritsen, Ole G.

    1988-01-01

    in experimental studies of nuclear magnetism using adiabatic demagnetization methods. It is found that, although fluctuations reduce the transition temperatures by 40%, the isentropes are reduced by less than 10% relative to those calculated by mean-field theory. The dynamics of the ordering process following...... constant-temperature or constant-magnetic-field quenches into the antiferromagnetic phase is found at late times to obey the classical Allen-Cahn growth law. The qualitative features of isentropic quenches and the nonequilibrium ordering phenomena during controlled heating treatments at constant rate...

  7. Fast CNOT gate via shortcuts to adiabatic passage

    Science.gov (United States)

    Wang, Zhe; Xia, Yan; Chen, Ye-Hong; Song, Jie

    2016-10-01

    Based on the shortcuts to adiabatic passage, we propose a scheme for directly implementing a controlled-not (CNOT) gate in a cavity quantum electrodynamics system. Moreover, we generalize the scheme to realize a CNOT gate in two separate cavities connected by an optical fiber. The strictly numerical simulation shows that the schemes are fast and insensitive to the decoherence caused by atomic spontaneous emission and photon leakage. In addition, the schemes can provide a theoretical basis for the manipulation of the multiqubit quantum gates in distant nodes of a quantum network.

  8. Modeling of the Adiabatic and Isothermal Methanation Process

    Science.gov (United States)

    Porubova, Jekaterina; Bazbauers, Gatis; Markova, Darja

    2011-01-01

    Increased use of biomass offers one of the ways to reduce anthropogenic impact on the environment. Using various biomass conversion processes, it is possible to obtain different types of fuels: • solid, e.g. bio-carbon; • liquid, e.g. biodiesel and ethanol; • gaseous, e.g. biomethane. Biomethane can be used in the transport and energy sector, and the total methane production efficiency can reach 65%. By modeling adiabatic and isothermal methanation processes, the most effective one from the methane production point of view is defined. Influence of the process parameters on the overall efficiency of the methane production is determined.

  9. Landau-Zener Transitions in an Adiabatic Quantum Computer

    OpenAIRE

    Johansson, J; Amin, M. H. S.; Berkley, A. J.; Bunyk, P.; Choi, V.; Harris, R.; Johnson, M. W.; Lanting, T. M.; Lloyd, Seth; ROSE, G

    2008-01-01

    We report an experimental measurement of Landau-Zener transitions on an individual flux qubit within a multi-qubit superconducting chip designed for adiabatic quantum computation. The method used isolates a single qubit, tunes its tunneling amplitude Delta into the limit where Delta is much less than both the temperature T and the decoherence-induced energy level broadening, and forces it to undergo a Landau-Zener transition. We find that the behavior of the qubit agrees to a high degree of a...

  10. ADELE adiabatic compressed air energy storage. Status and perspectives

    Energy Technology Data Exchange (ETDEWEB)

    Freund, Sebastian [General Electric Deutschland Holding GmbH, Garching (Germany). GE Global Research Renewable Energy Systems Lab.; Marquardt, Roland; Moser, Peter [RWE Power AG, Essen (Germany). Research and Development Innovative Power Plant Technology

    2013-06-01

    This paper gives an overview about compressed air energy storage (CAES) technology and a summary of the ADELE programme, a multi-year R and D programme undertaken by a consortium led by RWE Power to develop adiabatic (A) CAES technology and commercialise the first plant. The ACAES technology is to utilise waste heat developing upon compression in order to increase the entire efficiency. The ADELE-ING project is to provide the basis for making the decision on the construction of a 85 MW prototype. (orig.)

  11. Adiabatic transport of qubits around a black hole

    CERN Document Server

    Viennot, David

    2016-01-01

    We consider localized qubits evolving around a black hole following a quantum adiabatic dynamics. We develop a geometric structure (based on fibre bundles) permitting to describe the quantum states of a qubit and the spacetime geometry in a single framework. The quantum decoherence induced by the black hole on the qubit is analysed in this framework (the role of the dynamical and geometric phases in this decoherence is treated), especially for the quantum teleportation protocol when one qubit falls to the event horizon. A simple formula to compute the fidelity of the teleportation is derived. The case of a Schwarzschild black hole is analysed.

  12. Adiabatic quantum computation and quantum annealing theory and practice

    CERN Document Server

    McGeoch, Catherine C

    2014-01-01

    Adiabatic quantum computation (AQC) is an alternative to the better-known gate model of quantum computation. The two models are polynomially equivalent, but otherwise quite dissimilar: one property that distinguishes AQC from the gate model is its analog nature. Quantum annealing (QA) describes a type of heuristic search algorithm that can be implemented to run in the ``native instruction set'''' of an AQC platform. D-Wave Systems Inc. manufactures {quantum annealing processor chips} that exploit quantum properties to realize QA computations in hardware. The chips form the centerpiece of a nov

  13. Plasma heating via adiabatic magnetic compression-expansion cycle

    Science.gov (United States)

    Avinash, K.; Sengupta, M.; Ganesh, R.

    2016-06-01

    Heating of collisionless plasmas in closed adiabatic magnetic cycle comprising of a quasi static compression followed by a non quasi static constrained expansion against a constant external pressure is proposed. Thermodynamic constraints are derived to show that the plasma always gains heat in cycles having at least one non quasi static process. The turbulent relaxation of the plasma to the equilibrium state at the end of the non quasi static expansion is discussed and verified via 1D Particle in Cell (PIC) simulations. Applications of this scheme to heating plasmas in open configurations (mirror machines) and closed configurations (tokamak, reverse field pinche) are discussed.

  14. SU-E-T-96: Demonstration of a Consistent Method for Correcting Surface Dose Measurements Using Both Solid State and Ionization Chamber Detectors

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, T; Gerbi, B; Higgins, P [UniversityMinnesota, Minneapolis, MN (United States)

    2014-06-01

    Purpose: To compare the surface dose (SD) measured using a PTW 30-360 extrapolation chamber with different commonly used dosimeters (Ds): parallel plate ion chambers (ICs): RMI-449 (Attix), Capintec PS-033, PTW 30-329 (Markus) and Memorial; TLD chips (cTLD), TLD powder (pTLD), optically stimulated (OSLs), radiochromic (EXR2) and radiographic (EDR2) films, and to provide an intercomparison correction to Ds for each of them. Methods: Investigations were performed for a 6 MV x-ray beam (Varian Clinac 2300, 10x10 cm{sup 2} open field, SSD = 100 cm). The Ds were placed at the surface of the solid water phantom and at the reference depth dref=1.7cm. The measurements for cTLD, OSLs, EDR2 and EXR2 were corrected to SD using an extrapolation method (EM) indexed to the baseline PTW 30-360 measurements. A consistent use of the EM involved: 1) irradiation of three Ds stacked on top of each other on the surface of the phantom; 2) measurement of the relative dose value for each layer; and, 3) extrapolation of these values to zero thickness. An additional measurement was performed with externally exposed OSLs (eOSLs), that were rotated out of their protective housing. Results: All single Ds measurements overestimated the SD compared with the extrapolation chamber, except for Attix IC. The closest match to the true SD was measured with the Attix IC (− 0.1%), followed by pTLD (0.5%), Capintec (4.5%), Memorial (7.3%), Markus (10%), cTLD (11.8%), eOSL (12.8%), EXR2 (14%), EDR2 (14.8%) and OSL (26%). The EM method of correction for SD worked well for all Ds, except the unexposed OSLs. Conclusion: This EM cross calibration of solid state detectors with an extrapolation or Attix chamber can provide thickness corrections for cTLD, eOSLs, EXR2, and EDR2. Standard packaged OSLs were not found to be simply corrected.

  15. Perturbation to Lie symmetry and another type of Hojman adiabatic invariants for Birkhoffian systems

    Institute of Scientific and Technical Information of China (English)

    Ding Ning; Fang Jian-Hui; Chen Xiang-Xia

    2008-01-01

    The perturbation to Lie symmetry and another type of Hojman adiabatic invariants induced from the perturbation to Lie symmetry for Birkhoffian systems are studied. The exact invariants of Lie symmetry for the system without perturbation are given. Based on the concept of adiabatic invariant, the perturbation to Lie symmetry is discussed and another new type of Hojman adiabatic invariants that have the different form from that in [Acta Phys. Sin. 55 3833] for the perturbed system are obtained.

  16. Adiabatic heavy-ion fusion potentials for fusion at deep sub-barrier energies

    Indian Academy of Sciences (India)

    S V S Sastry; S Kailas; A K Mohanty; A Saxena

    2005-01-01

    The recently reported unusual behaviour of fusion cross-sections at extreme sub-barrier energies has been examined. The adiabatic limit of fusion barriers has been determined from experimental data using the barrier penetration model. These adiabatic barriers are consistent with the adiabatic fusion barriers derived from the modified Wilzynska–Wilzynski prescription. The fusion barrier systematics has been obtained for a wide range of heavy-ion systems.

  17. Quantum pumping in closed systems, adiabatic transport, and the Kubo formula

    OpenAIRE

    Cohen, Doron

    2003-01-01

    Quantum pumping in closed systems is considered. We explain that the Kubo formula contains all the physically relevant ingredients for the calculation of the pumped charge ($Q$) within the framework of linear response theory. The relation to the common formulations of adiabatic transport and ``geometric magnetism" is clarified. We distinguish between adiabatic and dissipative contributions to $Q$. On the one hand we observe that adiabatic pumping does not have to be quantized. On the other ha...

  18. Tunneling conductance through the half-metal/conical magnet/superconductor junctions in the adiabatic and non-adiabatic regimes: Self-consistent calculations

    Science.gov (United States)

    Wójcik, P.; Zegrodnik, M.; Rzeszotarski, B.; Adamowski, J.

    2016-09-01

    The tunneling conductance through the half-metal/conical magnet/superconductor (HM/CM/SC) junctions is investigated with the use of the Bogoliubov-de Gennes equations in the framework of Blonder-Tinkham-Klapwijk formalism. Due to the spin band separation in the HM, the conductance in the subgap region is mainly determined by the anomalous Andreev reflection, the probability of which strongly depends on the spin transmission in the CM layer. We show that the spins of electrons injected from the HM can be transmitted through the CM to the SC either adiabatically or non-adiabatically depending on the period of the spatial modulation of the exchange field. We find that the conductance in the subgap region oscillates as a function of the CM layer thickness wherein the oscillations transform from the irregular pattern in the non-adiabatic regime to the regular one in the adiabatic regime. For both adiabatic and non-adiabatic transport regimes the conductance is studied over a broad range of parameters determining the spiral magnetization in the CM. We find that in the non-adiabatic regime, the decrease of the exchange field amplitude in the CM leads to the emergence of the conductance peak for the particular CM thickness in agreement with recent experiments.

  19. Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphere.

    Science.gov (United States)

    Oh, Sangchul; Hu, Xuedong; Nori, Franco; Kais, Sabre

    2016-01-01

    Adiabatic perturbation is shown to be singular from the exact solution of a spin-1/2 particle in a uniformly rotating magnetic field. Due to a non-adiabatic effect, its quantum trajectory on a Bloch sphere is a cycloid traced by a circle rolling along an adiabatic path. As the magnetic field rotates more and more slowly, the time-energy uncertainty, proportional to the length of the quantum trajectory, calculated by the exact solution is entirely different from the one obtained by the adiabatic path traced by the instantaneous eigenstate. However, the non-adiabatic Aharonov-Anandan geometric phase, measured by the area enclosed by the exact path, approaches smoothly the adiabatic Berry phase, proportional to the area enclosed by the adiabatic path. The singular limit of the time-energy uncertainty and the regular limit of the geometric phase are associated with the arc length and arc area of the cycloid on a Bloch sphere, respectively. Prolate and curtate cycloids are also traced by different initial states outside and inside of the rolling circle, respectively. The axis trajectory of the rolling circle, parallel to the adiabatic path, is shown to be an example of transitionless driving. The non-adiabatic resonance is visualized by the number of cycloid arcs. PMID:26916031

  20. Matrix Assisted Ionization in Vacuum, a Sensitive and Widely Applicable Ionization Method for Mass Spectrometry

    Science.gov (United States)

    Trimpin, Sarah; Inutan, Ellen D.

    2013-05-01

    An astonishingly simple new method to produce gas-phase ions of small molecules as well as proteins from the solid state under cold vacuum conditions is described. This matrix assisted ionization vacuum (MAIV) mass spectrometry (MS) method produces multiply charged ions similar to those that typify electrospray ionization (ESI) and uses sample preparation methods that are nearly identical to matrix-assisted laser desorption/ionization (MALDI). Unlike these established methods, MAIV does not require a laser or voltage for ionization, and unlike the recently introduced matrix assisted ionization inlet method, does not require added heat. MAIV-MS requires only introduction of a crystalline mixture of the analyte incorporated with a suitable small molecule matrix compound such as 3-nitrobenzonitrile directly to the vacuum of the mass spectrometer. Vacuum intermediate pressure MALDI sources and modified ESI sources successfully produce ions for analysis by MS with this method. As in ESI-MS, ion formation is continuous and, without a laser, little chemical background is observed. MAIV, operating from a surface offers the possibility of significantly improved sensitivity relative to atmospheric pressure ionization because ions are produced in the vacuum region of the mass spectrometer eliminating losses associated with ion transfer from atmospheric pressure to vacuum. Mechanistic aspects and potential applications for this new ionization method are discussed.

  1. Fuel cell with ionization membrane

    Science.gov (United States)

    Hartley, Frank T. (Inventor)

    2007-01-01

    A fuel cell is disclosed comprising an ionization membrane having at least one area through which gas is passed, and which ionizes the gas passing therethrough, and a cathode for receiving the ions generated by the ionization membrane. The ionization membrane may include one or more openings in the membrane with electrodes that are located closer than a mean free path of molecules within the gas to be ionized. Methods of manufacture are also provided.

  2. Stimulated Raman Adiabatic Passage (STIRAP) Among Degenerate-Level Manifolds

    CERN Document Server

    Kis, Z; Shore, B W; Vitanov, N V; Kis, Zsolt; Karpati, Attila; Shore, Bruce W.; Vitanov, Nikolay V.

    2004-01-01

    We examine the conditions needed to accomplish stimulated Raman adiabatic passage (STIRAP) when the three levels (g, e and f) are degenerate, with arbitrary couplings contributing to the pump-pulse interaction (g - e) and to the Stokes-pulse interaction (e-f). We show that in general a sufficient condition for complete population removal from the g set of degenerate states for arbitrary, pure or mixed, initial state is that the degeneracies should not decrease along the sequence g, e and f. We show that when this condition holds it is possible to achieve the degenerate counterpart of conventional STIRAP, whereby adiabatic passage produces complete population transfer. Indeed, the system is equivalent to a set of independent three-state systems, in each of which a STIRAP procedure can be implemented. We describe a scheme of unitary transformations that produces this result. We also examine the cases when this degeneracy constraint does not hold, and show what can be accomplished in those cases. For example, fo...

  3. Adiabatic creation of coherent superposition states via multiple intermediate states

    CERN Document Server

    Karpati, A

    2003-01-01

    We consider an adiabatic population transfer process that resembles the well established stimulated Raman adiabatic passage (STIRAP). In our system, the states have nonzero angular momentums $J$, therefore, the coupling laser fields induce transitions among the magnetic sublevels of the states. In particular, we discuss the possibility of creating coherent superposition states in a system with coupling pattern $J=0\\Leftrightarrow J=1$ and $J=1\\Leftrightarrow J=2$. Initially, the system is in the J=0 state. We show that by two delayed, overlapping laser pulses it is possible to create any final superposition state of the magnetic sublevels $|2,-2>$, $|2,0>$, $|2,+2>$. Moreover, we find that the relative phases of the applied pulses influence not only the phases of the final superposition state but the probability amplitudes as well. We show that if we fix the shape and the time-delay between the pulses, the final state space can be entirely covered by varying the polarizations and relative phases of the two pu...

  4. General background conditions for K-bounce and adiabaticity

    CERN Document Server

    Romano, Antonio Enea

    2016-01-01

    We study the background conditions for a bounce in a single scalar field model with a generalized kinetic term $K(X)$. At the background level we impose the existence of two turning points where the derivative of the Hubble parameter $H$ changes sign and of a bounce point where the Hubble parameter vanishes. We find the conditions for $K(X)$ and the potential which ensure the above requirements. We then give the examples of two models constructed according to these conditions. One is based on a quadratic $K$, and the other on a $K$ which is avoiding divergences of the second time derivative of the scalar field, which may otherwise occur. An appropriate choice of the initial conditions can lead to a sequence of consecutive bounces. In models where the bounce occurs when the potential is not constant, large non adiabatic perturbations are produced, which can in turn source the growth of anisotropies. In the region where these models have a constant potential they became adiabatic on any scale and because of thi...

  5. The 0.1K bolometers cooled by adiabatic demagnetization

    Science.gov (United States)

    Roellig, T.; Lesyna, L.; Kittel, P.; Werner, M.

    1983-01-01

    The most straightforward way of reducing the noise equivalent power of bolometers is to lower their operating temperature. We have been exploring the possibility of using conventionally constructed bolometers at ultra-low temperatures to achieve NEP's suitable to the background environment of cooled space telescopes. We have chosen the technique of adiabatic demagnetization of a paramagnetic salt as a gravity independent, compact, and low power way to achieve temperatures below pumped He-3 (0.3 K). The demagnetization cryostat we used was capable of reaching temperatures below 0.08 K using Chromium Potassium Alum as a salt from a starting temperature of 1.5 K and a starting magnetic field of 30,000 gauss. Computer control of the magnetic field decay allowed a temperature of 0.2 K to be maintained to within 0.5 mK over a time period exceeding 14 hours. The refrigerator duty cycle was over 90 percent at this temperature. The success of these tests has motivated us to construct a more compact portable adiabatic demagnetization cryostat capable of bolometer optical tests and use at the 5m Hale telescope at 1mm wavelengths.

  6. Shortcut to adiabaticity for an anisotropic unitary Fermi gas

    CERN Document Server

    Deng, Shujin; Yu, Qianli; Wu, Haibin

    2016-01-01

    Coherent control of complex quantum systems is a fundamental requirement in quantum information processing and engineering. Recently developed notion of shortcut to adiabaticity (STA) has spawned intriguing prospects. So far, the most experimental investigations of STA are implemented in the ideal thermal gas or the weakly interacting ultracold Bose gases. Here we report the first demonstration of a many-body STA in a 3D anisotropically trapped unitary Fermi gas. A new dynamical scaling law is demonstrated on such a strongly interacting quantum gas. By simply engineering the frequency aspect ratio of a harmonic trap, the dynamics of the gas can be manipulated and the many-body state can be transferred adiabatically from one stationary state to another one in short time scale without the excitation. The universal scaling both for non-interacting and unitary Fermi gas is also verified. This could be very important for future many-body quantum engineering and the exploration of the fundamental law of the thermod...

  7. Primeval adiabatic perturbations: constraints from the mass distribution

    International Nuclear Information System (INIS)

    The autocorrelation function of the mass distribution after decoupling of matter and radiation is computed under the assumption of linear primeval adiabatic perturbations using a new numerical method, and the results are compared to what is inferred from the present galaxy distribution. The computations are based on a Friedmann-Lemaitre model with Λ = 0 containing radiation, zero-mass neutrinos, hydrogen, and helium. The primeval power spectrum of density fluctuations is taken to approximate a power law k/sup v/. If the density parameter is Ω0 = 2q0< or approx. =0.1; or, if ν< or approx. =2, then the coherence length of the residual mass distribution is too large: when the amplitude is adjusted to make the first generation of objects form at z< or approx. =2, there are unacceptably large fluctuations in the mass distribution now on scales approx.12 to 40 Mpc. If ν = 3 to 4, this problem is avoided, but to prevent diverging curvature fluctuations the power law k/sup v/ must be truncated at a rather large comoving wavelength, lambda/sub x/approx.1 Mpc. The parameters thus are tightly limited, but it appears that one still can find a consistent scenario for the development of galaxies out of linear primeval adiabatic perturbations

  8. Schedule path optimization for adiabatic quantum computing and optimization

    International Nuclear Information System (INIS)

    Adiabatic quantum computing and optimization have garnered much attention recently as possible models for achieving a quantum advantage over classical approaches to optimization and other special purpose computations. Both techniques are probabilistic in nature and the minimum gap between the ground state and first excited state of the system during evolution is a major factor in determining the success probability. In this work we investigate a strategy for increasing the minimum gap and success probability by introducing intermediate Hamiltonians that modify the evolution path between initial and final Hamiltonians. We focus on an optimization problem relevant to recent hardware implementations and present numerical evidence for the existence of a purely local intermediate Hamiltonian that achieve the optimum performance in terms of pushing the minimum gap to one of the end points of the evolution. As a part of this study we develop a convex optimization formulation of the search for optimal adiabatic schedules that makes this computation more tractable, and which may be of independent interest. We further study the effectiveness of random intermediate Hamiltonians on the minimum gap and success probability, and empirically find that random Hamiltonians have a significant probability of increasing the success probability, but only by a modest amount. (paper)

  9. Comparison of microbial communities in Lake Tahoe surface sample with Tonga Trench water column samples using High Pressure Liquid Chromatography - Electrospray Ionization - Mass Spectroscopy (HPLC - ESI - MS) and Global Natural Products Social Molecular Network (GNPS)

    Science.gov (United States)

    Belmonte, M. A.

    2015-12-01

    Intact polar lipids (IPLs) are lipids composed of a head group, a glycerol, and a fatty acid chain that make up the lipid bilayer of cell membranes in living cells; and the varying head groups can be indicative of the type of microbes present in the environment (Van Mooy 2010). So by distinguishing and identifying the IPL distribution in an environment one can make inferences about the microbial communities in the said environment. In this study, we used High Pressure Liquid Chromatography-Electrospray Ionization- Mass Spectroscopy (HPLC-ESI-MS) and Global Natural Products Social Molecular Networking (GNPS) to compare the IPL distributions of two oligotrophic environments: surface waters of Lake Tahoe in the Sierra Nevada Mountains, and the water column of the Tonga Trench in the South Pacific. We hypothesized that the similar nutrient dynamics of the two oligotrophic environments would result in similar eukaryotic and prokaryotic communities, which would be reflected in the IPL composition of suspended particulate organic matter (POM). For simplicity we focused on the classes of IPLs most commonly observed in the marine environment: phosphotidylglycerol (PG), phosphotidylethanolamine (PE), diacylglyceryl-trimethyl-homoserine (DGTS), diacylglyceryl-hydroxymethyl-trimethylalanine (DGTA), sulfoquinovosyldiacylglycerol (SQDG), monoglycosyldiacylglycerol (MGDG) and diglycosyldiacylglycerol (DGDG). Our results showed that all of the marine IPLs of interest were present in Lake Tahoe which confirms that there are many of the same microbial communities in the fresh waters of Lake Tahoe and the salt waters Tonga Trench.

  10. Simple fabrication of hydrophobic surface target for increased sensitivity and homogeneity in matrix-assisted laser desorption/ionization time-of-flight mass spectrometry analysis of peptides, phosphopeptides, carbohydrates and proteins.

    Science.gov (United States)

    Chen, Chao-Jung; Lai, Chien-Chen; Tseng, Mei-Chun; Liu, Yu-Ching; Lin, Shih-Yi; Tsai, Fuu-Jen

    2013-06-14

    To enhance sample signals and improve homogeneity in matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF) analysis, a simple, rapid, and efficient sample preparation method was developed in this study. Polydimethylsiloxane (PDMS) was coated on a stainless steel MALDI plate, forming a transparent, hydrophobic surface that enhanced sample signals without producing observable background signals. Compared to the use of an unmodified commercial metal MALDI plate, peptide signals were enhanced by ~7.1-11.0-fold due to the reduced sample spot area of the PDMS-coated plate, and showed improved peptide mass fingerprinting (PMF) and MS/MS peptide sequencing results. In the analysis of phosphopeptides and carbohydrates with a 2,5-dihydroxybenzoic acid (DHB) matrix, the PDMS-coated plate showed improved sample homogeneity and signal enhancements of ~5.2-8.2-fold and ~2.8-3.2-fold, respectively. Improved sensitivity in the observation of more unique fragment ions by MS/MS analysis, to successfully distinguish isomeric carbohydrates, was also illustrated. In protein analysis with a sinapinic acid (SA) matrix, a ~3.4-fold signal enhancement was observed. The PDMS film coating was easily removed and refabricated to avoid sample carryover, and was applicable to diverse commercial MALDI plates. The PDMS-coated approach is a simple, practical, and attractive method for enhancing analyte signals and homogeneity. PMID:23726097

  11. Second Law Analysis of Adiabatic and Non-Adiabatic Pipeline Flows of Unstable and Surfactant-Stabilized Emulsions

    Directory of Open Access Journals (Sweden)

    Rajinder Pal

    2016-03-01

    Full Text Available Entropy generation, and hence exergy destruction, in adiabatic flow of unstable and surfactant-stabilized emulsions was investigated experimentally in different diameter pipes. Four types of emulsion systems are investigated covering a broad range of the dispersed-phase concentration: (a unstable oil-in-water (O/W emulsions without surfactant; (b surfactant-stabilized O/W emulsions; (c unstable water-in-oil (W/O emulsions without surfactant; and (d surfactant-stabilized W/O emulsions. The entropy generation rate per unit pipe length is affected by the type of the emulsion as well as its stability. Unstable emulsions without any surfactant present at the interface generate less entropy in the turbulent regime as compared with the surfactant-stabilized emulsions of the same viscosity and density. The effect of surfactant is particularly severe in the case of W/O emulsions. In the turbulent regime, the rate of entropy generation in unstable W/O emulsions is much lower in comparison with that observed in the stable W/O emulsions. A significant delay in the transition from laminar to turbulent regime is also observed in the case of unstable W/O emulsion. Finally, the analysis and simulation results are presented on non-adiabatic pipeline flow of emulsions.

  12. The critical ionization velocity

    International Nuclear Information System (INIS)

    The critical ionization velocity effect was first proposed in the context of space plasmas. This effect occurs for a neutral gas moving through a magnetized plasma and leads to rapid ionization and braking of the relative motion when a marginal velocity, 'the critical velocity', is exceeded. Laboratory experiments have clearly established the significance of the critical velocity and have provided evidence for an underlying mechanism which relies on the combined action of electron impact ionization and a collective plasma interaction heating electrons. There is experimental support for such a mechanism based on the heating of electrons by the modified two-stream instability as part of a feedback process. Several applications to space plasmas have been proposed and the possibility of space experiments has been discussed. (author)

  13. The ionizing treatment of food

    International Nuclear Information System (INIS)

    This book of proceedings contains the talks given by the members of the Society of chemical experts of France (SECF) and by various specialists of the ionizing treatment during the scientific days of September 25-26, 1997. The aim of this meeting was to reconsider the effects of ionization from a scientific point of view and apart from the polemics generated by this domain. The following topics were discussed successively: source and characterization of a ionizing treatment, biological effects of ionization on food and the expected consequences, the ionizing treatment and the reduction of the vitamin C content of fruits and vegetables, is it safe to eat irradiated food?, the organoleptic modifications of food after ionization, quality assurance of dosimetry measurements in an industrial installation of food ionization, the French and European regulations in food ionization, the detection of irradiated foodstuffs, processed food and complex lipid matrices, sterilization of dishes for immuno-depressed patients using ionization. (J.S.)

  14. Radiation dependent ionization model

    International Nuclear Information System (INIS)

    For laser created plasma simulation, hydrodynamics codes need a non-LTE atomic physics package for both EOS and optical properties (emissivity and opacity). However in XRL targets as in some ICF targets, high Z material can be found. In these cases radiation trapping can induce a significant departure from the optically thin ionization description. The authors present a method to change an existing LTE code into a non-LTE code with coupling of ionization to radiation. This method has very low CPU cost and can be used in 2D simulations

  15. Super-adiabatic combustion in Al2O3 and SiC coated porous media for thermoelectric power conversion

    International Nuclear Information System (INIS)

    The combustion of ultra-lean fuel/air mixtures provides an efficient way to convert the chemical energy of hydrocarbons and low-calorific fuels into useful power. Matrix-stabilized porous medium combustion is an advanced technique in which a solid porous medium within the combustion chamber conducts heat from the hot gaseous products in the upstream direction to preheat incoming reactants. This heat recirculation extends the standard flammability limits, allowing the burning of ultra-lean and low-calorific fuel mixtures and resulting a combustion temperature higher than the thermodynamic equilibrium temperature of the mixture (i.e., super-adiabatic combustion). The heat generated by this combustion process can be converted into electricity with thermoelectric generators, which is the goal of this study. The design of a porous media burner coupled with a thermoelectric generator and its testing are presented. The combustion zone media was a highly-porous alumina matrix interposed between upstream and downstream honeycomb structures with pore sizes smaller than the flame quenching distance, preventing the flame from propagating outside of the central section. Experimental results include temperature distributions inside the combustion chamber and across a thermoelectric generator; along with associated current, voltage and power output values. Measurements were obtained for a catalytically inert Al2O3 medium and a SiC coated medium, which was tested for the ability to catalyze the super-adiabatic combustion. The combustion efficiency was obtained for stoichiometric and ultra-lean (near the lean flammability limit) mixtures of CH4 and air. - Highlights: • Design of a porous burner coupled with a thermoelectric module. • Super-adiabatic combustion in a highly-porous ceramic matrix was investigated. • Both alumina and silicon carbide ceramic surfaces were used as porous media. • Catalytic properties of Al2O3 and SiC ceramic surfaces were studied

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

    International Nuclear Information System (INIS)

    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 NH3(X~1A1), full-dimensional state-to-state quantum dynamics of symmetric or antisymmetric stretch excited NH3(X~1A1) 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 NH2(A~2A1)/NH2(X~2B1) branching ratio is found to be small regardless of the initial preparation of NH3(X~1A1), while the internal state distribution of the preeminent fragment, NH2(X~2B1), is found to depend strongly on the initial vibrational excitation of NH3(X~1A1). The slow H atoms in photodissociation mediated by the antisymmetric stretch fundamental state are due to energy sequestered in the internally excited NH2(X~2B1) fragment, rather than in NH2(A~2A1) as previously proposed. The high internal excitation of the NH2(X~2B1) fragment is attributed to the torques exerted on the molecule as it passes through the conical intersection seam to the ground electronic state of NH3. 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

  17. Assessment of Several Moist Adiabatic Processes Associated with Convective Energy Calculation

    Institute of Scientific and Technical Information of China (English)

    李耀东; 高守亭; 刘健文

    2004-01-01

    Several methods dealing with the moist adiabatic process are described in this paper. They are based on static energy conservation, pseudo-equivalent potential temperature conservation, the strict pseudoadiabatic equation, and the reversible moist adiabatic process, respectively. Convective energy parameters, which are closely related to the moist adiabatic process and which reflect the gravitational effects of condensed liquid water, are reintroduced or defined, including MCAPE [Modified-CAPE (convective available potential energy)], DCAPE (Downdraft-CAPE), and MDCAPE (Modified-Downdraft-CAPE). Two real case analyses with special attention given to condensed liquid water show that the selection of moist adiabatic process does affect the calculated results of CAPE and the gravitational effects of condensed liquid water are not negligible in severe storms. Intercomparisons of these methods show that static energy conservation is consistent with pseudo-equivalent potential temperature conservation not only in physical properties but also in calculated results, and both are good approximations to the strict pseudo-adiabatic equation. The lapse rate linked with the reversible moist adiabatic process is relatively smaller than that linked with other moist adiabatic processes, especially when considering solidification of liquid water in the reversible adiabatic process.

  18. On the adiabatic stability of solitons and the matching of conservation laws

    Science.gov (United States)

    Lochak, Pierre

    1984-08-01

    We derive a series of identities which generalize and simplify the results obtained for adiabatically modulated solitons in the case of perturbed specific integrable equations. It stresses the importance of the variational properties of the solitons, which make an adiabatic theorem plausible. A precise conjecture is made and its validity discussed from different points of view.

  19. On the effect of Coulomb interaction on the multiphoton ionization probability

    International Nuclear Information System (INIS)

    The nonresonant multiphoton ionization problem is considered in the case of one-dimensional Coulomb potential. The continuous spectrum wave function in the presence of electromagnetic field and Coulomb interaction is calculated in the quasiclassical approximation. The Coulomb interaction is taken into account by the use of the perturbation theory in that part of action which arises due to interaction with an electromagnetic field. Criteria of this approximation validity are found and it is shown that such an approach allows the process of nonresonant multiphoton ionization to be described in the field range εa (εa is the characteristic atomic field) for arbitrary values of the adiabaticity parameter γ. Within the range γ>>1 the Coulomb factor in the ionization probability is independing of the field strength and has to be taken into account

  20. Numerical verification of the theory of nonadiabatic tunnel ionization in strong circularly polarized laser fields

    International Nuclear Information System (INIS)

    We verify the theory of nonadiabatic ionization of degenerate valence p± orbitals in strong circularly polarized laser fields by numerically solving the two-dimensional time-dependent Schrödinger equation for an effective one-electron potential of neon. The numerically calculated ionization ratios of the p− and p+ orbitals agree well with the theoretical results (i.e., the counter-rotating electron tunnels more easily). However, for strong laser pulses and low laser frequencies, the adiabatic laser-dressed orbitals play an important role. In a Floquet treatment of a three-level model, we find that in this regime the ionization ratio of initial p− and p+ orbitals depends strongly on the orbital energy order of valence s and p± orbitals. We also show that the emission angles of valence p− and p+ electrons are different and should be observable in attoclock experiments. (paper)

  1. From Classical Nonlinear Integrable Systems to Quantum Shortcuts to Adiabaticity.

    Science.gov (United States)

    Okuyama, Manaka; Takahashi, Kazutaka

    2016-08-12

    Using shortcuts to adiabaticity, we solve the time-dependent Schrödinger equation that is reduced to a classical nonlinear integrable equation. For a given time-dependent Hamiltonian, the counterdiabatic term is introduced to prevent nonadiabatic transitions. Using the fact that the equation for the dynamical invariant is equivalent to the Lax equation in nonlinear integrable systems, we obtain the counterdiabatic term exactly. The counterdiabatic term is available when the corresponding Lax pair exists and the solvable systems are classified in a unified and systematic way. Multisoliton potentials obtained from the Korteweg-de Vries equation and isotropic XY spin chains from the Toda equations are studied in detail. PMID:27563938

  2. Optical waveguide device with an adiabatically-varying width

    Science.gov (United States)

    Watts; Michael R. , Nielson; Gregory N.

    2011-05-10

    Optical waveguide devices are disclosed which utilize an optical waveguide having a waveguide bend therein with a width that varies adiabatically between a minimum value and a maximum value of the width. One or more connecting members can be attached to the waveguide bend near the maximum value of the width thereof to support the waveguide bend or to supply electrical power to an impurity-doped region located within the waveguide bend near the maximum value of the width. The impurity-doped region can form an electrical heater or a semiconductor junction which can be activated with a voltage to provide a variable optical path length in the optical waveguide. The optical waveguide devices can be used to form a tunable interferometer (e.g. a Mach-Zehnder interferometer) which can be used for optical modulation or switching. The optical waveguide devices can also be used to form an optical delay line.

  3. Cosmological consequences of an adiabatic matter creation process

    CERN Document Server

    Nunes, Rafael C

    2016-01-01

    In this paper we investigate the cosmological consequences of a continuous matter creation associated with the production of particles by the gravitational field acting on the quantum vacuum. To illustrate this, three phenomenological models are considered. An equivalent scalar field description is presented for each models. The effects on the cosmic microwave background power spectrum are analyzed for the first time in the context of adiabatic matter creation cosmology. Further, we introduce a model independent treatment, $Om$, which depends only on the Hubble expansion rate and the cosmological redshift to distinguish any cosmological model from $\\Lambda$CDM by providing a null test for the cosmological constant, meaning that, for any two redshifts $z_1$, $z_2$, $Om (z)$ is same, i.e. $Om (z_1)- Om (z_2)= 0$. Also, this diagnostic can differentiate between several cosmological models by indicating their quintessential/ phantom behavior without knowing the accurate value of the matter density, and the presen...

  4. Adiabatic quantum-flux-parametron cell library adopting minimalist design

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Naoki, E-mail: takeuchi-naoki-kx@ynu.jp [Institute of Advanced Sciences, Yokohama National University, 79-5 Tokiwadai, Hodogaya, Yokohama 240-8501 (Japan); Yamanashi, Yuki; Yoshikawa, Nobuyuki [Institute of Advanced Sciences, Yokohama National University, 79-5 Tokiwadai, Hodogaya, Yokohama 240-8501 (Japan); Department of Electrical and Computer Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya, Yokohama 240-8501 (Japan)

    2015-05-07

    We herein build an adiabatic quantum-flux-parametron (AQFP) cell library adopting minimalist design and a symmetric layout. In the proposed minimalist design, every logic cell is designed by arraying four types of building block cells: buffer, NOT, constant, and branch cells. Therefore, minimalist design enables us to effectively build and customize an AQFP cell library. The symmetric layout reduces unwanted parasitic magnetic coupling and ensures a large mutual inductance in an output transformer, which enables very long wiring between logic cells. We design and fabricate several logic circuits using the minimal AQFP cell library so as to test logic cells in the library. Moreover, we experimentally investigate the maximum wiring length between logic cells. Finally, we present an experimental demonstration of an 8-bit carry look-ahead adder designed using the minimal AQFP cell library and demonstrate that the proposed cell library is sufficiently robust to realize large-scale digital circuits.

  5. Nucleon-deuteron scattering using the adiabatic projection method

    Science.gov (United States)

    Elhatisari, Serdar; Lee, Dean; Meißner, Ulf-G.; Rupak, Gautam

    2016-06-01

    In this paper we discuss the adiabatic projection method, a general framework for scattering and reaction calculations on the lattice. We also introduce several new techniques developed to study nucleus-nucleus scattering and reactions on the lattice. We present technical details of the method for large-scale problems. To estimate the systematic errors of the calculations we consider simple two-particle scattering on the lattice. Then we benchmark the accuracy and efficiency of the numerical methods by applying these to calculate fermion-dimer scattering in lattice effective field theory with and without a long-range Coulomb potential. The fermion-dimer calculations correspond to neutron-deuteron and proton-deuteron scattering in the spin-quartet channel at leading order in the pionless effective field theory.

  6. Differential geometric treewidth estimation in adiabatic quantum computation

    Science.gov (United States)

    Wang, Chi; Jonckheere, Edmond; Brun, Todd

    2016-07-01

    The D-Wave adiabatic quantum computing platform is designed to solve a particular class of problems—the Quadratic Unconstrained Binary Optimization (QUBO) problems. Due to the particular "Chimera" physical architecture of the D-Wave chip, the logical problem graph at hand needs an extra process called minor embedding in order to be solvable on the D-Wave architecture. The latter problem is itself NP-hard. In this paper, we propose a novel polynomial-time approximation to the closely related treewidth based on the differential geometric concept of Ollivier-Ricci curvature. The latter runs in polynomial time and thus could significantly reduce the overall complexity of determining whether a QUBO problem is minor embeddable, and thus solvable on the D-Wave architecture.

  7. Controlled Rapid Adiabatic Passage in a V-Type System

    Science.gov (United States)

    Song, Yunheung; Lee, Han-Gyeol; Jo, Hanlae; Ahn, Jaewook

    2016-05-01

    In chirped rapid adiabatic passage (RAP), chirp sign determines the final state to which the complete population transfer (CPT) occurs in a three-level V-type system. In this study, we show that laser intensity can be alternatively used as a control means in RAP, when the laser pulse is chirped and of a spectral hole resonant to one of the excited states. We verified such excitation selectivity in the experiment performed as-shaped femtosecond laser pulses interacting with the lowest three levels (5S, 5 P1/2, and 5 P3/2) of atomic rubidium. The successful demonstration implies that this intensity-dependent RAP in conjunction with laser beam profile programming may allow excitation selectivity for atoms or ions arranged in space.

  8. Classical Simulation of Quantum Adiabatic Algorithms using Mathematica on GPUs

    CERN Document Server

    Díaz-Pier, Sandra; Gómez-Muñoz, José Luis

    2011-01-01

    In this paper we present a simulation environment enhanced with parallel processing which can be used on personal computers, based on a high-level user interface developed on Mathematica\\copyright which is connected to C++ code in order to make our platform capable of communicating with a Graphics Processing Unit. We introduce the reader to the behavior of our proposal by simulating a quantum adiabatic algorithm designed for solving hard instances of the 3-SAT problem. We show that our simulator is capable of significantly increasing the number of qubits that can be simulated using classical hardware. Finally, we present a review of currently available classical simulators of quantum systems together with some justifications, based on our willingness to further understand processing properties of Nature, for devoting resources to building more powerful simulators.

  9. Nucleon-deuteron scattering using the adiabatic projection method

    CERN Document Server

    Elhatisari, Serdar; Meißner, Ulf-G; Rupak, Gautam

    2016-01-01

    In this paper we discuss the adiabatic projection method, a general framework for scattering and reaction calculations on the lattice. We also introduce several new techniques developed to study nucleus-nucleus scattering and reactions on the lattice. We present technical details of the methods for large-scale problems. To estimate the systematic errors of the calculations we consider simple two-particle scattering on the lattice. Then we benchmark the accuracy and efficiency of the numerical methods by applying these to calculate fermion-dimer scattering in lattice effective field theory with and without a long-range Coulomb potential. The fermion-dimer calculations correspond to neutron-deuteron and proton-deuteron scattering in the spin-quartet channel at leading order in pionless effective field theory.

  10. Influence of coherent adiabatic excitation on femtosecond transient signals

    CERN Document Server

    Conde, A Peralta; Longarte, A

    2016-01-01

    The transient signals derived from femtosecond pump-probe experiments are analyzed in terms of the coherent evolution of the energy levels perturbed by the excitation pulse. The model system is treated as the sum of independent two-level subsystems that evolve adiabatically or are permanently excited, depending on the detuning from the central wavelength of the excitation laser. This approach will allow us to explain numerically and analytically the convergence between the coherent and incoherent (rate equations) treatments for complex multi-level systems. It will be also shown that the parameter that determines the validity of the incoherent treatment is the distribution of states outside and inside the laser bandwidth, rather than the density of states as it is commonly accepted.

  11. Properties of a two stage adiabatic demagnetization refrigerator

    Science.gov (United States)

    Fukuda, H.; Ueda, S.; Arai, R.; Li, J.; Saito, A. T.; Nakagome, H.; Numazawa, T.

    2015-12-01

    Currently, many space missions using cryogenic temperatures are being planned. In particular, high resolution sensors such as Transition Edge Sensors need very low temperatures, below 100 mK. It is well known that the adiabatic demagnetization refrigerator (ADR) is one of most useful tools for producing ultra-low temperatures in space because it is gravity independent. We studied a continuous ADR system consisting of 4 stages and demonstrated it could provide continuous temperatures around 100 mK. However, there was some heat leakage from the power leads which resulted in reduced cooling power. Our efforts to upgrade our ADR system are presented. We show the effect of using the HTS power leads and discuss a cascaded Carnot cycle consisting of 2 ADR units.

  12. Some properties of adiabatic blast waves in preexisting cavities

    Science.gov (United States)

    Cox, D. P.; Franco, J.

    1981-01-01

    Cox and Anderson (1982) have conducted an investigation regarding an adiabatic blast wave in a region of uniform density and finite external pressure. In connection with an application of the results of the investigation to a study of interstellar blast waves in the very hot, low-density matrix, it was found that it would be desirable to examine situations with a positive radial density gradient in the ambient medium. Information concerning such situations is needed to learn about the behavior of blast waves occurring within preexisting, presumably supernova-induced cavities in the interstellar mass distribution. The present investigation is concerned with the first steps of a study conducted to obtain the required information. A review is conducted of Sedov's (1959) similarity solutions for the dynamical structure of any explosion in a medium with negligible pressure and power law density dependence on radius.

  13. Adiabaticity and gravity theory independent conservation laws for cosmological perturbations

    Directory of Open Access Journals (Sweden)

    Antonio Enea Romano

    2016-04-01

    We then consider an example in which cw=cs, where δPnad=δPc,nad=0 exactly, but the equivalence between Rc and ζ no longer holds. Namely we consider the so-called ultra slow-roll inflation. In this case both Rc and ζ are not conserved. In particular, as for ζ, we find that it is crucial to take into account the next-to-leading order term in ζ's spatial gradient expansion to show its non-conservation, even on superhorizon scales. This is an example of the fact that adiabaticity (in the thermodynamic sense is not always enough to ensure the conservation of Rc or ζ.

  14. Adiabatic quantum-flux-parametron cell library adopting minimalist design

    International Nuclear Information System (INIS)

    We herein build an adiabatic quantum-flux-parametron (AQFP) cell library adopting minimalist design and a symmetric layout. In the proposed minimalist design, every logic cell is designed by arraying four types of building block cells: buffer, NOT, constant, and branch cells. Therefore, minimalist design enables us to effectively build and customize an AQFP cell library. The symmetric layout reduces unwanted parasitic magnetic coupling and ensures a large mutual inductance in an output transformer, which enables very long wiring between logic cells. We design and fabricate several logic circuits using the minimal AQFP cell library so as to test logic cells in the library. Moreover, we experimentally investigate the maximum wiring length between logic cells. Finally, we present an experimental demonstration of an 8-bit carry look-ahead adder designed using the minimal AQFP cell library and demonstrate that the proposed cell library is sufficiently robust to realize large-scale digital circuits

  15. Hydroxylamine nitrate self-catalytic kinetics study with adiabatic calorimetry.

    Science.gov (United States)

    Liu, Lijun; Wei, Chunyang; Guo, Yuyan; Rogers, William J; Sam Mannan, M

    2009-03-15

    Hydroxylamine nitrate (HAN) is an important member of the hydroxylamine compound family with applications that include equipment decontamination in the nuclear industry and aqueous or solid propellants. Due to its instability and autocatalytic behavior, HAN has been involved in several incidents at the Hanford and Savannah River Site (SRS) [Technical Report on Hydroxylamine Nitrate, US Department of Energy, 1998]. Much research has been conducted on HAN in different areas, such as combustion mechanism, decomposition mechanism, and runaway behavior. However, the autocatalytic decomposition behavior of HAN at runaway stage has not been fully addressed due to its highly exothermic and rapid decomposition behavior. This work is focused on extracting HAN autocatalytic kinetics and analyzing HAN critical behavior from adiabatic calorimetry measurements. A lumped autocatalytic kinetic model for HAN and associated model parameters are determined. Also the storage and handling critical conditions of diluted HAN solution without metal presence are quantified.

  16. Role of rotational temperature in adiabatic molecular alignment

    DEFF Research Database (Denmark)

    Kumarappan, Vinod; Bisgaard, Christer Z; Viftrup, Simon;

    2006-01-01

    One-dimensional alignment of molecules in the adiabatic limit, where the pulse duration greatly exceeds the molecular rotational periods, is studied experimentally. Four different asymmetric top molecules (iodobenzene, p-diiodobenzene, 3,4-dibromothiophene, and 4,4(')-dibromobiphenyl), rotationally...... cooled through a high pressure supersonic pulsed valve, are aligned by a 9-ns-long pulse. Their orientations are measured through Coulomb explosion, induced by a 130-fs-long pulse, and by recording the direction of the recoiling ions. The paper focuses on the crucial role of the initial rotational...... temperature for the degree of alignment. In particular, we show that at molecular temperatures in the 1 K range very strong alignment is obtained already at intensities of a few times 10(11) W/cm(2) for all four molecules. At the highest intensities (similar to 10(12) W/cm(2)) the molecules can tolerate...

  17. Adiabatic quantum pump in a zigzag graphene nanoribbon junction

    Institute of Scientific and Technical Information of China (English)

    张林

    2015-01-01

    The adiabatic electron transport is theoretically studied in a zigzag graphene nanoribbon (ZGNR) junction with two time-dependent pumping electric fields. By modeling a ZGNR p–n junction and applying the Keldysh Green’s function method, we find that a pumped charge current is flowing in the device at a zero external bias, which mainly comes from the photon-assisted tunneling process and the valley selection rule in an even-chain ZGNR junction. The pumped charge current and its ON and OFF states can be efficiently modulated by changing the system parameters such as the pumping frequency, the pumping phase difference, and the Fermi level. A ferromagnetic ZGNR device is also studied to generate a pure spin current and a fully polarized spin current due to the combined spin pump effect and the valley valve effect. Our finding might pave the way to manipulate the degree of freedom of electrons in a graphene-based electronic device.

  18. Adiabatic Hamiltonian deformation, linear response theory, and nonequilibrium molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Hoover, W.G.

    1980-05-28

    Although Hamiltonians of various kinds have previously been used to derive Green-Kubo relations for the transport coefficients, the particular choice described is uniquely related to thermodynamics. This nonequilibrium Hamiltonian formulation of fluid flow provides pedagogically simple routes to nonequilibrium fluxes and distribution functions, to theoretical understanding of long-time effects, and to new numerical methods for simulating systems far from equilibrium. The same methods are now being applied to solid-phase problems. At the relatively high frequencies used in the viscous fluid calculations described, solids typically behave elastically. Lower frequencies lead to the formation of dislocations and other defects, making it possible to study plastic flow. A property of the nonequilibrium equations of motion which might be profitably explored is their effective irreversibility. Because only a few particles are necessary to generate irreversible behavior, simulations using adiabatic deformations of the kind described here could perhaps elucidate the instability in the equations of motion responsible for irreversibility.

  19. Reversibility and Adiabatic Computation Trading Time and Space for Energy

    CERN Document Server

    Li, Maozhen; Li, Ming; Vitanyi, Paul

    1996-01-01

    Future miniaturization and mobilization of computing devices requires energy parsimonious `adiabatic' computation. This is contingent on logical reversibility of computation. An example is the idea of quantum computations which are reversible except for the irreversible observation steps. We propose to study quantitatively the exchange of computational resources like time and space for irreversibility in computations. Reversible simulations of irreversible computations are memory intensive. Such (polynomial time) simulations are analysed here in terms of `reversible' pebble games. We show that Bennett's pebbling strategy uses least additional space for the greatest number of simulated steps. We derive a trade-off for storage space versus irreversible erasure. Next we consider reversible computation itself. An alternative proof is provided for the precise expression of the ultimate irreversibility cost of an otherwise reversible computation without restrictions on time and space use. A time-irreversibility tra...

  20. A Random Matrix Model of Adiabatic Quantum Computing

    CERN Document Server

    Mitchell, D R; Lue, W; Williams, C P; Mitchell, David R.; Adami, Christoph; Lue, Waynn; Williams, Colin P.

    2004-01-01

    We present an analysis of the quantum adiabatic algorithm for solving hard instances of 3-SAT (an NP-complete problem) in terms of Random Matrix Theory (RMT). We determine the global regularity of the spectral fluctuations of the instantaneous Hamiltonians encountered during the interpolation between the starting Hamiltonians and the ones whose ground states encode the solutions to the computational problems of interest. At each interpolation point, we quantify the degree of regularity of the average spectral distribution via its Brody parameter, a measure that distinguishes regular (i.e., Poissonian) from chaotic (i.e., Wigner-type) distributions of normalized nearest-neighbor spacings. We find that for hard problem instances, i.e., those having a critical ratio of clauses to variables, the spectral fluctuations typically become irregular across a contiguous region of the interpolation parameter, while the spectrum is regular for easy instances. Within the hard region, RMT may be applied to obtain a mathemat...

  1. Differential geometric treewidth estimation in adiabatic quantum computation

    Science.gov (United States)

    Wang, Chi; Jonckheere, Edmond; Brun, Todd

    2016-10-01

    The D-Wave adiabatic quantum computing platform is designed to solve a particular class of problems—the Quadratic Unconstrained Binary Optimization (QUBO) problems. Due to the particular "Chimera" physical architecture of the D-Wave chip, the logical problem graph at hand needs an extra process called minor embedding in order to be solvable on the D-Wave architecture. The latter problem is itself NP-hard. In this paper, we propose a novel polynomial-time approximation to the closely related treewidth based on the differential geometric concept of Ollivier-Ricci curvature. The latter runs in polynomial time and thus could significantly reduce the overall complexity of determining whether a QUBO problem is minor embeddable, and thus solvable on the D-Wave architecture.

  2. Adiabatic Dynamics of Edge Waves in Photonic Graphene

    CERN Document Server

    Ablowitz, M J; Ma, Y -P

    2014-01-01

    The propagation of localized edge modes in photonic honeycomb lattices, formed from an array of adiabatically varying periodic helical waveguides, is considered. Asymptotic analysis leads to an explicit description of the underlying dynamics. Depending on parameters, edge states can exist over an entire period or only part of a period; in the latter case an edge mode can effectively disintegrate and scatter into the bulk. In the presence of nonlinearity, a `time'-dependent one-dimensional nonlinear Schr\\"odinger (NLS) equation describes the envelope dynamics of edge modes. When the average of the `time varying' coefficients yields a focusing NLS equation, soliton propagation is exhibited. For both linear and nonlinear systems, certain long lived traveling modes with minimal backscattering are found; they exhibit properties of topologically protected states.

  3. Lie Symmetrical Perturbation and Adiabatic Invariants of Generalized Hojman Type for Disturbed Nonholonomic Systems

    Institute of Scientific and Technical Information of China (English)

    LUO Shao-Kai

    2007-01-01

    For a nonholonomic mechanics system with the action of small disturbance, the Lie symmetrical perturbation and adiabatic invariants of generalized Hojman type are studied under general infinitesimal transformations of groups in which the generalized coordinates and time are variable. On the basis of the invariance of disturbed nonholonomic dynamical equations under general infinitesimal transformations, the determining equations, the constrained restriction equations and the additional restriction equations of Lie symmetries of the system are constructed, which only depend on the variables t, qs and qs. Based on the definition of higher-order adiabatic invariants of a mechanical system, the perturbation of Lie symmetries for a nonholonomic system with the action of small disturbance is investigated, and the Lie symmetrical adiabatic invariants, the weakly Lie symmetrical adiabatic invariants and the strongly Lie symmetrical adiabatic invariants of generalized Hojman type of disturbed nonholonomic systems are obtained. An example is given to illustrate applications of the results.

  4. On the observability and asymmetry of adiabatic state flips generated by exceptional points

    Energy Technology Data Exchange (ETDEWEB)

    Uzdin, Raam; Moiseyev, Nimrod [Physics Department and Minerva Center for Nonlinear Physics of Complex Systems, Technion-Israel Institute of Technology (Israel); Mailybaev, Alexei, E-mail: raam@technion.ac.il [Institute of Mechanics, Lomonosov Moscow State University (Russian Federation)

    2011-10-28

    In open quantum systems where the effective Hamiltonian is not Hermitian, it is known that the adiabatic (or instantaneous) basis can be multivalued: by adiabatically transporting an eigenstate along a closed loop in the parameter space of the Hamiltonian, it is possible to end up in an eigenstate different from the initial eigenstate. This 'adiabatic flip' effect is an outcome of the appearance of a degeneracy known as an 'exceptional point' inside the loop. We show that contrary to what is expected of the transport properties of the eigenstate basis, the interplay between gain/loss and non-adiabatic couplings imposes fundamental limitations on the observability of this adiabatic flip effect. (paper)

  5. Correlated adiabatic and isocurvature CMB fluctuations in the wake of WMAP

    CERN Document Server

    Valiviita, J; Valiviita, Jussi; Muhonen, Vesa

    2003-01-01

    In the general correlated models, in addition to the usual adiabatic component with a spectral index n_ad1 there is another adiabatic component with a spectral index n_ad2 generated by the entropy perturbation during inflation. We extend the analysis of a correlated mixture of adiabatic and isocurvature CMB fluctuations of the WMAP group, who set the two adiabatic spectral indices equal. Allowing n_ad1 and n_ad2 to vary independently we find that the WMAP data favor models where the two adiabatic components have opposite spectral tilts. Using the WMAP data only, the 2-sigma upper bound for the isocurvature fraction f_iso of the initial power spectrum at k_0=0.05 Mpc^{-1} increases somewhat, e.g., from 0.76 of n_ad2 = n_ad1 models to 0.84 with a prior n_iso < 1.84 for the isocurvature spectral index.

  6. Stimulated Raman adiabatic passage in a three-level superconducting circuit

    Science.gov (United States)

    Kumar, K. S.; Vepsäläinen, A.; Danilin, S.; Paraoanu, G. S.

    2016-02-01

    The adiabatic manipulation of quantum states is a powerful technique that opened up new directions in quantum engineering--enabling tests of fundamental concepts such as geometrical phases and topological transitions, and holding the promise of alternative models of quantum computation. Here we benchmark the stimulated Raman adiabatic passage for circuit quantum electrodynamics by employing the first three levels of a transmon qubit. In this ladder configuration, we demonstrate a population transfer efficiency >80% between the ground state and the second excited state using two adiabatic Gaussian-shaped control microwave pulses. By doing quantum tomography at successive moments during the Raman pulses, we investigate the transfer of the population in time domain. Furthermore, we show that this protocol can be reversed by applying a third adiabatic pulse, we study a hybrid nondiabatic-adiabatic sequence, and we present experimental results for a quasi-degenerate intermediate level.

  7. New Dynamical Scaling Universality for Quantum Networks Across Adiabatic Quantum Phase Transitions

    Science.gov (United States)

    Acevedo, Oscar L.; Rodriguez, Ferney J.; Quiroga, Luis; Johnson, Neil F.; Rey, Ana M.

    2014-05-01

    We reveal universal dynamical scaling behavior across adiabatic quantum phase transitions in networks ranging from traditional spatial systems (Ising model) to fully connected ones (Dicke and Lipkin-Meshkov-Glick models). Our findings, which lie beyond traditional critical exponent analysis and adiabatic perturbation approximations, are applicable even where excitations have not yet stabilized and, hence, provide a time-resolved understanding of quantum phase transitions encompassing a wide range of adiabatic regimes. We show explicitly that even though two systems may traditionally belong to the same universality class, they can have very different adiabatic evolutions. This implies that more stringent conditions need to be imposed than at present, both for quantum simulations where one system is used to simulate the other and for adiabatic quantum computing schemes.

  8. Wigner phase space distribution via classical adiabatic switching

    Energy Technology Data Exchange (ETDEWEB)

    Bose, Amartya [Department of Chemistry, University of Illinois, 600 S. Goodwin Avenue, Urbana, Illinois 61801 (United States); Makri, Nancy [Department of Chemistry, University of Illinois, 600 S. Goodwin Avenue, Urbana, Illinois 61801 (United States); Department of Physics, University of Illinois, 1110 W. Green Street, Urbana, Illinois 61801 (United States)

    2015-09-21

    Evaluation of the Wigner phase space density for systems of many degrees of freedom presents an extremely demanding task because of the oscillatory nature of the Fourier-type integral. We propose a simple and efficient, approximate procedure for generating the Wigner distribution that avoids the computational difficulties associated with the Wigner transform. Starting from a suitable zeroth-order Hamiltonian, for which the Wigner density is available (either analytically or numerically), the phase space distribution is propagated in time via classical trajectories, while the perturbation is gradually switched on. According to the classical adiabatic theorem, each trajectory maintains a constant action if the perturbation is switched on infinitely slowly. We show that the adiabatic switching procedure produces the exact Wigner density for harmonic oscillator eigenstates and also for eigenstates of anharmonic Hamiltonians within the Wentzel-Kramers-Brillouin (WKB) approximation. We generalize the approach to finite temperature by introducing a density rescaling factor that depends on the energy of each trajectory. Time-dependent properties are obtained simply by continuing the integration of each trajectory under the full target Hamiltonian. Further, by construction, the generated approximate Wigner distribution is invariant under classical propagation, and thus, thermodynamic properties are strictly preserved. Numerical tests on one-dimensional and dissipative systems indicate that the method produces results in very good agreement with those obtained by full quantum mechanical methods over a wide temperature range. The method is simple and efficient, as it requires no input besides the force fields required for classical trajectory integration, and is ideal for use in quasiclassical trajectory calculations.

  9. 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.

  10. Ionization chamber smoke detectors

    International Nuclear Information System (INIS)

    One kind of smoke detector, the ionization-type, is regulated by the Atomic Energy Control Board (AECB) because it uses a radioactive substance in its mechanism. Radioactivity and radiation are natural phenomena, but they are not very familiar to the average householder. This has led to a number of questions being asked of the AECB. These questions and AECB responses are outlined

  11. Alkali ionization detector

    Science.gov (United States)

    Hrizo, John; Bauerle, James E.; Witkowski, Robert E.

    1982-01-01

    A calibration filament containing a sodium-bearing compound is included in combination with the sensing filament and ion collector plate of a sodium ionization detector to permit periodic generation of sodium atoms for the in-situ calibration of the detector.

  12. Applications of ionizing radiations

    International Nuclear Information System (INIS)

    The R and D activities of the application of Ionizing Radiations Program is comprised to four subprograms: Food and Agricultural Productions Irradiation; Radiation and Radioisotopes Applications in Industry and Environment; Radioactive Sources and Radiation Applications in Human Health; and Radioactive Facilities and Equipment for Nuclear Techniques Applications

  13. Ionization beam scanner

    CERN Multimedia

    CERN PhotoLab

    1973-01-01

    Inner structure of an ionization beam scanner, a rather intricate piece of apparatus which permits one to measure the density distribution of the proton beam passing through it. On the outside of the tank wall there is the coil for the longitudinal magnetic field, on the inside, one can see the arrangement of electrodes creating a highly homogeneous transverse electric field.

  14. All short pulse multiphoton ionization is resonant ionization

    International Nuclear Information System (INIS)

    Energy resolved photoelectron spectra of multiphoton ionization taken with a 300 fs laser pulse at 616 nm shows that the ionization probability is highly structured as a function of laser intensity. The spectrum is consistent with all of the ionization occurring at intensity resonances

  15. The effect of microhydration on ionization energies of thymine

    Energy Technology Data Exchange (ETDEWEB)

    Khistyev, Kirill; Bravaya, Ksenia B.; Kamarchik, Eugene; Kostko, Oleg; Ahmed, Musahid; Krylov, Anna I.

    2011-01-03

    A combined theoretical and experimental study of the effect of microhydration on ionization energies (IEs) of thymine is presented. The experimental IEs are derived from photoionization efficiency curves recorded using tunable synchrotron VUV radiation. The onsets of the PIE curves are 8.85+-0.05, 8.60+-0.05, 8.55+-0.05, and 8.40+-0.05 eV for thymine, thymine mono-, di-, and tri-hydrates, respectively. The computed (EOM-IP-CCSD/cc-pVTZ) AIEs are 8.90, 8.51, 8.52, and 8.35 eV for thymine and the lowest isomers of thymine mono-, di-, and tri-hydrates. Due to large structural relaxation, the Franck-Condon factors for the 0<-- 0 transitions are very small shifting the apparent PIE onsets to higher energies. Microsolvation strongly affects IEs of thymine -- addition of each water molecule reduces the first vertical IE by 0.10-0.15 eV. The adiabatic IE decreases even more (up to 0.4 eV). The magnitude of the effect varies for different ionized states and for different isomers. For the ionized states that are localized on thymine the dominant contribution to the IE reduction is the electrostatic interaction between the delocalized positive charge on thymine and the dipole moment of the water molecule.

  16. Composite electron propagator methods for calculating ionization energies

    Science.gov (United States)

    Díaz-Tinoco, Manuel; Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V.

    2016-06-01

    Accurate ionization energies of molecules may be determined efficiently with composite electron-propagator (CEP) techniques. These methods estimate the results of a calculation with an advanced correlation method and a large basis set by performing a series of more tractable calculations in which large basis sets are used with simpler approximations and small basis sets are paired with more demanding correlation techniques. The performance of several CEP methods, in which diagonal, second-order electron propagator results with large basis sets are combined with higher-order results obtained with smaller basis sets, has been tested for the ionization energies of closed-shell molecules from the G2 set. Useful compromises of accuracy and computational efficiency employ complete-basis-set extrapolation for second-order results and small basis sets in third-order, partial third-order, renormalized partial-third order, or outer valence Green's function calculations. Analysis of results for vertical as well as adiabatic ionization energies leads to specific recommendations on the best use of regular and composite methods. Results for 22 organic molecules of interest in the design of photovoltaic devices, benzo[a]pyrene, Mg-octaethylporphyrin, and C60 illustrate the capabilities of CEP methods for calculations on large molecules.

  17. Composite electron propagator methods for calculating ionization energies.

    Science.gov (United States)

    Díaz-Tinoco, Manuel; Dolgounitcheva, O; Zakrzewski, V G; Ortiz, J V

    2016-06-14

    Accurate ionization energies of molecules may be determined efficiently with composite electron-propagator (CEP) techniques. These methods estimate the results of a calculation with an advanced correlation method and a large basis set by performing a series of more tractable calculations in which large basis sets are used with simpler approximations and small basis sets are paired with more demanding correlation techniques. The performance of several CEP methods, in which diagonal, second-order electron propagator results with large basis sets are combined with higher-order results obtained with smaller basis sets, has been tested for the ionization energies of closed-shell molecules from the G2 set. Useful compromises of accuracy and computational efficiency employ complete-basis-set extrapolation for second-order results and small basis sets in third-order, partial third-order, renormalized partial-third order, or outer valence Green's function calculations. Analysis of results for vertical as well as adiabatic ionization energies leads to specific recommendations on the best use of regular and composite methods. Results for 22 organic molecules of interest in the design of photovoltaic devices, benzo[a]pyrene, Mg-octaethylporphyrin, and C60 illustrate the capabilities of CEP methods for calculations on large molecules. PMID:27305999

  18. Assignment of Side-Chain Conformation Using Adiabatic Energy Mapping, Free Energy Perturbation, and Molecular Dynamic Simulations

    DEFF Research Database (Denmark)

    Frimurer, Thomas M.; Günther, Peter H.; Sørensen, Morten Dahl;

    1999-01-01

    adiabatic mapping, conformational change, essentialdynamics, free energy simulations, Kunitz type inhibitor *ga3(VI)......adiabatic mapping, conformational change, essentialdynamics, free energy simulations, Kunitz type inhibitor *ga3(VI)...

  19. Electrochemical reactions and ionization processes

    OpenAIRE

    Girault, Hubert; Liu, Baohong; Qiao, Liang; Bi, Hongyan; Prudent, Michel; Lion, Niels; Abonnenc, Mélanie

    2010-01-01

    Electrochemical or photo-electrochemical reactions in both electrospray ionization and laser desorption ionization are discussed stressing the role of the electrode reaction in influencing the ionization process. In particular, upon application of a high voltage during electrospray ionization, the emitter includes a working electrode, where redox reactions are observed, such as electro-generation of benzoquinone and metal ions. In contrast, the target plate in laser-induced desorption ionizat...

  20. The isolation and identification of apolipoprotein C-I in hormone-refractory prostate cancer using surface-enhanced laser desorption/ionization time-of-flight mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    Kaori Yamamoto-Ishikawa; Hiroyoshi Suzuki; Masahiko Nezu; Naoto Kamiya; Takashi Imamoto; Akira Komiya; Kazuyuki Sogawa; Takeshi Tomonaga; Fumio Nomura; Tomohiko Ichikawa

    2009-01-01

    Androgens play a central role in prostate cancer pathogenesis, and hence most of the patients respond to androgen deprivation therapies. However, patients tend to relapse with aggressive prostate cancer, which has been termed as hormone refractory. To identify the proteins that mediate progression to the hormone-refractory state, we used protein-chip technology for mass profiling of patients' sera. This study included 16 patients with metastatic hormone-refractory prostate cancer who were initially treated with androgen deprivation therapy. Serum samples were collected from each patient at five time points: point A, pre-treatment; point B, at the nadir of the prostate-specific antigen (PSA) level; point C, PSA failure; point D, the early hormone-refractory phase; and point E, the late hormone-refractory phase. Using surface-enhanced laser desorption/ionization time-of-flight mass spectrometry, we performed protein mass profiling of the patients' sera and identified a 6 640-Da peak that increased with disease progression. Target proteins were partially purified, and by amino acid sequencing the peak was identified as a fragment of apolipoprotein C-I (ApoC-I). Serum ApoC-I protein levels increased with disease progression. On immunohistochemical analysis, the ApoC-I protein was found localized to the cytoplasm of the hormone-refractory cancer cells. In this study, we showed an increase in serum ApoC-I protein levels in prostate cancer patients during their progression to the hormone-refractory state, which suggests that ApoC-I protein is related to progression of prostate cancer. However, as the exact role of ApoC-I in prostate cancer pathogenesis is unclear, further research is required.

  1. Comparison of PCR/Electron spray Ionization-Time-of-Flight-Mass Spectrometry versus Traditional Clinical Microbiology for active surveillance of organisms contaminating high-use surfaces in a burn intensive care unit, an orthopedic ward and healthcare workers

    Directory of Open Access Journals (Sweden)

    Yun Heather C

    2012-10-01

    Full Text Available Abstract Background Understanding nosocomial pathogen transmission is restricted by culture limitations. Novel platforms, such as PCR-based electron spray ionization-time-of-flight-mass spectrometry (ESI-TOF-MS, may be useful as investigational tools. Methods Traditional clinical microbiology (TCM and PCR/ESI-TOF-MS were used to recover and detect microorganisms from the hands and personal protective equipment of 10 burn intensive care unit (ICU healthcare workers providing clinical care at a tertiary care military referral hospital. High-use environmental surfaces were assessed in 9 burn ICU and 10 orthopedic patient rooms. Clinical cultures during the study period were reviewed for pathogen comparison with investigational molecular diagnostic methods. Results From 158 samples, 142 organisms were identified by TCM and 718 by PCR/ESI-TOF-MS. The molecular diagnostic method detected more organisms (4.5 ± 2.1 vs. 0.9 ± 0.8, p S. aureus in 13 samples vs. 21 by PCR/ESI-TOF-MS. Gram-negative organisms were less commonly identified than gram-positive by both methods; especially by TCM. Among all detected bacterial species, similar percentages were typical nosocomial pathogens (18-19% for TCM vs. PCR/ESI-TOF-MS. PCR/ESI-TOF-MS also detected mecA in 112 samples, vanA in 13, and KPC-3 in 2. MecA was associated (p S. aureus. No vanA was codetected with enterococci; one KPC-3 was detected without Klebsiella spp. Conclusions In this pilot study, PCR/ESI-TOF-MS detected more organisms, especially gram-negatives, compared to TCM, but the current assay format is limited by the number of antibiotic resistance determinants it covers. Further large-scale assessments of PCR/ESI-TOF-MS for hospital surveillance are warranted.

  2. Multiphoton ionization of polarized atoms

    International Nuclear Information System (INIS)

    A theory is derived for the multiphoton ionization of polarized atoms. The angular distributions of the differential and total ionization probabilities are studied for various polarizations of the electromagnetic radiation. The circular dichroism is also studied. The multiphoton ionization of oriented s-state atoms near a resonance is studied separately. Some relevant experiments which might be carried out are discussed

  3. Multiphoton ionization of polarized atoms

    International Nuclear Information System (INIS)

    A theory of multiphoton ionization of polarized atoms is developed. The angular dependences of the different and total ionization probabilities for various polarizations of the radiation and the circular dichroism effect are investigated. Multiphoton ionization of oriented in the s-states near resonance is considered separately

  4. Quantum-mechanical approach to predissociation of water dimers in the vibrational adiabatic representation: Importance of channel interactions

    Science.gov (United States)

    Mineo, H.; Niu, Y. L.; Kuo, J. L.; Lin, S. H.; Fujimura, Y.

    2015-08-01

    The results of application of the quantum-mechanical adiabatic theory to vibrational predissociation (VPD) of water dimers, (H2O)2 and (D2O)2, are presented. We consider the VPD processes including the totally symmetric OH mode of the dimer and the bending mode of the fragment. The VPD in the adiabatic representation is induced by breakdown of the vibrational adiabatic approximation, and two types of nonadiabatic coupling matrix elements are involved: one provides the VPD induced by the low-frequency dissociation mode and the other provides the VPD through channel interactions induced by the low-frequency modes. The VPD rate constants were calculated using the Fermi golden rule expression. A closed form for the nonadiabatic transition matrix element between the discrete and continuum states was derived in the Morse potential model. All of the parameters used were obtained from the potential surfaces of the water dimers, which were calculated by the density functional theory procedures. The VPD rate constants for the two processes were calculated in the non-Condon scheme beyond the so-called Condon approximation. The channel interactions in and between the initial and final states were taken into account, and those are found to increase the VPD rates by 3(1) orders of magnitude for the VPD processes in (H2O)2 ((D2O)2). The fraction of the bending-excited donor fragments is larger than that of the bending-excited acceptor fragments. The results obtained by quantum-mechanical approach are compared with both experimental and quasi-classical trajectory calculation results.

  5. Scaling laws and deformation mechanisms of nanoporous copper under adiabatic uniaxial strain compression

    Directory of Open Access Journals (Sweden)

    Fuping Yuan

    2014-12-01

    Full Text Available A series of large-scale molecular dynamics simulations were conducted to investigate the scaling laws and the related atomistic deformation mechanisms of Cu monocrystal samples containing randomly placed nanovoids under adiabatic uniaxial strain compression. At onset of yielding, plastic deformation is accommodated by dislocations emitted from void surfaces as shear loops. The collapse of voids are observed by continuous emissions of dislocations from void surfaces and their interactions with further plastic deformation. The simulation results also suggest that the effect modulus, the yield stress and the energy aborption density of samples under uniaxial strain are linearly proportional to the relative density ρ. Moreover, the yield stress, the average flow stress and the energy aborption density of samples with the same relative density show a strong dependence on the void diameter d, expressed by exponential relations with decay coefficients much higher than -1/2. The corresponding atomistic mechanisms for scaling laws of the relative density and the void diameter were also presented. The present results should provide insights for understanding deformation mechanisms of nanoporous metals under extreme conditions.

  6. Accurate non-adiabatic quantum dynamics from pseudospectral sampling of time-dependent Gaussian basis sets

    Science.gov (United States)

    Heaps, Charles W.; Mazziotti, David A.

    2016-08-01

    Quantum molecular dynamics requires an accurate representation of the molecular potential energy surface from a minimal number of electronic structure calculations, particularly for nonadiabatic dynamics where excited states are required. In this paper, we employ pseudospectral sampling of time-dependent Gaussian basis functions for the simulation of non-adiabatic dynamics. Unlike other methods, the pseudospectral Gaussian molecular dynamics tests the Schrödinger equation with N Dirac delta functions located at the centers of the Gaussian functions reducing the scaling of potential energy evaluations from O ( N 2 ) to O ( N ) . By projecting the Gaussian basis onto discrete points in space, the method is capable of efficiently and quantitatively describing the nonadiabatic population transfer and intra-surface quantum coherence. We investigate three model systems: the photodissociation of three coupled Morse oscillators, the bound state dynamics of two coupled Morse oscillators, and a two-dimensional model for collinear triatomic vibrational dynamics. In all cases, the pseudospectral Gaussian method is in quantitative agreement with numerically exact calculations. The results are promising for nonadiabatic molecular dynamics in molecular systems where strongly correlated ground or excited states require expensive electronic structure calculations.

  7. 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.

  8. Energy-Efficient and Secure S-Box circuit using Symmetric Pass Gate Adiabatic Logic

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Dinesh [University of Kentucky, Lexington; Mohammad, Azhar [University of Kentucky, Lexington; Singh, Vijay [University of Kentucky, Lexington; Perumalla, Kalyan S [ORNL

    2016-01-01

    Differential Power Analysis (DPA) attack is considered to be a main threat while designing cryptographic processors. In cryptographic algorithms like DES and AES, S-Box is used to indeterminate the relationship between the keys and the cipher texts. However, S-box is prone to DPA attack due to its high power consumption. In this paper, we are implementing an energy-efficient 8-bit S-Box circuit using our proposed Symmetric Pass Gate Adiabatic Logic (SPGAL). SPGAL is energy-efficient as compared to the existing DPAresistant adiabatic and non-adiabatic logic families. SPGAL is energy-efficient due to reduction of non-adiabatic loss during the evaluate phase of the outputs. Further, the S-Box circuit implemented using SPGAL is resistant to DPA attacks. The results are verified through SPICE simulations in 180nm technology. SPICE simulations show that the SPGAL based S-Box circuit saves upto 92% and 67% of energy as compared to the conventional CMOS and Secured Quasi-Adiabatic Logic (SQAL) based S-Box circuit. From the simulation results, it is evident that the SPGAL based circuits are energy-efficient as compared to the existing DPAresistant adiabatic and non-adiabatic logic families. In nutshell, SPGAL based gates can be used to build secure hardware for lowpower portable electronic devices and Internet-of-Things (IoT) based electronic devices.

  9. Recent developments in trapping and manipulation of atoms with adiabatic potentials

    Science.gov (United States)

    Garraway, Barry M.; Perrin, Hélène

    2016-09-01

    A combination of static and oscillating magnetic fields can be used to ‘dress’ atoms with radio-frequency (RF), or microwave, radiation. The spatial variation of these fields can be used to create an enormous variety of traps for ultra-cold atoms and quantum gases. This article reviews the type and character of these adiabatic traps and the applications which include atom interferometry and the study of low-dimensional quantum systems. We introduce the main concepts of magnetic traps leading to adiabatic dressed traps. The concept of adiabaticity is discussed in the context of the Landau-Zener model. The first bubble trap experiment is reviewed together with the method used for loading it. Experiments based on atom chips show the production of double wells and ring traps. Dressed atom traps can be evaporatively cooled with an additional RF field, and a weak RF field can be used to probe the spectroscopy of the adiabatic potentials. Several approaches to ring traps formed from adiabatic potentials are discussed, including those based on atom chips, time-averaged adiabatic potentials and induction methods. Several proposals for adiabatic lattices with dressed atoms are also reviewed.

  10. Ionization by nuclear transitions

    International Nuclear Information System (INIS)

    A phenomenological description of ionization events is given that applies to both shaking transitions of the composite nucleus-atom system and the process in which the charged particles emitted in a nuclear decay transfer energy by a relatively slow ''direct collision'' final state interaction with atomic electrons. Specific areas covered include shakeoff in internal conversion, shakeoff in electron capture, shakeoff in beta decay, and inner electron ejection in alpha decay. (5 figs., 1 table)

  11. Electrospray Ionization Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, Ryan T.; Marginean, Ioan; Tang, Keqi

    2014-06-13

    Electrospray Ionization (ESI) is a process whereby gas phase ions are created from molecules in solution. As a solution exits a narrow tube in the presence of a strong electric field, an aerosol of charged droplets are is formed that produces gas phase ions as they it desolvates. ESI-MS comprises the creation of ions by ESI and the determination of their mass to charge ratio (m/z) by MS.

  12. Application of ionizing radiations

    International Nuclear Information System (INIS)

    The main subject of the application of Ionizing Radiations Program is to disseminate and consolidate techniques leading to the use of the radiation technology and radioisotopes application in Industry, Human Health, Agriculture and Environmental Preservation. This Program is divided into four subprograms: 1) Food and Agricultural Products Irradiation; 2) Radiation and Radioisotopes Applications in Industry and Environment; Radioactive Sources and Radiation Applications in Human Health; Radioactive Facilities and Equipment for Nuclear Techniques Applications

  13. Pregnancy and ionizing radiation

    International Nuclear Information System (INIS)

    Full text: In this report there will be presented the effects of ionizing radiation at the fetus and the necessary radioprotection. The biological results on the fetus, caused by the irradiation, depend on the dose of ionizing radiation that it receives and the phase of its evolution. The imminent effects of the irradiation can cause the fetus death, abnormalities and mental retardation, which are the result of overdose. The effects are carcinogenesis and leukemia, which are relative to the acceptable irradiating dose at the fetus and accounts about 0,015 % per 1 mSv. The effects of ionizing radiation depend on the phase of the fetus evolution: 1st phase (1st - 2nd week): presence of low danger; 2nd phase (3rd - 8th week): for doses >100 mSv there is the possibility of dysplasia; 3rd phase (8th week - birth): this phase concerns the results with a percentage 0,015 % per 1 mSv. We always must follow some rules of radioprotection and especially at Classical radiation use of necessary protocols (low dose), at Nuclear Medicine use of the right radioisotope and the relative field of irradiation for the protection of the adjacent healthy tissues and at Radiotherapy extreme caution is required regarding the dose and the treatment. In any case, it is forbidden to end a pregnancy when the pregnant undergoes medical exams, in which the uterus is in the beam of irradiation. The radiographer must always discuss the possibility of pregnancy. (author)

  14. Perturbation of Symmetries and Mei Adiabatic Invariants of Nonholonomic Systems with Servoconstraints

    Institute of Scientific and Technical Information of China (English)

    XIA Li-Li; LI Yuan-Cheng; ZHAO Xian-Lin

    2008-01-01

    The perturbation of symmetries and Mei adiabatic invariants of nonholonomic systems with servocon-straints are studied. The exact invariants in the form of Mei conserved quantities introduced by the Mei symmetry of nonholonomic systems with servoconstraints without perturbations are given. Based on the definition of higher-order adiabatic invariants of mechanical systems, the perturbation of Mei symmetries for nonholonomic systems with servocon-straints under the action of small disturbance is investigated, and Mei adiabatic invatiants of the system are obtained. An example is given to illustrate the application of the results.

  15. A relativistically exact Eikonal equation for optical fibers with application to adiabatically deforming ring interferometers

    CERN Document Server

    Avron, Joseph

    2016-01-01

    We derive the relativistically exact Eikonal equation for ring interferometers undergoing adiabatic deformations. The leading term in the adiabatic expansion of the phase shift is independent of the refraction index $n$ and is given by a line integral generalizing results going back to Sagnac to all orders in $\\beta$. The next term in the adiabaticity is of lower order in $\\beta$ and may be as important as the first in nonrelativistic cases. This term is proportional to $n^2$ and has the form of a double integral. It generalizes previous results to fibers with chromatic dispersion and puts Sagnac and Fizeau interferometers under a single umbrella.

  16. Amplitudes of solar-like oscillations in red-giant stars: Evidences for non-adiabatic effects using CoRoT observations

    CERN Document Server

    Samadi, R; Dupret, M -A; Ludwig, H -G; Baudin, F; Caffau, E; Goupil, M -J; Barban, C

    2012-01-01

    A growing number of solar-like oscillations has been detected in red-giant stars thanks to CoRoT and Kepler space-crafts. The seismic data gathered by CoRoT on red-giant stars allow us to test mode driving theory in different physical conditions than main-sequence stars. Using a set of 3D hydrodynamical models representative of the upper layers of sub- and red-giant stars, we compute the acoustic modes energy supply rate (Pmax). Assuming adiabatic pulsations and using global stellar models where the surface stratification comes from the 3D hydrodynamical models, mode amplitude is computed in terms of surface velocity. The latter is then converted into intensity fluctuations using either a simplified adiabatic scaling relation or a non-adiabatic one. Given L and M (the luminosity and mass respectively), the energy supply rate Pmax is found to scale as (L/M)^(2.6) for both main-sequence and red-giant stars, extending previous results by Samadi et al. (2007). The theoretical amplitudes in velocity under-estimate...

  17. Initial adsorption of O 2 on Si(1 0 0): Non-adiabaticity originating both from a discrete and a continuous set of electronic excitations

    Science.gov (United States)

    Hellman, A.

    2009-01-01

    The initial adsorption of O2 on Si(1 0 0) is investigated by density-functional theory calculations. The potential energy surface shows strong corrugations which can be interpreted as precursor states, however, there are also large areas where adsorption proceeds without a barrier. Furthermore, the initial sticking probability as a function of translational energy using first-principles molecular dynamics is calculated. The result is in disagreement with measurements of sticking probability which vary from high-low-high values as the translational energy of the oxygen molecules increase. A simple non-adiabatic model is put-forth that explains not only the measured sticking probability, but also have a novel interpretation of the increased sticking probability owing to tensile stress. The model deals with non-adiabatic effects originating both from a discrete and continuous set of electronic excitations. The implications are general and can be applied to other systems.

  18. Spontaneous-Desorption Ionizer for a TOF-MS

    Science.gov (United States)

    Schultz, J. Albert

    2006-01-01

    A time-of-flight mass spectrometer (TOF-MS) like the one mentioned in the immediately preceding article has been retrofitted with an ionizer based on a surface spontaneous-desorption process. This ionizer includes an electron multiplier in the form of a microchannel plate (MCP). Relative to an ionizer based on a hot-filament electron source, this ionizer offers advantages of less power consumption and greater mechanical ruggedness. The current density and stability characteristics of the electron emission of this ionizer are similar to those of a filament-based ionizer. In tests of various versions of this ionizer in the TOF-MS, electron currents up to 100 nA were registered. Currents of microamperes or more - great enough to satisfy requirements in most TOFMS applications - could be obtained by use of MCPs different from those used in the tests, albeit at the cost of greater bulk. One drawback of this ionizer is that the gain of the MCP decreases as a function of the charge extracted thus far; the total charge that can be extracted over the operational lifetime is about 1 coulomb. An MCP in the ion-detector portion of the TOF-MS is subject to the same limitation.

  19. Cosmological consequences of an adiabatic matter creation process

    Science.gov (United States)

    Nunes, Rafael C.; Pan, Supriya

    2016-06-01

    In this paper, we investigate the cosmological consequences of a continuous matter creation associated with the production of particles by the gravitational field acting on the quantum vacuum. To illustrate this, three phenomenological models are considered. An equivalent scalar field description is presented for each models. The effects on the cosmic microwave background power spectrum are analysed for the first time in the context of adiabatic matter creation cosmology. Further, we introduce a model independent treatment, Om, which depends only on the Hubble expansion rate and the cosmological redshift to distinguish any cosmological model from Λ cold dark matter by providing a null test for the cosmological constant, meaning that, for any two redshifts z1, z2, Om(z) is same, i.e. Om(z1) - Om(z2) = 0. Also, this diagnostic can differentiate between several cosmological models by indicating their quintessential/phantom behaviour without knowing the accurate value of the matter density, and the present value of the Hubble parameter. For our models, we find that particle production rate is inversely proportional to Om. Finally, the validity of the generalized second law of thermodynamics bounded by the apparent horizon has been examined.

  20. Adiabatic photo-steering theory in topological insulators

    International Nuclear Information System (INIS)

    Feasible external control of material properties is a crucial issue in condensed matter physics. A new approach to achieving this aim, named adiabatic photo-steering, is reviewed. The core principle of this scheme is that several material constants are effectively turned into externally tunable variables by irradiation of monochromatic laser light. Two-dimensional topological insulators are selected as the optimal systems that exhibit a prominent change in their properties following the application of this method. Two specific examples of photo-steered quantum phenomena, which reflect topological aspects of the electronic systems at hand, are presented. One is the integer quantum Hall effect described by the Haldane model, and the other is the quantum spin Hall effect described by the Kane–Mele model. The topological quantities associated with these phenomena are the conventional Chern number and spin Chern number, respectively. A recent interesting idea, time-reversal symmetry breaking via a temporary periodic external stimulation, is also discussed. (focus issue review)