Adiabaticity and diabaticity in strong-field ionization
Karamatskou, Antonia; Santra, Robin
2013-01-01
If the photon energy is much less than the electron binding energy, ionization of an atom by a strong optical field is often described in terms of electron tunneling through the potential barrier resulting from the superposition of the atomic potential and the potential associated with the instantaneous electric component of the optical field. In the strict tunneling regime, the electron response to the optical field is said to be adiabatic, and nonadiabatic effects are assumed to be negligible. Here, we investigate to what degree this terminology is consistent with a language based on the so-called adiabatic representation. This representation is commonly used in various fields of physics. For electronically bound states, the adiabatic representation yields discrete potential energy curves that are connected by nonadiabatic transitions. When applying the adiabatic representation to optical strong-field ionization, a conceptual challenge is that the eigenstates of the instantaneous Hamiltonian form a continuu...
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
Hot-electron nanoscopy using adiabatic compression of surface plasmons
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.
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.
The best of both Reps—Diabatized Gaussians on adiabatic surfaces
Meek, Garrett A.; Levine, Benjamin G.
2016-11-01
When simulating nonadiabatic molecular dynamics, choosing an electronic representation requires consideration of well-known trade-offs. The uniqueness and spatially local couplings of the adiabatic representation come at the expense of an electronic wave function that changes discontinuously with nuclear motion and associated singularities in the nonadiabatic coupling matrix elements. The quasi-diabatic representation offers a smoothly varying wave function and finite couplings, but identification of a globally well-behaved quasi-diabatic representation is a system-specific challenge. In this work, we introduce the diabatized Gaussians on adiabatic surfaces (DGAS) approximation, a variant of the ab initio multiple spawning (AIMS) method that preserves the advantages of both electronic representations while avoiding their respective pitfalls. The DGAS wave function is expanded in a basis of vibronic functions that are continuous in both electronic and nuclear coordinates, but potentially discontinuous in time. Because the time-dependent Schrödinger equation contains only first-order derivatives with respect to time, singularities in the second-derivative nonadiabatic coupling terms (i.e., diagonal Born-Oppenheimer correction; DBOC) at conical intersections are rigorously absent, though singular time-derivative couplings remain. Interpolation of the electronic wave function allows the accurate prediction of population transfer probabilities even in the presence of the remaining singularities. We compare DGAS calculations of the dynamics of photoexcited ethene to AIMS calculations performed in the adiabatic representation, including the DBOC. The 28 fs excited state lifetime observed in DGAS simulations is considerably shorter than the 50 fs lifetime observed in the adiabatic simulations. The slower decay in the adiabatic representation is attributable to the large, repulsive DBOC in the neighborhood of conical intersections. These repulsive DBOC terms are artifacts
Adiabatic Isometric Mapping Algorithm for Embedding 2-Surfaces in Euclidean 3-Space
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.
Adiabatic isometric mapping algorithm for embedding 2-surfaces in Euclidean 3-space
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.
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.
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.
Non-Adiabatic Dynamics around a Conical Intersection with Surface-Hopping Coupled Coherent States
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...
Density matrix treatment of non-adiabatic photoinduced electron transfer at a semiconductor surface.
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.
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
Exciton spectrum of surface-corrugated quantum wells: the adiabatic self-consistent approach
Energy Technology Data Exchange (ETDEWEB)
Atenco A, N.; Perez R, F. [lnstituto de Fisica, Universidad Autonoma de Puebla, A.P. J-48, 72570 Puebla (Mexico); Makarov, N.M. [lnstituto de Ciencias, Universidad Autonoma de Puebla, Priv. 17 Norte No 3417, Col. San Miguel Hueyotlipan, 72050 Puebla (Mexico)
2005-07-01
A theory for calculating the relaxation frequency {nu} and the shift {delta} {omega} of exciton resonances in quantum wells with finite potential barriers and adiabatic surface disorder is developed. The adiabaticity implies that the correlation length R{sub C} for the well width fluctuations is much larger than the exciton radius a{sub 0} (R{sub C} >> a{sub 0}). Our theory is based on the self-consistent Green's function method, and therefore takes into account the inherent action of the exciton scattering on itself. The self-consistent approach is shown to describe quantitatively the sharp exciton resonance. It also gives the qualitatively correct resonance picture for the transition to the classical limit, as well as within the domain of the classical limit itself. We present and analyze results for h h-exciton in a GaAs quantum well with Al{sub 0.3} Ga{sub 0.7}As barriers. It is established that the self-consistency and finite height of potential barriers significantly influence on the line-shape of exciton resonances, and make the values of {nu} and {delta} {omega} be quite realistic. In particular, the relaxation frequency {nu} for the ground-state resonance has a broad, almost symmetric maximum near the resonance frequency {omega}{sub 0}, while the surface-induced resonance shift {delta} {omega} vanishes near {omega}{sub 0}, and has different signs on the sides of the exciton resonance. (Author) 43 refs., 4 figs.
Surface Waves in the paritally ionized solar plasma slab
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.
Ionization by ion impact at grazing incidence on insulator surface
Martiarena, M L
2003-01-01
We have calculated the energy distribution of electrons produced by ionization of the ionic crystal electrons in grazing fast ion-insulator surface collision. The ionized electrons originate in the 2p F sup - orbital. We observe that the binary peak appears as a double change in the slope of the spectra, in the high energy region. The form of the peak is determined by the initial electron distribution and its position will be affected by the binding energy of the 2p F sup - electron in the crystal. This BEP in insulator surfaces will appear slightly shifted to the low energy side with respect the ion-atom one.
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.
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.
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.
Ionization efficiency estimations for the SPES surface ion source
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.
Biological decontamination of surfaces using guided ionization waves
Jarrige, Julien; Zaepffel, Clement
2016-09-01
Atmospheric pressure plasma jets have received an increasing attention these last ten years in various domains, including biomedical applications and decontamination. Among these technologies, guided ionization waves (also called ``plasma bullets'') are very promising because of their ability to produce a highly non-equilibrium plasma. Reactive species can be generated in the open air over a long distance during the propagation of the wave (typically: several cm), while the background gas remains at ambient temperature. A non-thermal plasma system has been developed and tested for the biological decontamination of surfaces. It consists of a dielectric barrier discharge in a helium flow driven by high voltage pulses. The propagation of the ionization wave and the spatial distribution of the species have been characterized by high speed imaging and optical emission spectroscopy. The influence of the discharge parameters on the plasma properties is investigated. Results of decontamination on several bacteria are shown, and the decontamination efficiency is compared with the plasma properties.
Ionization dynamics of water dimer on ice surface
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.
Surface Structure of Thin Films of Multifunctional Ionizable Copolymers
Wickramasinghe, Anuradhi; Perahia, Dvora
Phase segregation results in a rich variety of structures in co-polymers where interfacial forces often dominate the structure of thin films. Introduction of ionizable segments often drives the formation of compounded structures with multiple blocks residing at the interfaces. Here we probe thin films, 40-50nm, of an A-B-C-B-A co-polymer where C is a randomly sulfonated polystyrene with sulfonation fractions of 0, 26 and 52 mole %, B is poly (ethylene-r-propylene), and A is poly (t-butyl styrene) as the sulfonation level and temperature are varied using Neutron Reflectivity AFM, and surface tension measurements. As cast films form layers with both hydrophobic blocks dominating the solid and air interfaces and the ionizable block segregating to the center. Following annealing at 1700C, above Tg of styrene sulfonate, the films coarsen, with surface aggregation dominating the structure, though interfacial regions remain dominated by the hydrophobic segments. We show that in contrast to non-ionic co-polymers, formation of micelles dominated the structure of these ionic structured films. Supported in part by DOE Grant No. DE-SC007908.
Amendt, Peter; Wilks, Scott
2012-01-01
The plasma analog of an adiabatic lapse rate (or temperature variation with height) in atmospheric physics is obtained. A new source of plasma temperature gradient in a binary ion species mixture is found that is proportional to the concentration gradient and difference in average ionization states . Application to inertial-confinement-fusion implosions indicates a potentially strong effect in plastic (CH) ablators that is not modeled with mainline (single-fluid) simulations. An associated plasma thermodiffusion coefficient is derived, and charge-state diffusion in a single-species plasma is also predicted.
Beltran Madrigal, Josslyn; Berthel, Martin; Gardillou, Florent; Tellez Limon, Ricardo; Couteau, Christophe; Barbier, Denis; Drezet, Aurelien; Salas-Montiel, Rafael; Huant, Serge; Blaize, Sylvain; Geng, Wei
2015-10-01
Several works have already shown that the excitation of plasmonic structures through waveguides enables a strong light confinement and low propagation losses [1]. This kind of excitation is currently exploited in areas such as biosensing [2], nanocircuits[3] and spectroscopy[4]. The efficient excitation of surface plasmon modes (SPP) with guided modes supported by high-index-contrast waveguides, such as silicon-on-insulator waveguides, had already been shown [1,5]. However, the use of weakconfined guided modes of a glass ion exchanged waveguide as a SPP excitation source represents a technological challenge, because the mismatch between the size of their respective electromagnetic modes is so high that the resultant coupling loss is unacceptable for practical applications. In this work, we describe how an adiabatic taper structure formed by an intermediate high-index-contrast layer placed between a plasmonic structure and an ion-exchanged waveguide decreases the mismatch between effective indices, size, and shape of the guided modes. This hybrid structure concentrates the electromagnetic energy from the micrometer to the nanometer scale with low coupling losses to radiative modes. The electromagnetic mode confined to the high-index-contrast waveguide then works as an efficient source of SPP supported by metallic nanostructures placed on its surface. We theoretically studied the modal properties and field distribution along the adiabatic coupler structure. In addition, we fabricated a high-index-contrast waveguide by electron beam lithography and thermal evaporation on top of an ion-exchanged waveguide on glass. This structure was characterized with the use of near field scanning optical microscopy (NSOM). Numerical simulations were compared with the experimental results. [1] N. Djaker, R. Hostein, E. Devaux, T. W. Ebbesen, and H. Rigneault, and J. Wenger, J. Phys. Chem. C 114, 16250 (2010). [2] P. Debackere, S. Scheerlinck, P. Bienstman, R. Baets, Opt. Express 14
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.
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.
On the topology of adiabatic passage
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.
Measurement of surface alpha-acrivity of different samples with ion pulse ionization chamber
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.
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...
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.
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.
Variation in Surface Ionization Potentials of Pristine and Hydrated BiVO4.
Crespo-Otero, Rachel; Walsh, Aron
2015-06-18
Bismuth vanadate (BiVO4) is a promising material for photoelectrochemical water splitting and photocatalytic degradation of organic moieties. We evaluate the ionization potentials of the (010) surface termination of BiVO4 using first-principles simulations. The electron removal energy of the pristine termination (7.2 eV) validates recent experimental reports. The effect of water absorption on the ionization potentials is considered using static models as well as structures obtained from molecular dynamics simulations. Owing to the large molecular dipole of H2O, adsorption stabilizes the valence band edge (downward band bending), thereby increasing the ionization potentials. These results provide new understanding to the role of polar layers on complex oxide semiconductors, with importance for the design of efficient photoelectrodes for water splitting.
Dissociation and dissociative ionization of H2+ using the time-dependent surface flux method
Yue, Lun
2014-01-01
The time-dependent surface flux method developed for the description of electronic spectra [L. Tao and A. Scrinzi, New J. Phys. 14, 013021 (2012); A. Scrinzi, New J. Phys. 14, 085008 (2012)] is extended to treat dissociation and dissociative ionization processes of H2+ interacting with strong laser pulses. By dividing the simulation volume into proper spatial regions associated with the individual reaction channels and monitoring the probability flux, the joint energy spectrum for the dissociative ionization process and the energy spectrum for dissociation is obtained. The methodology is illustrated by solving the time-dependent Schr\\"{o}dinger equation (TDSE) for a collinear one-dimensional model of H2+ with electronic and nuclear motions treated exactly and validated by comparison with published results for dissociative ionization. The results for dissociation are qualitatively explained by analysis based on dressed diabatic Floquet potential energy curves, and the method is used to investigate the breakdow...
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.
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
Thomas, Brian C; Neale, Patrick J; Snyder, Brock R
2015-03-01
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 Tropospheric Ultraviolet and Visible (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 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 very limited geographical areas; instead we found a net increase for most of the modeled time-space region. This result has implications for proposed climate changes associated with ionizing radiation events.
Isothermal and Adiabatic Measurements.
McNairy, William W.
1996-01-01
Describes the working of the Adiabatic Gas Law Apparatus, a useful tool for measuring the pressure, temperature, and volume of a variety of gases undergoing compressions and expansions. Describes the adaptation of this apparatus to perform isothermal measurements and discusses the theory behind the adiabatic and isothermal processes. (JRH)
Li, Quan-Song; Zhang, Feng; Fang, Wei-Hai; Yu, Jian-Guo
2006-02-07
In the present work, the wavelength-dependent mechanistic photochemistry of glyoxal in the gas phase has been explored by ab initio calculations of potential-energy surfaces, surface crossing points, and adiabatic and nonadiabatic rates. The CHOCHO molecules in S1 by photoexcitation at 393-440 nm mainly decay to the ground state via internal conversion, which is followed by molecular eliminations to form CO, H2CO,H2, and HCOH. Upon photodissociation of CHOCHO at 350-390 nm, intersystem crossing to T1 followed by the C-C bond cleavage is the dominant process in this wavelength range, which is responsible for the formation of the CHO radicals. The C-C and C-H bond cleavages along the S1 pathway are energetically accessible upon photodissociation of CHOCHO at 290-310 nm, which can compete with the S1-->T1 intersystem crossing process. The present study predicts that the C-H bond cleavage on the S1 surface is probably a new photolysis pathway at high excitation energy, which has not been observed experimentally. In addition, the trans-cis isomerization is predicted to occur more easily in the ground state than in the excited states.
Evidence for DCO+ as a probe of ionization in the warm disk surface
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.
Huang, Dejuan; Luo, Liping; Jiang, Cuicui; Han, Jing; Wang, Jiang; Zhang, Tingting; Jiang, Jie; Zhou, Zhiquan; Chen, Huanwen
2011-03-23
Plant research and natural product detection are of sustainable interests. Benefited by direct detection with no sample preparation, sinapine, a bioactive chemical usually found in various seeds of Brassica plants, has been unambiguously detected in radish taproot (Raphanus sativus) tissue using a liquid-assisted surface desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS). A methanol aqueous solution (1:1) was nebulized by a nitrogen sheath gas toward the corona discharge, resulting in charged ambient small droplets, which affected the radish tissue for desorption/ionization of analytes on the tissue surface. Thus, sinapine was directly detected and identified by tandem DAPCI-MS experiments without sample pretreatment. The typical relative standard deviation (RSD) of this method for sinapine detection was 5-8% for six measurements (S/N=3). The dynamic response range was 10(-12)-10(-7) g/cm2 for sinapine on the radish skin surface. The discovery of sinapine in radish taproot was validated by using HPLC-UV methods. The data demonstrated that DAPCI assisted by solvent enhanced the overall efficiency of the desorption/ionization process, enabling sensitive detection of bioactive compounds in plant tissue.
Applications of Adiabatic Approximation to One- and Two-electron Phenomena in Strong Laser Fields
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...
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.
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.)
Quantum adiabatic machine learning
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.
Oreshkov, Ognyan; Calsamiglia, John
2010-07-30
We propose a theory of adiabaticity in quantum markovian dynamics based on a 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 Hilbert-space level, linking the notion of adiabaticity to the theory of noiseless subsystems. As two applications of our theory, we propose a general framework for decoherence-assisted computation in noiseless codes and a dissipation-driven approach to holonomic computation based on adiabatic dragging of subsystems that is generally not achievable by nondissipative means.
Ionized dopant concentrations at the heavily doped surface of a silicon solar cell
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.
Lobe, Elisabeth; Stollenwerk, Tobias; Tröltzsch, Anke
2015-01-01
In the recent years, the field of adiabatic quantum computing has gained importance due to the advances in the realisation of such machines, especially by the company D-Wave Systems. These machines are suited to solve discrete optimisation problems which are typically very hard to solve on a classical computer. Due to the quantum nature of the device it is assumed that there is a substantial speedup compared to classical HPC facilities. We explain the basic principles of adiabatic ...
Nedeljkovic, N. N.; Božnic, D. K.; Dojcilovic, R. J.; Pajovic, J. D.
2010-07-01
The self-consistent procedure for the analysis of the ionization dynamics of slow hydrogenlike Rydberg atoms approaching solid surface in a weak electric field has been developed. The complex energy eigenvalue problem is solved in the critical region of the ion-surface distances R using an etalon equation method. The problem of motion of a representative member of the atomic beam is resolved by including the R-dependent expression for the perpendicular velocity into the expression for the ionization probability iteratively. The results of the procedure were employed to calculate the averaged ionization probabilities which were compared to the available experimental results.
Ionization of Rydberg H atoms at band-gap metal surfaces via surface and image states
So, E; Softley, T P
2015-01-01
Wavepacket propagation calculations are reported for the interaction of a Rydberg hydrogen atom ($n=2-8)$ with Cu(111) and Cu(100) surfaces (represented by a Chulkov potential), in comparison with a Jellium surface. Both copper surfaces have a projected band gap at the surface in the energy range degenerate with some or all of the Rydberg energies. The charge transfer of the Rydberg electron to the surface is found to be enhanced for $n$ values at which there is a near-degeneracy between the Rydberg energy level and an image state or a surface state of the surface. The enhancement is facilitated by the strong overlap of the surface image-state orbital lying outside the surface and the orbital of the incoming Rydberg atom. These calculations point to the possibility of using Rydberg-surface collisions as a probe of surface electronic structure.
Adiabatic quantum computation along quasienergies
Tanaka, Atushi
2009-01-01
The parametric deformations of quasienergies and eigenvectors of unitary operators are applied to the design of quantum adiabatic algorithms. The conventional, standard adiabatic quantum computation proceeds along eigenenergies of parameter-dependent Hamiltonians. By contrast, discrete adiabatic computation utilizes adiabatic passage along the quasienergies of parameter-dependent unitary operators. For example, such computation can be realized by a concatenation of parameterized quantum circuits, with an adiabatic though inevitably discrete change of the parameter. A design principle of adiabatic passage along quasienergy is recently proposed: Cheon's quasienergy and eigenspace anholonomies on unitary operators is available to realize anholonomic adiabatic algorithms [Tanaka and Miyamoto, Phys. Rev. Lett. 98, 160407 (2007)], which compose a nontrivial family of discrete adiabatic algorithms. It is straightforward to port a standard adiabatic algorithm to an anholonomic adiabatic one, except an introduction of...
Chen, Huanwen; Liang, Huazheng; Ding, Jianhua; Lai, Jinhu; Huan, Yanfu; Qiao, Xiaolin
2007-12-12
Protonated water molecules generated by an ambient corona discharge were directed to impact tea leaves for desorption/ionization at atmospheric pressure. Thus, a novel method based on surface desorption chemical ionization mass spectrometry (DAPCI-MS) has been developed for rapid analysis of tea products without any sample pretreatment. Under the optimized experimental conditions, DAPCI MS spectra of various tea samples are recorded rapidly, and the resulting mass spectra are chemical fingerprints that characterize the tea samples. On the basis of the mass spectral fingerprints, 40 tea samples including green tea, oolong tea, and jasmine tea were successfully differentiated by principal component analysis (PCA) of the mass spectral raw data. The PCA results were also validated with cluster analysis and supervised PCA analysis. The alteration of signal intensity caused by rough surfaces of tea leaves did not cause failure in the separation of the tea products. The experimental findings show that DAPCI-MS creates ions of both volatile and nonvolatile compounds in tea products at atmospheric pressure, providing a practical and convenient tool for high-throughput differentiation of tea products.
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.
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.
Theory of Adiabatic Fountain Resonance
Williams, Gary A.
2017-01-01
The theory of "Adiabatic Fountain Resonance" with superfluid ^4{He} is clarified. In this geometry a film region between two silicon wafers bonded at their outer edge opens up to a central region with a free surface. We find that the resonance in this system is not a Helmholtz resonance as claimed by Gasparini et al., but in fact is a fourth sound resonance. We postulate that it occurs at relatively low frequency because the thin silicon wafers flex appreciably from the pressure oscillations of the sound wave.
Berg, Nora G; Nolan, Michael W; Paskova, Tania; Ivanisevic, Albena
2014-12-30
An aqueous surface modification of gallium nitride was employed to attach biomolecules to the surface. The modification was a simple two-step process using a single linker molecule and mild temperatures. The presence of the peptide on the surface was confirmed with X-ray photoelectron spectroscopy. Subsequently, the samples were placed in water baths and exposed to ionizing radiation to examine the effects of the radiation on the material in an environment similar to the body. Surface analysis confirmed degradation of the surface of GaN after radiation exposure in water; however, the peptide molecules successfully remained on the surface following exposure to ionizing radiation. We hypothesize that during radiation exposure of the samples, the radiolysis of water produces peroxide and other reactive species on the sample surface. Peroxide exposure promotes the formation of a more stable layer of gallium oxyhydroxide which passivates the surface better than other oxide species.
Wu, Ching-Yi; Lee, Kai-Chieh; Kuo, Yen-Ling; Chen, Yu-Chie
2016-10-28
Surface-assisted laser desorption/ionization (SALDI) coupled with mass spectrometry (MS) is frequently used to analyse small organics owing to its clean background. Inorganic materials can be used as energy absorbers and the transfer medium to facilitate the desorption/ionization of analytes; thus, they are used as SALDI-assisting materials. Many studies have demonstrated the usefulness of SALDI-MS in quantitative analysis of small organics. However, some characteristics occurring in SALDI-MS require certain attention to ensure the reliability of the quantitative analysis results. The appearance of a coffee-ring effect in SALDI sample preparation is the primary factor that can affect quantitative SALDI-MS analysis results. However, to the best of our knowledge, there are no reports relating to quantitative SALDI-MS analysis that discuss or consider this effect. In this study, the coffee-ring effect is discussed using nanoparticles and nanostructured substrates as SALDI-assisting materials to show how this effect influences SALDI-MS analysis results. Potential solutions for overcoming the existing problems are also suggested.This article is part of the themed issue 'Quantitative mass spectrometry'.
Chen, Huanwen; Zheng, Jian; Zhang, Xie; Luo, Mingbiao; Wang, Zhichang; Qiao, Xiaolin
2007-08-01
Ambient mass spectrometry, pioneered with desorption electrospray ionization (DESI) technique, is of increasing interest in recent years. In this study, a corona discharge ionization source is adapted for direct surface desorption chemical ionization of compounds on various surfaces at atmospheric pressure. Ambient air, with about 60% relative humidity, is used as a reagent to generate primary ions such as H(3)O(+), which is then directed to impact the sample surface for desorption and ionization. Under experimental conditions, protonated or deprotonated molecules of analytes present on various samples are observed using positive or negative corona discharge. Fast detection of trace amounts of analytes present in pharmaceutical preparations, viz foods, skins and clothes has been demonstrated without any sample pretreatment. Taking the advantage of the gasless setup, powder samples such as amino acids and mixtures of pharmaceutical preparations are rapidly analyzed. Impurities such as sudan dyes in tomato sauce are detected semiquantitatively. Molecular markers (e.g. putrescine) for meat spoilage are successfully identified from an artificially spoiled fish sample. Chemical warfare agent stimulants, explosives and herbicides are directly detected from the skin samples and clothing exposed to these compounds. This provides a detection limit of sub-pg (S/N > or = 3) range in MS2. Metabolites and consumed chemicals such as glucose are detected successfully from human skins. Conclusively, surface desorption atmospheric pressure chemical ionization (DAPCI) mass spectrometry, without toxic chemical contamination, detects various compounds in complex matrices, showing promising applications for analyses of human related samples.
Cristoni, Simone; Bernardi, Luigi Rossi; Gerthoux, Piermario; Gonella, Elisabetta; Mocarelli, Paolo
2004-01-01
A new ionization method, named surface-activated chemical ionization (SACI), was employed for the analysis of five amphetamines (3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxymethamphetamine (MDMA), 3,4-methylenedioxyethylamphetamine (MDE), amphetamine and methamphetamine) by ion trap mass spectrometry. The results so obtained have been compared with those achieved by using atmospheric pressure chemical ionization (APCI) and electrospray ionization (ESI) using the same instrument, clearly showing that SACI is the most sensitive of the three. The limit of detection and linearity range for SACI were compared with those obtained using APCI and ESI, showing that the new SACI approach provides the best results for both criteria. SACI was used to analyze MDA, MDMA MDE, amphetamine and methamphetamine in four urine samples, and the quantitation results are compared with those achieved using ESI.
Assessment of total efficiency in adiabatic engines
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.
Huang, Xue-yong; Guo, Xia-li; Luo, Huo-lin; Fang, Xiao-wei; Zhu, Teng-gao; Zhang, Xing-lei; Chen, Huan-wen; Luo, Li-ping
2015-01-01
Mass spectral fingerprints of 24 raw propolis samples, including 23 from China and one from the United States, were directly obtained using surface desorption atmospheric pressure chemical ionization mass spectrometry (SDAPCI-MS) without sample pretreatment. Under the optimized experimental conditions, the most abundant signals were detected in the mass ranges of 70 to 500 m/z and 200 to 350 m/z, respectively. Principal component analyses (PCA) for the two mass ranges showed similarities in that the colors had a significant correlation with the first two PCs; in contrast there was no correlation with the climatic zones from which the samples originated. Analytes such as chrysin, pinocembrin, and quercetin were detected and identified using multiple stage mass spectrometry within 3 min. Therefore, SDAPCI-MS can be used for rapid and reliable high-throughput analysis of propolis. PMID:26339245
Biamonte, J D; Whitfield, J D; Fitzsimons, J; Aspuru-Guzik, A
2010-01-01
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 error resistant, easily controllable, and built using existing technology. Moving away from gate-model and projective measurement based implementations of quantum computing may offer a less resource-intensive, and consequently a more feasible solution. Here we consider an adiabatic quantum simulator which simulates the ground state properties of sparse Hamiltonians consisting of one- and two-body interaction terms, using sparse Hamiltonians with at most three-body 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...
Semiconductor adiabatic qubits
Energy Technology Data Exchange (ETDEWEB)
Carroll, Malcolm S.; Witzel, Wayne; Jacobson, Noah Tobias; Ganti, Anand; Landahl, Andrew J.; Lilly, Michael; Nguyen, Khoi Thi; Bishop, Nathaniel; Carr, Stephen M.; Bussmann, Ezra; Nielsen, Erik; Levy, James Ewers; Blume-Kohout, Robin J.; Rahman, Rajib
2016-12-27
A quantum computing device that includes a plurality of semiconductor adiabatic qubits is described herein. The qubits are programmed with local biases and coupling terms between qubits that represent a problem of interest. The qubits are initialized by way of a tuneable parameter, a local tunnel coupling within each qubit, such that the qubits remain in a ground energy state, and that initial state is represented by the qubits being in a superposition of |0> and |1> states. The parameter is altered over time adiabatically or such that relaxation mechanisms maintain a large fraction of ground state occupation through decreasing the tunnel coupling barrier within each qubit with the appropriate schedule. The final state when tunnel coupling is effectively zero represents the solution state to the problem represented in the |0> and |1> basis, which can be accurately read at each qubit location.
Lorenz, Matthias; Ovchinnikova, Olga S; Kertesz, Vilmos; Van Berkel, Gary J
2014-03-18
This paper reports on the advancement of a controlled-resonant 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 μm 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.
Energy Technology Data Exchange (ETDEWEB)
Ford, Michael J [ORNL; Deibel, Michael A. [Earlham College; Tomkins, Bruce A [ORNL; Van Berkel, Gary J [ORNL
2005-01-01
Quantitative determination of caffeine on reversed-phase C8 thin-layer chromatography plates using a surface sampling electrospray ionization system with tandem mass spectrometry detection is reported. The thin-layer chromatography/electrospray tandem mass spectrometry method employed a deuterium-labeled caffeine internal standard and selected reaction monitoring detection. Up to nine parallel caffeine bands on a single plate were sampled in a single surface scanning experiment requiring 35 min at a surface scan rate of 44 {mu}m/s. A reversed-phase HPLC/UV caffeine assay was developed in parallel to assess the mass spectrometry method performance. Limits of detection for the HPLC/UV and thin-layer chromatography/electrospray tandem mass spectrometry methods determined from the calibration curve statistics were 0.20 ng injected (0.50 {mu}L) and 1.0 ng spotted on the plate, respectively. Spike recoveries with standards and real samples ranged between 97 and 106% for both methods. The caffeine content of three diet soft drinks (Diet Coke, Diet Cherry Coke, Diet Pepsi) and three diet sport drinks (Diet Turbo Tea, Speed Stack Grape, Speed Stack Fruit Punch) was measured. The HPLC/UV and mass spectrometry determinations were in general agreement, and these values were consistent with the quoted values for two of the three diet colas. In the case of Diet Cherry Coke and the diet sports drinks, the determined caffeine amounts using both methods were consistently higher (by 8% or more) than the literature values.
Energy Technology Data Exchange (ETDEWEB)
Ovchinnikova, Olga S [ORNL; Kertesz, Vilmos [ORNL; Van Berkel, Gary J [ORNL
2011-01-01
This paper describes the coupling of ambient pressure transmission geometry laser ablation with a liquid phase sample collection method for surface sampling and ionization with subsequent mass spectral analysis. A commercially available autosampler was adapted to produce a liquid droplet at the end of the syringe injection needle while in close proximity to the surface to collect the sample plume produced by laser ablation. The sample collection was followed by either flow injection or a high performance liquid chromatography (HPLC) separation of the extracted components and detection with electrospray ionization mass spectrometry (ESI-MS). To illustrate the analytical utility of this coupling, thin films of a commercial ink sample containing rhodamine 6G and of mixed isobaric rhodamine B and 6G dyes on glass microscope slides were analyzed. The flow injection and HPLC/ESI-MS analysis revealed successful laser ablation, capture and, with HPLC, the separation of the two compounds. The ablated circular area was about 70 m in diameter for these experiments. The spatial sampling resolution afforded by the laser ablation, as well as the ability to use sample processing methods like HPLC between the sample collection and ionization steps, makes this combined surface sampling/ionization technique a highly versatile analytical tool.
Nonresonance adiabatic photon trap
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.
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.
Adiabatic paths and pseudoholomorphic curves
Institute of Scientific and Technical Information of China (English)
Armen; G.; Sergeev
2005-01-01
We consider the (2+1)-dimensional Abelian Higgs model, governed by the Ginzburg-Landau action functional and describe the adiabatic limit construction for this model. Then we switch to the 4-dimensional case and Show that the Taubes correspondence may be considered as a (2+2)-dimensional analogue of the adiabatic limit construction.
Geometry of the Adiabatic Theorem
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.…
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.
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.
Pinski, Sebastian D
2011-01-01
Adiabatic Quantum Computing (AQC) is a relatively new subject in the world of quantum computing, let alone Physics. Inspiration for this project has come from recent controversy around D-Wave Systems in British Columbia, Canada, who claim to have built a working AQC which is now commercially available and hope to be distributing a 1024 qubit chip by the end of 2008. Their 16 qubit chip was demonstrated online for the Supercomputing 2007 conference within which a few small problems were solved; although the explanations that journalists and critics received were minimal and very little was divulged in the question and answer session. This 'unconvincing' demonstration has caused physicists and computer scientists to hit back at D-Wave. The aim of this project is to give an introduction to the historic advances in classical and quantum computing and to explore the methods of AQC. Through numerical simulations an algorithm for the Max Independent Set problem is empirically obtained.
Božnic, D. K.; Nedeljkovic, N. N.
2010-07-01
We analyze the ionization dynamics of slow hydrogenlike Rydberg atoms (principal quantum number n >> 1 ) approaching solid surface in a weak electric field. The recently obtained etalon-equation method results for the simulation of experimental signal are used to investigate the influence of the initial velocity distribution. It is demonstrated that an agreement with the experimental signal can be obtained with the broadened velocity distributions.
Nanowire Plasmon Excitation by Adiabatic Mode Transformation
Verhagen, Ewold; Spasenović, Marko; Polman, Albert; Kuipers, L. (Kobus)
2009-05-01
We show with both experiment and calculation that highly confined surface plasmon polaritons can be efficiently excited on metallic nanowires through the process of mode transformation. One specific mode in a metallic waveguide is identified that adiabatically transforms to the confined nanowire mode as the waveguide width is reduced. Phase- and polarization-sensitive near-field investigation reveals the characteristic antisymmetric polarization nature of the mode and explains the coupling mechanism.
Field emission mechanism from nanotubes through gas ionization induced nanoscale surface charging
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.
A Photo-ionization VOCs Sensor Developed the Resistance to Contamination of Electrode Surface
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.
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…
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.
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.
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%.
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.
Choi, Yong Seok; Wood, Troy D
2008-04-01
During the course of nanoelectrospray ionization (nanoESI) of substance P, an unusual type of signal reduction was observed with flow rates silanized. Emitters treated with hexamethyldisilazane or 3-aminopropyltriethoxysilane showed higher analyte signals for substance P than untreated emitters, suggesting a reduction of analyte adsorption onto the inner walls of silanized emitters. The efficacy of reduced peptide adsorption was demonstrated for emitters silanized with 3-aminopropyltriethoxysilane using a simple peptide mixture as well as a more complex peptide mixture (a tryptic digest of horse hemoglobin).
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
were run for a constant emission to the atmospheric boundary layer to identify key model inputs. The degradation rate, the duration of dry and wet periods and the parameters describing air-water bulk partitioning (KAW and T) and ionization (pKa and pH) determine the residence time in the ABL....... The longer residence time predicted for some compounds in the LMT is due to the capacity of clouds to sorb non-volatile molecules in the liquid water and at the interface of cloud droplets. The efficiency of wet deposition to remove low volatile organic pollutants from the atmosphere is limited primarily...
Non-adiabatic primordial fluctuations
Energy Technology Data Exchange (ETDEWEB)
Noller, Johannes; Magueijo, Joao, E-mail: johannes.noller08@imperial.ac.uk [Theoretical Physics Group, Imperial College, London SW7 2BZ (United Kingdom)
2011-05-21
We consider general mixtures of isocurvature and adiabatic cosmological perturbations. With a minimal assumption set consisting of the linearized Einstein equations and a primordial perfect fluid we derive the second-order action and its curvature variables. We also allow for varying equation of state and speed of sound profiles. The derivation is therefore carried out at the same level of generality that has been achieved for adiabatic modes before. As a result we find a new conserved super-horizon quantity and relate it to the adiabatically conserved curvature perturbation. Finally we demonstrate how the formalism can be applied by considering a Chaplygin gas-like primordial matter model, finding two scale-invariant solutions for structure formation.
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)
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
Analysis of Adiabatic Batch Reactor
Directory of Open Access Journals (Sweden)
Erald Gjonaj
2016-05-01
Full Text Available A mixture of acetic anhydride is reacted with excess water in an adiabatic batch reactor to form an exothermic reaction. The concentration of acetic anhydride and the temperature inside the adiabatic batch reactor are calculated with an initial temperature of 20°C, an initial temperature of 30°C, and with a cooling jacket maintaining the temperature at a constant of 20°C. The graphs of the three different scenarios show that the highest temperatures will cause the reaction to occur faster.
Energy Technology Data Exchange (ETDEWEB)
Valentine, Nancy B.(BATTELLE (PACIFIC NW LAB)); Wahl, Jon H.(BATTELLE (PACIFIC NW LAB)); Kingsley, Mark T.(BATTELLE (PACIFIC NW LAB)); Wahl, Karen L.(BATTELLE (PACIFIC NW LAB))
2001-12-01
Intact spores and/or hyphae of Aspergillus niger, Rhizopus oryzae, Trichoderma reesei and Phanerochaete chrysosporium are analyzed by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS). This study investigates various methods of sample preparation and matrices to determine optimum collection and analysis criteria for fungal analysis by MALDI-MS. Fungi are applied to the MALDI sample target as untreated, sonicated, acid/heat treated, or blotted directly from the fungal culture with double-stick tape. Ferulic acid or sinapinic acid matrix solution is layered over the dried samples and analyzed by MALDI-MS. Statistical analysis of the data show that simply using double stick tape to collect and transfer to a MALDI sample plate typically worked as well as the other preparation methods, but requires the least sample handling.
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.
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.
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.
A Many Particle Adiabatic Invariant
DEFF Research Database (Denmark)
Hjorth, Poul G.
1999-01-01
For a system of N charged particles moving in a homogeneous, sufficiently strong magnetic field, a many-particle adiabatic invariant constrains the collisional exchange of energy between the degrees of freedom perpendicular to and parallel to the magnetic field. A description of the phenomenon...
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...
Digital Waveguide Adiabatic Passage Part 1: Theory
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.
Lin, Sheng-Yu; Chen, Pin-Shiuan; Chang, Sarah Y.
2015-03-01
A simple, rapid, and sensitive method for the detection of posaconazole using dispersive liquid-liquid microextraction (DLLME) coupled to surface-assisted laser desorption/ionization mass spectrometric detection (SALDI/MS) was developed. After the DLLME, posaconazole was detected using SALDI/MS with colloidal gold and α-cyano-4-hydroxycinnamic acid (CHCA) as the co-matrix. Under optimal extraction and detection conditions, the calibration curve, which ranged from 1.0 to 100.0 nM for posaconazole, was observed to be linear. The limit of detection (LOD) at a signal-to-noise ratio of 3 was 0.3 nM for posaconazole. This novel method was successfully applied to the determination of posaconazole in human urine samples.
Deng, Jiewei; Yu, Tiantian; Yao, Yao; Peng, Qi; Luo, Lijuan; Chen, Baowei; Wang, Xiaowei; Yang, Yunyun; Luan, Tiangang
2017-02-15
In this study, a surface-coated wooden-tip electrospray ionization mass spectrometry (SCWT-ESI-MS) method was developed for rapid and sensitive analysis of trace fluoroquinolone and macrolide antibiotics in water. First, a SCWT solid-phase microextration (SPME) probe was prepared, via silanization and sulfonation for modification of a layer of adsorbent containing both C8-chain and sulfo group on the surface of wooden tips. Then, the SCWT-SPME probe was applied for extraction of trace fluoroquinolone and macrolide antibiotics in water. The specially designed adsorbent gave the probe desirable enrichment capacity towards fluoroquinolone and macrolide antibiotics, with enrichment factors of approximately 100-500 folds for six target analytes. After extraction, the loaded SCWT-SPME probe was directly applied for ambient MS analysis. With the application of a high voltage and some spray solvent on the SCWT-SPME probe, analytes enriched on the probe was desorbed and ionized for mass spectrometric analysis under ambient and open-air conditions. The method was sensitive, with limits of detection and quantification of 1.8-4.5 ng/L and 5.9-15.1 ng/L, respectively. The method also showed good linearity, with correlation coefficient values (r(2)) of no less than 0.9940 for six target analytes. The developed method was successfully applied for the analysis of six fluoroquinolone and macrolide antibiotics in tap and river water samples, and no antibiotic was found in tap water but some antibiotics were detected in river water with concentrations at dozens to hundreds nanogram-per-liter level. Standard addition experiments were also performed, and the obtained recoveries were 89-102% for tap waters and 82-92% for river waters, respectively. All the experimental results demonstrated that our proposed SCWT-ESI-MS method was rapid, sensitive, and reliable for analyzing trace antibiotics in water.
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.
Energy Technology Data Exchange (ETDEWEB)
Michelin, S.; Gallegos, C.E.; Dubner, D. [Radiopathology Laboratory, Nuclear Regulatory Authority, Buenos Aires (Argentina); Favier, B.; Carosella, E.D. [CEA, I2BM, Hopital Saint-Louis, IUH, Service de Recherches en Hemato-Immunologie, Paris (France)
2009-07-01
Human leukocyte antigen G (HLA-G) is a nonclassical HLA class I molecule involved in fetus protection from the maternal immune system, transplant tolerance, and viral and tumoral immune escape. Tumor-specific HLA-G expression has been described for a wide variety of malignancies, including melanomas. The aim of this study was to evaluate whether ionizing radiation (IR) could modulate the surface expression of HLA-G1 in a human melanoma cell line that expresses endogenously membrane-bound HLA-G1. For this purpose, cells were exposed to increasing doses of {gamma}-irradiation (0-20 Gy) and HLA-G1 levels at the plasma membrane were analyzed at different times postirradiation by flow cytometry. HLA-G total expression and the presence of the soluble form of HLA-G1 (sHLA-G1) in the culture medium of irradiated cells were also evaluated. IR was capable of down regulating cell surface and total HLA-G levels, with a concomitant increase of sHLA-G1 in the medium. These results could indicate that {gamma}-irradiation decreases HLA-G1 surface levels by enhancing the proteolytic cleavage of this molecule. (authors)
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.
Brown, Victoria L; Liu, Qiang; He, Lin
2015-01-01
Surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS), a parallel technique to matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS), utilizes inorganic particles or porous surfaces to aid in the desorption/ionization of low-molecular-weight (MW) analytes. As a matrix-free and "soft" LDI approach, SALDI offers the benefit of reduced background noise in the low MW range, allowing for easier detection of biologically significant small MW species. Despite the inherent advantages of SALDI-MS, it has not reached comparable sensitivity levels to MALDI-MS. In relation to mass spectrometry imaging (MSI), intense efforts have been made in order to improve sensitivity and versatility of SALDI-MSI. We describe herein a detailed protocol that utilizes a hybrid LDI method, matrix-enhanced SALDI-MS (ME-SALDI MS), to detect and image low MW species in an imaging mode.
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.
Mai, Sebastian; Marquetand, Philipp; González, Leticia
2014-05-28
The importance of triplet states in the photorelaxation dynamics of SO2 is studied by mixed quantum-classical dynamics simulations. Using the SHARC method, standing for Surface Hopping including ARbitrary Couplings, intersystem crossing (ISC) processes caused by spin-orbit coupling are found occurring on an ultrafast time scale (few 100 fs) and thus competing with internal conversion. While in the singlet-only dynamics only oscillatory population transfer between the (1)B1 and (1)A2 states is observed, in the dynamics including singlet and triplet states we find additionally continuous ISC to the (3)B2 state and to a smaller extent to the (3)B1/(3)A2 coupled states. The populations obtained from the dynamics are discussed with respect to the overall nuclear motion and in the light of recent TRPEPICO studies [I. Wilkinson, A. E. Boguslavskiy, J. Mikosch, D. M. Villeneuve, H.-J. Wörner, M. Spanner, S. Patchkovskii, and A. Stolow, "Excited state dynamics in SO2. I. Bound state relaxation studied by time-resolved photoelectron-photoion coincidence spectroscopy," J. Chem. Phys. 140, 204301 (2014)].
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
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
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.
Nitta, Syuhei; Yamamoto, Atsushi; Kurita, Masahiro; Arakawa, Ryuichi; Kawasaki, Hideya
2014-06-11
In this report, we demonstrate gold-decorated titania nanotube arrays (Au-TNA substrate) as a dual-functional platform for surface-enhanced Raman spectroscopy (SERS) and surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS). The Au nanoparticles are grown on the substrate using vapor deposition of Au. The resulting substrates perform better than Au colloids in terms of the reproducibility of the SERS measurements, long-term stability of the fabricated structures, and clean surface of the Au. The nanostructure of the Au-TNA substrate was designed to optimize the SALDI-MS and SERS performance. Excellent reproducibility of the SERS measurements using the Au-TNA substrate was obtained, with a standard error less than 6 %. SALDI activity was also demonstrated for the same Au-TNA substrates. Finally, the Au-TNA substrate was used for combined SERS and SALDI-MS analysis (i) to discriminate the structural isomers of pyridine compounds (para-, meta-, and ortho-pyridinecarboxylic acid) and (ii) to detect polycarbamate, a dithiocarbamate fungicide. These results are difficult to obtain using either approach alone.
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.
Adiabatic Wankel type rotary engine
Kamo, R.; Badgley, P.; Doup, D.
1988-01-01
This SBIR Phase program accomplished the objective of advancing the technology of the Wankel type rotary engine for aircraft applications through the use of adiabatic engine technology. Based on the results of this program, technology is in place to provide a rotor and side and intermediate housings with thermal barrier coatings. A detailed cycle analysis of the NASA 1007R Direct Injection Stratified Charge (DISC) rotary engine was performed which concluded that applying thermal barrier coatings to the rotor should be successful and that it was unlikely that the rotor housing could be successfully run with thermal barrier coatings as the thermal stresses were extensive.
Some characteristics of the atmosphere during an adiabatic process
Institute of Scientific and Technical Information of China (English)
GAO Li; LI Jianping; REN Hongli
2006-01-01
Some important characteristics of the atmosphere during an adiabatic process are investigated, which include the invariability of atmospheric entropy range and local surface potential temperature, the conservation of the atmospheric mass intervened between any isentropic surface and the ground, and the isentropic surface intersecting with the ground. The analysis shows that the atmospheric reference state (ARS) for investigation on available potential energy (APE) should be defined objectively as the state which could be approached from the existing atmosphere by adiabatic adjustment, and be related to initial atmospheric state before adjustment. For the initial atmosphere state at any time, its corresponding ARS is different from the one at another time. Based on the above-mentioned conclusions,the reference state proposed by Lorenz cannot be obtained physically, so a new conception, the conditional minimum total potential energy, is put forward in order to objectively investigate atmospheric APE.
Pilling, Sergio; Alexandre Souza Bergantini, M.
Europa is the sixth-closest moon of the planet Jupiter, and the smallest of the four Galilean satellites, but still the sixth-largest moon in the Solar System being only slightly smaller than Earth's Moon. Its cold surface is covered mainly by water ice and a small fraction of other molecular frozen species such as CO _{2}, NH _{3}, and SO _{2}. Since Europa has only a very thin O _{2} rich atmosphere, the surface is constantly exposed to space ionizing agents such as UV and soft X-rays photons, electrons and ions. In this work we investigate the effects produced by vacuum ultraviolet (VUV) and soft X-rays (and possibly secondary electrons) on the surface of Europa Moon, simulating this way the space weathering and the prebiotic photochemistry induced by solar photons on this moon. The experiments have been performed using a high vacuum portable chamber from the Laboratorio de Astroquimica e Astrobiologia (LASA/UNIVAP) coupled to the spherical grating monochromator (SGM) beamline in the Brazilian Synchrotron Light Source (LNLS) at Campinas, Brazil. The beamline was operated in off-focus and white beam mode, which produces a wide band spectral range of photons, mainly from 6 eV up to 1200 eV, with the total average flux at the sample of about 1x10 (14) photons cm (-2) s (-1) . The experiments simulate roughly 10.7 years of solar irradiation (energy delivered) on the Europa surface. In-situ sample analyses were performed by a Fourier transform infrared spectrometer. The samples were produced by the adsorption of a gaseous mixture containing H _{2}O:CO _{2}:NH _{3}:SO _{2} (10:1:1:1) at very low temperature (12 K) and than were slowly heated (2 K/min) to the temperatures in which the irradiation occur, i.e. at 90K and 50K, simulating this way the equatorial and polar regions of the moon. This scenario simulates the cold molecular delivery from comets in the early phases of this Jupiter’s moon. The infrared spectra of irradiated samples have presented the formation
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
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.
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.
(Hybrid) Baryons Quantum Numbers and Adiabatic Potentials
Page, P R
1999-01-01
We construct (hybrid) baryons in the flux-tube model of Isgur and Paton. In the limit of adiabatic quark motion, we build proper eigenstates of orbital angular momentum and indicate the flavour, spin, chirality and J^P of (hybrid) baryons. The adiabatic potential is calculated as a function of the quark positions.
Adiabatic Tip-Plasmon Focusing for Nano-Raman Spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Berweger, Samuel; Atkin, Joanna M.; Olmon, Robert L.; Raschke, Markus Bernd
2010-12-16
True nanoscale optical spectroscopy requires the efficient delivery of light for a spatially nanoconfined excitation. We utilize adiabatic plasmon focusing to concentrate an optical field into the apex of a scanning probe tip of {approx}10 nm in radius. The conical tips with the ability for two-stage optical mode matching of the surface plasmon polariton (SPP) grating-coupling and the adiabatic propagating SPP conversion into a localized SPP at the tip apex represent a special optical antenna concept for far-field transduction into nanoscale excitation. The resulting high nanofocusing efficiency and the spatial separation of the plasmonic grating coupling element on the tip shaft from the near-field apex probe region allows for true background-free nanospectroscopy. As an application, we demonstrate tip-enhanced Raman spectroscopy (TERS) of surface molecules with enhanced contrast and its extension into the near-IR with 800 nm excitation.
Quantum Computation by Adiabatic Evolution
Farhi, E; Gutmann, S; Sipser, M; Farhi, Edward; Goldstone, Jeffrey; Gutmann, Sam; Sipser, Michael
2000-01-01
We give a quantum algorithm for solving instances of the satisfiability problem, based on adiabatic evolution. The evolution of the quantum state is governed by a time-dependent Hamiltonian that interpolates between an initial Hamiltonian, whose ground state is easy to construct, and a final Hamiltonian, whose ground state encodes the satisfying assignment. To ensure that the system evolves to the desired final ground state, the evolution time must be big enough. The time required depends on the minimum energy difference between the two lowest states of the interpolating Hamiltonian. We are unable to estimate this gap in general. We give some special symmetric cases of the satisfiability problem where the symmetry allows us to estimate the gap and we show that, in these cases, our algorithm runs in polynomial time.
On a Nonlinear Model in Adiabatic Evolutions
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
MHD power generation with fully ionized seed
Energy Technology Data Exchange (ETDEWEB)
Yamasaki, H.; Shioda, S.
1977-01-01
Recovery of power density in the regime of fully ionized seed has been demonstrated experimentally using an MHD disk generator with the effective Hall parameter up to 5.0 when the seed was fully ionized. The experiments were conducted with a shock-heated and potassium-seeded argon plasma under the following conditions: stagnation gas pressure = 0.92 atm, stagnation gas temperature = 2750 K, flow Mach number = 2.5, and seed fraction = 1.4 x 10/sup -5/. Measurements of electron-number density and spectroscopic observations of both potassium and argon lines confirmed that the recovery of power output was due to the reduction of ionization instability. This fact indicates that the successful operation of a disk generator utilizing nonequilibrium ionization seems to be possible and that the suppression of ionization instability can also provide higher adiabatic efficiency. Furthermore, the lower seed fraction offers technological advantages related to seed problems.
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.
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.
Adiabatic theorems for generators of contracting evolutions
Avron, J E; Graf, G M; Grech, P
2011-01-01
We develop an adiabatic theory for generators of contracting evolution on Banach spaces. This provides a uniform framework for a host of adiabatic theorems ranging from unitary quantum evolutions through quantum evolutions of open systems generated by Lindbladians all the way to classically driven stochastic systems. In all these cases the adiabatic evolution approximates, to lowest order, the natural notion of parallel transport in the manifold of instantaneous stationary states. The dynamics in the manifold of instantaneous stationary states and transversal to it have distinct characteristics: The former is irreversible and the latter is transient in a sense that we explain. Both the gapped and gapless cases are considered. Some applications are discussed.
Digital Waveguide Adiabatic Passage Part 2: Experiment
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.
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.
Adiabatic Quantum Search in Open Systems.
Wild, Dominik S; Gopalakrishnan, Sarang; Knap, Michael; Yao, Norman Y; Lukin, Mikhail D
2016-10-07
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.
Adiabatic hydrodynamics: The eightfold way to dissipation
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...
Adiabatic quantum gates and Boolean functions
Energy Technology Data Exchange (ETDEWEB)
Andrecut, M; Ali, M K [Department of Physics, University of Lethbridge, Lethbridge, AB, T1K 3M4 (Canada)
2004-06-25
We discuss the logical implementation of quantum gates and Boolean functions in the framework of quantum adiabatic method, which uses the language of ground states, spectral gaps and Hamiltonians instead of the standard unitary transformation language. (letter to the editor)
Adiabatic Quantum Search in Open Systems
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.
Adiabatic Heavy Ion Fusion Potentials for Fusion at Deep Sub-barrier Energies
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...
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.
Faster computation of adiabatic EMRIs using resonances
Grossman, Rebecca; Perez-Giz, Gabe
2011-01-01
Motivated by the prohibitive computational cost of producing adiabatic extreme mass ratio inspirals, we explain how a judicious use of resonant orbits can dramatically expedite both that calculation and the generation of snapshot gravitational waves from geodesic sources. In the course of our argument, we clarify the resolution of a lingering debate on the appropriate adiabatic averaging prescription in favor of torus averaging over time averaging.
Quantum Adiabatic Evolution Algorithms versus Simulated Annealing
Farhi, E; Gutmann, S; Farhi, Edward; Goldstone, Jeffrey; Gutmann, Sam
2002-01-01
We explain why quantum adiabatic evolution and simulated annealing perform similarly in certain examples of searching for the minimum of a cost function of n bits. In these examples each bit is treated symmetrically so the cost function depends only on the Hamming weight of the n bits. We also give two examples, closely related to these, where the similarity breaks down in that the quantum adiabatic algorithm succeeds in polynomial time whereas simulated annealing requires exponential time.
Topological States and Adiabatic Pumping in Quasicrystals
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).
Adiabatic fission barriers in superheavy nuclei
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...
Hierarchical theory of quantum adiabatic evolution
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.
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.
Energy Technology Data Exchange (ETDEWEB)
Pellin, M.J.; Young, C.E.; Calaway, W.F.; Gruen, D.M.
1984-01-01
A system for surface analysis is described which has the objective of maximizing the probability of detection of atoms sputtered from the sample. Resonance ionization techniques have been combined with pulsed ion-induced erosion to detect and count Fe atoms sputtered from Fe and Fe in Si samples without the interposition of a mass spectrometer between the target and the detector (direct detection). At present, surface analysis by resonance ionization of sputtered atoms (SARISA) allows determination at the fifty parts per million (ppm) level of Fe doped into Si with removal of less than 10/sup -5/ of a monolayer. Separation of the Fe impurity from the isobaric Si/sub 2/ dimers is accomplished in the resonant photo-excitation step. Improvements in the method are suggested which, if successful, would bring the sensitivity into the parts per billion (ppb) range with primary ion currents remaining low enough to produce negligible surface damage. The quantitative and element specific nature of the SARISA technique is established by demonstrating that the ground state neutral fraction is essentially unchanged in two very different matrixes (Fe and Si). Also presented are measurements of the low-lying excited state fraction of Fe atoms sputtered both from an Fe and a Si matrix. 45 references, 5 figures, 2 tables.
Fu, Chien-Ping; Lirio, Stephen; Liu, Wan-Ling; Lin, Chia-Her; Huang, Hsi-Ya
2015-08-12
A 3D metal-organic framework (MOF) nanomaterial as matrix for surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS) and tandem mass spectrometry (MS/MS) was developed for the analysis of complex biomolecules. Unlike other nanoparticle matrices, this MOF nanomaterial does not need chemical modification prior to use. An exceptional signal reproducibility as well as very low background interferences in analyzing mono-/di-saccharides, peptides and complex starch digests demonstrate its high potential for biomolecule assays, especially for small molecules.
Electron ionization of acetylene.
King, Simon J; Price, Stephen D
2007-11-07
Relative partial ionization cross sections and precursor specific relative partial ionization cross sections for fragment ions formed by electron ionization of C2H2 have been measured using time-of-flight mass spectrometry coupled with a 2D ion-ion coincidence technique. We report data for the formation of H+, H+2, C2+, C+/C2+ 2, CH+/C2H+2, CH+2, C+2, and C2H+ relative to the formation of C2H+2, as a function of ionizing electron energy from 30-200 eV. While excellent agreement is found between our data and one set of previously published absolute partial ionization cross sections, some discrepancies exist between the results presented here and two other recent determinations of these absolute partial ionization cross sections. We attribute these differences to the loss of some translationally energetic fragment ions in these earlier studies. Our relative precursor-specific partial ionization cross sections enable us, for the first time, to quantify the contribution to the yield of each fragment ion from single, double, and triple ionization. Analysis shows that at 50 eV double ionization contributes 2% to the total ion yield, increasing to over 10% at an ionizing energy of 100 eV. From our ion-ion coincidence data, we have derived branching ratios for charge separating dissociations of the acetylene dication. Comparison of our data to recent ab initio/RRKM calculations suggest that close to the double ionization potential C2H2+2 dissociates predominantly on the ground triplet potential energy surface (3Sigma*g) with a much smaller contribution from dissociation via the lowest singlet potential energy surface (1Delta g). Measurements of the kinetic energy released in the fragmentation reactions of C2H2+2 have been used to obtain precursor state energies for the formation of product ion pairs, and are shown to be in good agreement with available experimental data and with theory.
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.
"Magic" Ionization Mass Spectrometry
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.
Ozawa, Tomoyuki; Osaka, Issey; Hamada, Satoshi; Murakami, Tatsuya; Miyazato, Akio; Kawasaki, Hideya; Arakawa, Ryuichi
2016-01-01
Plant leaves administered with systemic insecticides as agricultural chemicals were analyzed using imaging mass spectrometry (IMS). Matrix-assisted laser desorption/ionization (MALDI) is inadequate for the detection of insecticides on leaves because of the charge-up effect that occurs on the non-conductive surface of the leaves. In this study, surface-assisted laser desorption/ionization with a sputter-deposited platinum film (Pt-SALDI) was used for direct analysis of chemicals in plant leaves. Sputter-deposited platinum (Pt) films were prepared on leaves administered with the insecticides. A sputter-deposited Pt film with porous structure was used as the matrix for Pt-SALDI. Acephate and acetamiprid contained in the insecticides on the leaves could be detected using Pt-SALDI-MS, but these chemical components could not be adequately detected using MALDI-MS because of the charge-up effect. Enhancement of ion yields for the insecticides was achieved using Pt-SALDI, accompanied by prevention of the charge-up effect by the conductive Pt film. The movement of systemic insecticides in plants could be observed clearly using Pt-SALDI-IMS. The distribution and movement of components of systemic insecticides on leaves could be analyzed directly using Pt-SALDI-IMS. Additionally, changes in the properties of the chemicals with time, as an indicator of the permeability of the insecticides, could be evaluated.
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.
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.
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.
Nonadiabatic exchange dynamics during adiabatic frequency sweeps.
Barbara, Thomas M
2016-04-01
A Bloch equation analysis that includes relaxation and exchange effects during an adiabatic frequency swept pulse is presented. For a large class of sweeps, relaxation can be incorporated using simple first order perturbation theory. For anisochronous exchange, new expressions are derived for exchange augmented rotating frame relaxation. For isochronous exchange between sites with distinct relaxation rate constants outside the extreme narrowing limit, simple criteria for adiabatic exchange are derived and demonstrate that frequency sweeps commonly in use may not be adiabatic with regard to exchange unless the exchange rates are much larger than the relaxation rates. Otherwise, accurate assessment of the sensitivity to exchange dynamics will require numerical integration of the rate equations. Examples of this situation are given for experimentally relevant parameters believed to hold for in-vivo tissue. These results are of significance in the study of exchange induced contrast in magnetic resonance imaging.
Adiabatic optimization versus diffusion Monte Carlo methods
Jarret, Michael; Jordan, Stephen P.; Lackey, Brad
2016-10-01
Most experimental and theoretical studies of adiabatic optimization use stoquastic Hamiltonians, whose ground states are expressible using only real nonnegative amplitudes. This raises a question as to whether classical Monte Carlo methods can simulate stoquastic adiabatic algorithms with polynomial overhead. Here we analyze diffusion Monte Carlo algorithms. We argue that, based on differences between L1 and L2 normalized states, these algorithms suffer from certain obstructions preventing them from efficiently simulating stoquastic adiabatic evolution in generality. In practice however, we obtain good performance by introducing a method that we call Substochastic Monte Carlo. In fact, our simulations are good classical optimization algorithms in their own right, competitive with the best previously known heuristic solvers for MAX-k -SAT at k =2 ,3 ,4 .
Fast forward to the classical adiabatic invariant
Jarzynski, Christopher; Patra, Ayoti; Subaşı, Yiğit
2016-01-01
We show how the classical action, an adiabatic invariant, can be preserved under non-adiabatic conditions. Specifically, for a time-dependent Hamiltonian $H = p^2/2m + U(q,t)$ in one degree of freedom, and for an arbitrary choice of action $I_0$, we construct a "fast-forward" potential energy function $V_{\\rm FF}(q,t)$ that, when added to $H$, guides all trajectories with initial action $I_0$ to end with the same value of action. We use this result to construct a local dynamical invariant $J(q,p,t)$ whose value remains constant along these trajectories. We illustrate our results with numerical simulations. Finally, we sketch how our classical results may be used to design approximate quantum shortcuts to adiabaticity.
Rapid adiabatic passage without level crossing
Rangelov, A A; Shore, B W
2009-01-01
We present a method for achieving complete population transfer in a two-state quantum system via adiabatic time evolution in which, contrary to conventional rapid adiabatic passage produced by chirped pulses, there occurs no crossing of diabatic energy curves: there is no sign change of the detuning. Instead, we use structured pulses, in which, in addition to satisfying conditions for adiabatic evolution, there occurs a sign change of the Rabi frequency when the detuning is zero. We present simulations that offer simple geometrical interpretation of the two-dimensional motion of the Bloch vector for this system, illustrating how both complete population inversion and complete population return occur for different choices of structured pulses.
Energy efficiency of adiabatic superconductor logic
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.
Adiabatic theorem for non-hermitian time-dependent open systems
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.
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.
Alijah, Alexander
2015-01-01
Vibrational energies and wave functions of the triplet state of the H3+ ion have been determined. In the calculations, the ground and first excited triplet electronic states are included as well as the non-Born-Oppenheimer coupling between them. A diabatization procedure transforming the two adiabatic ab initio potential energy surfaces of the triplet-H3+ state into a 2x2 matrix is employed. The diabatization takes into account the non-Born-Oppenheimer coupling and the effect of the geometrical phase due to the conical intersection between the two adiabatic potential surfaces. The results are compared to the calculation involving only the lowest adiabatic potential energy surface of the triplet-H3+ ion and neglecting the geometrical phase. The energy difference between results with and without the non-adiabatic coupling and the geometrical phase is about a wave number for the lowest vibrational levels.
Complexity of the Quantum Adiabatic Algorithm
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.
On adiabatic invariant in generalized Galileon theories
Ema, Yohei; 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 useful in estimating the expansion law of the universe and also the particle production rate due to the oscillation of the Hubble parameter.
Adiabatic Quantum Computation: Coherent Control Back Action
Goswami, Debabrata
2013-01-01
Though attractive from scalability aspects, optical approaches to quantum computing are highly prone to decoherence and rapid population loss due to nonradiative processes such as vibrational redistribution. We show that such effects can be reduced by adiabatic coherent control, in which quantum interference between multiple excitation pathways is used to cancel coupling to the unwanted, non-radiative channels. We focus on experimentally demonstrated adiabatic controlled population transfer experiments wherein the details on the coherence aspects are yet to be explored theoretically but are important for quantum computation. Such quantum computing schemes also form a back-action connection to coherent control developments. PMID:23788822
Markovian quantum master equation beyond adiabatic regime
Yamaguchi, Makoto; Yuge, Tatsuro; Ogawa, Tetsuo
2017-01-01
By introducing a temporal change time scale τA(t ) for the time-dependent system Hamiltonian, a general formulation of the Markovian quantum master equation is given to go well beyond the adiabatic regime. In appropriate situations, the framework is well justified even if τA(t ) is faster than the decay time scale of the bath correlation function. An application to the dissipative Landau-Zener model demonstrates this general result. The findings are applicable to a wide range of fields, providing a basis for quantum control beyond the adiabatic regime.
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.
Startup of an industrial adiabatic tubular reactor
Verwijs, J.W.; Berg, van den H.; Westerterp, K.R.
1992-01-01
The dynamic behaviour of an adiabatic tubular plant reactor during the startup is demonstrated, together with the impact of a feed-pump failure of one of the reactants. A dynamic model of the reactor system is presented, and the system response is calculated as a function of experimentally-determine
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.
Quantum Pumping and Adiabatic Transport in Nanostructures
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
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.
Adiabatic limits,vanishing theorems and the noncommutative residue
Institute of Scientific and Technical Information of China (English)
无
2009-01-01
In this paper,we compute the adiabatic limit of the scalar curvature and prove several vanishing theorems by taking adiabatic limits.As an application,we give a Kastler-Kalau-Walze type theorem for foliations.
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.
Adiabatic and Non-adiabatic quenches in a Spin-1 Bose Einstein Condensate
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.
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.
Fixed-point adiabatic quantum search
Dalzell, Alexander M.; Yoder, Theodore J.; Chuang, Isaac L.
2017-01-01
Fixed-point quantum search algorithms succeed at finding one of M target items among N total items even when the run time of the algorithm is longer than necessary. While the famous Grover's algorithm can search quadratically faster than a classical computer, it lacks the fixed-point property—the fraction of target items must be known precisely to know when to terminate the algorithm. Recently, Yoder, Low, and Chuang [Phys. Rev. Lett. 113, 210501 (2014), 10.1103/PhysRevLett.113.210501] gave an optimal gate-model search algorithm with the fixed-point property. Previously, it had been discovered by Roland and Cerf [Phys. Rev. A 65, 042308 (2002), 10.1103/PhysRevA.65.042308] that an adiabatic quantum algorithm, operating by continuously varying a Hamiltonian, can reproduce the quadratic speedup of gate-model Grover search. We ask, can an adiabatic algorithm also reproduce the fixed-point property? We show that the answer depends on what interpolation schedule is used, so as in the gate model, there are both fixed-point and non-fixed-point versions of adiabatic search, only some of which attain the quadratic quantum speedup. Guided by geometric intuition on the Bloch sphere, we rigorously justify our claims with an explicit upper bound on the error in the adiabatic approximation. We also show that the fixed-point adiabatic search algorithm can be simulated in the gate model with neither loss of the quadratic Grover speedup nor of the fixed-point property. Finally, we discuss natural uses of fixed-point algorithms such as preparation of a relatively prime state and oblivious amplitude amplification.
Widder, Lukas; Ristic, Andjelka; Brenner, Florian; Brenner, Josef; Hutter, Herbert
2015-11-17
For many tasks in failure and damage analysis of surfaces deteriorated in heavy tribological contact, the detailed characterization of used lubricants and their additives is essential. The objective of the presented work is to establish accessibility of tribostressed surfaces for direct characterization via modified atmospheric pressure-matrix assisted laser desorption/ionization-mass spectrometry (m-AP-MALDI-MS). Special target holders were constructed to allow target samples of differing shape and form to fit into the desorption/ionization chamber. The best results of desorption and ionization on different target materials and varying roughnesses were achieved on smooth surfaces with low matrix/substrate interaction. M-AP-MALDI characterization of tribologically stressed steel surfaces after pin-on-disc sliding wear tests (SRV-tribotests) yielded positive identification of used friction modifier additives. Further structure elucidation by electrospray ionization mass spectrometry (ESI-MS) and measurements of worn surfaces by time-of-flight-secondary ion mass spectrometry (TOF-SIMS) accompanied findings about additive behavior and deterioration during tribological contact. Using m-AP-MALDI for direct offline examinations of worn surfaces may set up a quick method for determination of additives used for lubrication and general characterization of a tribological system.
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
Hojman Exact Invariants and Adiabatic Invariants of Hamilton System
Institute of Scientific and Technical Information of China (English)
无
2007-01-01
The perturbation to Lie symmetry and adiabatic invariants are studied. Based on the concept of higherorder adiabatic invariants of mechanical systems with action of a small perturbation, the perturbation to Lie symmetry is studied, and Hojman adiabatic invariants of Hamilton system are obtained. An example is given to illustrate the application of the results.
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...
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.
Quantum-Classical Correspondence of Shortcuts to Adiabaticity
Okuyama, Manaka; Takahashi, Kazutaka
2017-04-01
We formulate the theory of shortcuts to adiabaticity in classical mechanics. For a reference Hamiltonian, the counterdiabatic term is constructed from the dispersionless Korteweg-de Vries (KdV) hierarchy. Then the adiabatic theorem holds exactly for an arbitrary choice of time-dependent parameters. We use the Hamilton-Jacobi theory to define the generalized action. The action is independent of the history of the parameters and is directly related to the adiabatic invariant. The dispersionless KdV hierarchy is obtained from the classical limit of the KdV hierarchy for the quantum shortcuts to adiabaticity. This correspondence suggests some relation between the quantum and classical adiabatic theorems.
Non-adiabatic perturbations in multi-component perfect fluids
Energy Technology Data Exchange (ETDEWEB)
Koshelev, N.A., E-mail: koshna71@inbox.ru [Ulyanovsk State University, Leo Tolstoy str 42, 432970 (Russian Federation)
2011-04-01
The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.
Stimulated Raman Adiabatic Passage for Improved Performance of a Cold Atom Electron and Ion Source
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.
Institute of Scientific and Technical Information of China (English)
曲泽星; 高加力
2015-01-01
A multistate density function theory( MSDFT) based on valence bond theory was introduced. As an application, the MSDFT method was illustrated by the bond dissociation of H2 and the proton transfer between HNO3 and a water molecule. In the dissociation of H2 , the MSDFT method yields a correct behavior as the two H atoms stretch to infinity, and gives a potential well in accord with second-order perturbation using complete active space(CASPT2). For the proton transfer process of HNO3, MSDFT can be used to yield both diabatic and adiabatic potential energy curves as a function of the proton transfer reaction coordinate. For the reaction barrier height, the inclusion of an ionic state in a three-state model can significantly improve the accuracy in barrier height in comparison with the high-level results.%介绍一种基于价键理论框架的多组态密度泛函理论(MSDFT)，并以氢气(H2)分子解离过程及硝酸( HNO3)分子在水溶液中的质子转移过程为例，阐述了MSDFT方法的有效性。结果表明，对于H2分子的解离过程， MSDFT方法克服了以往单行列式密度泛函理论( DFT)的弊端，可给出正确的解离曲线，同时由于通过组态相互作用引入了静态电子相关的贡献，其计算精度可接近CASPT2水平；对于HNO3分子在水溶液中的质子转移过程， MSDFT方法可直接构建质子转移的透热势能曲线以及相应的非绝热耦合矩阵元，另一方面通过引入离子组态的贡献，可显著提升其计算精度，使其计算结果与精确结果相吻合。
Comment on ``Adiabatic theory for the bipolaron''
Smondyrev, M. A.; Devreese, J. T.
1996-05-01
Comments are given on the application of the Bogoliubov-Tyablikov approach to the bipolaron problem in a recent paper by Lakhno [Phys. Rev. B 51, 3512 (1995)]. This author believes that his model (1) is the translation-invariant adiabatic theory of bipolarons and (2) gives asymptotically exact solutions in the adiabatic limit while the other approaches are considered as either phenomenological or variational in nature. Numerical results by Lakhno are in contradiction with all other papers published on the subject because his model leads to much lower energies. Thus, the author concludes that bipolarons ``are more stable than was considered before.'' We prove that both the analytical and the numerical results presented by Lakhno are wrong.
Ramsey numbers and adiabatic quantum computing.
Gaitan, Frank; Clark, Lane
2012-01-06
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.
Ehrenfest's adiabatic hypothesis in Bohr's quantum theory
Pérez, Enric
2015-01-01
It is widely known that Paul Ehrenfest formulated and applied his adiabatic hypothesis in the early 1910s. Niels Bohr, in his first attempt to construct a quantum theory in 1916, used it for fundamental purposes in a paper which eventually did not reach the press. He decided not to publish it after having received the new results by Sommerfeld in Munich. Two years later, Bohr published "On the quantum theory of line-spectra." There, the adiabatic hypothesis played an important role, although it appeared with another name: the principle of mechanical transformability. In the subsequent variations of his theory, Bohr never suppressed this principle completely. We discuss the role of Ehrenfest's principle in the works of Bohr, paying special attention to its relation to the correspondence principle. We will also consider how Ehrenfest faced Bohr's uses of his more celebrated contribution to quantum theory, as well as his own participation in the spreading of Bohr's ideas.
Adiabatic quantum simulation of quantum chemistry.
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.
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.
Limitations of some simple adiabatic quantum algorithms
Ioannou, L M; Ioannou, Lawrence M.; Mosca, Michele
2007-01-01
Let $H(t)=(1-t/T)H_0 + (t/T)H_1$, $t\\in [0,T]$, be the Hamiltonian governing an adiabatic quantum algorithm, where $H_0$ is diagonal in the Hadamard basis and $H_1$ is diagonal in the computational basis. We prove that $H_0$ and $H_1$ must each have at least two large mutually-orthogonal eigenspaces if the algorithm's running time is to be subexponential in the number of qubits. We also reproduce the optimality proof of Farhi and Gutmann's search algorithm in the context of this adiabatic scheme; because we only consider initial Hamiltonians that are diagonal in the Hadamard basis, our result is slightly stronger than the original.
Finding cliques by quantum adiabatic evolution
Childs, A M; Goldstone, J; Gutmann, S; Childs, Andrew M.; Farhi, Edward; Goldstone, Jeffrey; Gutmann, Sam
2002-01-01
Quantum adiabatic evolution provides a general technique for the solution of combinatorial search problems on quantum computers. We present the results of a numerical study of a particular application of quantum adiabatic evolution, the problem of finding the largest clique in a random graph. An n-vertex random graph has each edge included with probability 1/2, and a clique is a completely connected subgraph. There is no known classical algorithm that finds the largest clique in a random graph with high probability and runs in a time polynomial in n. For the small graphs we are able to investigate (n <= 18), the quantum algorithm appears to require only a quadratic run time.
Energy Technology Data Exchange (ETDEWEB)
Stevanović, Vladan, E-mail: vstevano@mines.edu [Colorado School of Mines, Golden, Colorado 80401 (United States); National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Hartman, Katy; Jaramillo, R.; Buonassisi, Tonio [Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Ramanathan, Shriram [Harvard University, Cambridge, Massachusetts 02138 (United States); Graf, Peter [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)
2014-05-26
We investigated the dependence of absolute SnS band-edge energies on surface orientation using density functional theory and GW method for all surfaces with Miller indices −3≤h,k,l≤3 and found variations as large as 0.9 eV as a function of (hkl). Variations of this magnitude may affect significantly the performance of photovoltaic devices based on polycrystalline SnS thin-films and, in particular, may contribute to the relatively low measured open circuit voltage of SnS solar cells. X-ray diffraction measurements confirm that our thermally evaporated SnS films exhibit a wide distribution of different grain orientations, and the results of Kelvin force microscopy support the theoretically predicted variations of the absolute band-edge energies.
Góbi, Sándor; Bergantini, Alexandre; Kaiser, Ralf I.
2017-04-01
The aim of the present work is to unravel the radiolytic decomposition of adenine (C5H5N5) under conditions relevant to the Martian surface. Being the fundamental building block of (deoxy)ribonucleic acids, the possibility of survival of this biomolecule on the Martian surface is of primary importance to the astrobiology community. Here, neat adenine and adenine–magnesium perchlorate mixtures were prepared and irradiated with energetic electrons that simulate the secondary electrons originating from the interaction of the galactic cosmic rays with the Martian surface. Perchlorates were added to the samples since they are abundant—and therefore relevant oxidizers on the surface of Mars—and they have been previously shown to facilitate the radiolysis of organics such as glycine. The degradation of the samples were monitored in situ via Fourier transformation infrared spectroscopy and the electron ionization quadruple mass spectrometric method; temperature-programmed desorption profiles were then collected by means of the state-of-the-art single photon photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS), allowing for the detection of the species subliming from the sample. The results showed that perchlorates do increase the destruction rate of adenine by opening alternative reaction channels, including the concurrent radiolysis/oxidation of the sample. This new pathway provides a plethora of different radiolysis products that were identified for the first time. These are carbon dioxide (CO2), isocyanic acid (HNCO), isocyanate (OCN‑), carbon monoxide (CO), and nitrogen monoxide (NO); an oxidation product containing carbonyl groups (R1R2–C=O) with a constrained five-membered cyclic structure could also be observed. Cyanamide (H2N–C≡N) was detected in both irradiated samples as well.
Strong Ionization in carbon Nanowires
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.
Non-adiabatic effects in near-adiabatic mixed-field orientation and alignment
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.
Energy Technology Data Exchange (ETDEWEB)
Ford, Michael J [ORNL; Deibel, Michael A. [Earlham College; Tomkins, Bruce A [ORNL; Van Berkel, Gary J [ORNL
2005-01-01
Quantitative determination of caffeine on reversed-phase C8 thin-layer chromatography plates using a surface sampling electrospray ionization system with tandem mass spectrometry detection is reported. The thin-layer chromatography/electrospray tandem mass spectrometry method employed a deuterium-labeled caffeine internal standard and selected reaction monitoring detection. Up to nine parallel caffeine bands on a single plate were sampled in a single surface scanning experiment requiring 35 min at a surface scan rate of 44 {mu}m/s. A reversed-phase HPLC/UV caffeine assay was developed in parallel to assess the mass spectrometry method performance. Limits of detection for the HPLC/UV and thin-layer chromatography/electrospray tandem mass spectrometry methods determined from the calibration curve statistics were 0.20 ng injected (0.50 {mu}L) and 1.0 ng spotted on the plate, respectively. Spike recoveries with standards and real samples ranged between 97 and 106% for both methods. The caffeine content of three diet soft drinks (Diet Coke, Diet Cherry Coke, Diet Pepsi) and three diet sport drinks (Diet Turbo Tea, Speed Stack Grape, Speed Stack Fruit Punch) was measured. The HPLC/UV and mass spectrometry determinations were in general agreement, and these values were consistent with the quoted values for two of the three diet colas. In the case of Diet Cherry Coke and the diet sports drinks, the determined caffeine amounts using both methods were consistently higher (by 8% or more) than the literature values.
Non-adiabatic molecular dynamics with complex quantum trajectories. I. The diabatic representation.
Zamstein, Noa; Tannor, David J
2012-12-14
We extend a recently developed quantum trajectory method [Y. Goldfarb, I. Degani, and D. J. Tannor, J. Chem. Phys. 125, 231103 (2006)] to treat non-adiabatic transitions. Each trajectory evolves on a single surface according to Newton's laws with complex positions and momenta. The transfer of amplitude between surfaces stems naturally from the equations of motion, without the need for surface hopping. In this paper we derive the equations of motion and show results in the diabatic representation, which is rarely used in trajectory methods for calculating non-adiabatic dynamics. We apply our method to the first two benchmark models introduced by Tully [J. Chem. Phys. 93, 1061 (1990)]. Besides giving the probability branching ratios between the surfaces, the method also allows the reconstruction of the time-dependent wavepacket. Our results are in quantitative agreement with converged quantum mechanical calculations.
Institute of Scientific and Technical Information of China (English)
Yu-Zhuo Pan; Xue-Yuan Xiao; Dan Zhao; Ling Zhang; Guo-Yi Ji; Yang Li; Bao-Xue Yang; Da-Cheng He; Xue-Jian Zhao
2006-01-01
Aim: To identify the serum biomarkers of prostate cancer (PCa) by protein chip and bioinformatics. Methods:Serum samples from 83 PCa patients and 95 healthy men were taken from a mass screening in Changchun, China.Protein profiling was carried out using surface-enhanced laser desorption/ionization time-of-flight mass spectrometry (SELDI-TOF MS). The data of spectra were analyzed using two bioinformatics tools. Results: Eighteen serum differential proteins were identified in the PCa group compared with the control group (P ＜ 0.01). There were four proteins at the higher serum level and 14 proteins at the lower serum level in the PCa group. A decision tree classification algorithm that used an eight-protein mass pattern was developed to correctly classify the samples. A sensitivity of 92.0 % and a specificity of 96.7 % for the study group were obtained by comparing the PCa and control groups.Conclusion: We identified new serum biomarkers of PCa. SELDI-TOF MS coupled with a decision tree classification algorithm will provide a highly accurate and innovative approach for the early diagnosis of PCa.
Adiabatic Regularization for Gauge Field and the Conformal Anomaly
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.
Adiabatic passage in the presence of noise
Noel, T; Kurz, N; Shu, G; Wright, J; Blinov, B B
2011-01-01
We report on an experimental investigation of rapid adiabatic passage (RAP) in a trapped barium ion system. RAP is implemented on the transition from the $6S_{1/2}$ ground state to the metastable $5D_{5/2}$ level by applying a laser at 1.76 $\\mu$m. We focus on the interplay of laser frequency noise and laser power in shaping the effectiveness of RAP, which is commonly assumed to be a robust tool for high efficiency population transfer. However, we note that reaching high state transfer fidelity requires a combination of small laser linewidth and large Rabi frequency.
Shortcuts to adiabaticity for quantum annealing
Takahashi, Kazutaka
2017-01-01
We study the Ising Hamiltonian with a transverse field term to simulate the quantum annealing. Using shortcuts to adiabaticity, we design the time dependence of the Hamiltonian. The dynamical invariant is obtained by the mean-field ansatz, and the Hamiltonian is designed by the inverse engineering. We show that the time dependence of physical quantities such as the magnetization is independent of the speed of the Hamiltonian variation in the infinite-range model. We also show that rotating transverse magnetic fields are useful to achieve the ideal time evolution.
On adiabatic perturbations in the ekpyrotic scenario
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.
On adiabatic perturbations in the ekpyrotic scenario
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.
Adiabatic Wave-Particle Interaction Revisited
Dewar, R L; 10.1585/pfr.4.001
2009-01-01
In this paper we calculate and visualize the dynamics of an ensemble of electrons trapping in an electrostatic wave of slowly increasing amplitude, illustrating that, despite disordering of particles in angle during the trapping transition as they pass close to X-points, there is still an adiabatic invariant for the great majority of particles that allows the long-time distribution function to be predicted. Possible application of this approach to recent work on the nonlinear frequency shift of a driven wave is briefly discussed.
Adiabatic quantum algorithm for search engine ranking
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.
Quantum Adiabatic Evolution Algorithms with Different Paths
Farhi, E; Gutmann, S; Farhi, Edward; Goldstone, Jeffrey; Gutmann, Sam
2002-01-01
In quantum adiabatic evolution algorithms, the quantum computer follows the ground state of a slowly varying Hamiltonian. The ground state of the initial Hamiltonian is easy to construct; the ground state of the final Hamiltonian encodes the solution of the computational problem. These algorithms have generally been studied in the case where the "straight line" path from initial to final Hamiltonian is taken. But there is no reason not to try paths involving terms that are not linear combinations of the initial and final Hamiltonians. We give several proposals for randomly generating new paths. Using one of these proposals, we convert an algorithmic failure into a success.
Generalized Ramsey numbers through adiabatic quantum optimization
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.
Adiabatic quantum computation and quantum phase transitions
Latorre, J I; Latorre, Jose Ignacio; Orus, Roman
2003-01-01
We analyze the ground state entanglement in a quantum adiabatic evolution algorithm designed to solve the NP-complete Exact Cover problem. The entropy of entanglement seems to obey linear and universal scaling at the point where the mass gap becomes small, suggesting that the system passes near a quantum phase transition. Such a large scaling of entanglement suggests that the effective connectivity of the system diverges as the number of qubits goes to infinity and that this algorithm cannot be efficiently simulated by classical means. On the other hand, entanglement in Grover's algorithm is bounded by a constant.
Grofe, Adam; Qu, Zexing; Truhlar, Donald G; Li, Hui; Gao, Jiali
2017-03-14
We describe a diabatic-at-construction (DAC) strategy for defining diabatic states to determine the adiabatic ground and excited electronic states and their potential energy surfaces using the multistate density functional theory (MSDFT). The DAC approach differs in two fundamental ways from the adiabatic-to-diabatic (ATD) procedures that transform a set of preselected adiabatic electronic states to a new representation. (1) The DAC states are defined in the first computation step to form an active space, whose configuration interaction produces the adiabatic ground and excited states in the second step of MSDFT. Thus, they do not result from a similarity transformation of the adiabatic states as in the ATD procedure; they are the basis for producing the adiabatic states. The appropriateness and completeness of the DAC active space can be validated by comparison with experimental observables of the ground and excited states. (2) The DAC diabatic states are defined using the valence bond characters of the asymptotic dissociation limits of the adiabatic states of interest, and they are strictly maintained at all molecular geometries. Consequently, DAC diabatic states have specific and well-defined physical and chemical meanings that can be used for understanding the nature of the adiabatic states and their energetic components. Here we present results for the four lowest singlet states of LiH and compare them to a well-tested ATD diabatization method, namely the 3-fold way; the comparison reveals both similarities and differences between the ATD diabatic states and the orthogonalized DAC diabatic states. Furthermore, MSDFT can provide a quantitative description of the ground and excited states for LiH with multiple strongly and weakly avoided curve crossings spanning over 10 Å of interatomic separation.
Exact invariants and adiabatic invariants of the singular Lagrange system
Institute of Scientific and Technical Information of China (English)
陈向炜; 李彦敏
2003-01-01
Based on the theory of symmetries and conserved quantities of the singular Lagrange system,the perturbations to the symmetries and adiabatic invariants of the singular Lagrange systems are discussed.Firstly,the concept of higher-order adiabatic invariants of the singular Lagrange system is proposed.Then,the conditions for the existence of the exact invariants and adiabatic invariants are proved,and their forms are given.Finally,an example is presented to illustrate these results.
Generating shortcuts to adiabaticity in quantum and classical dynamics
Jarzynski, Christopher
2013-01-01
Transitionless quantum driving achieves adiabatic evolution in a hurry, using a counter-diabatic Hamiltonian to stifle non-adiabatic transitions. Here this strategy is cast in terms of a generator of adiabatic transport, leading to a classical analogue: dissipationless classical driving. For the single-particle piston, this approach yields simple and exact expressions for both the classical and quantal counter-diabatic terms. These results are further generalized to even-power-law potentials in one degree of freedom.
Correlated mixtures of adiabatic and isocurvature cosmological perturbations
Langlois, D; Langlois, David; Riazuelo, Alain
2000-01-01
We examine the consequences of the existence of correlated mixtures of adiabatic and isocurvature perturbations on the CMB and large scale structure. In particular, we consider the four types of ``elementary'' totally correlated hybrid initial conditions, where only one of the four matter species (photons, baryons, neutrinos, CDM) deviates from adiabaticity. We then study the height and position of the acoustic peaks with respect to the large angular scale plateau as a function of the isocurvature to adiabatic ratio.
Directory of Open Access Journals (Sweden)
Pelloux Hervé
2011-07-01
Full Text Available Abstract Background Surface-enhanced laser desorption ionization time-of-flight mass spectrometry (SELDI-TOF-MS was applied to analyze the protein profiles in both somatic and metabolic extracts of Aspergillus species. The study was carried out on some Aspergillus species within the Fumigati section (Aspergillus fumigatus wild-types and natural abnormally pigmented mutants, and Aspergillus lentulus. The aim was to validate whether mass spectrometry protein profiles can be used as specific signatures to discriminate different Aspergillus species or even mutants within the same species. Results The growth conditions and the SELDI-TOF parameters were determined to generate characteristic protein profiles of somatic and metabolic extracts of Aspergillus fumigatus strains using five different ProteinChips®, eight growth conditions combining two temperatures, two media and two oxygenation conditions. Nine strains were investigated: three wild-types and four natural abnormally pigmented mutant strains of A. fumigatus and two strains of A. lentulus. A total of 242 fungal extracts were prepared. The spectra obtained are protein signatures linked to the physiological states of fungal strains depending on culture conditions. The best resolutions were obtained using the chromatographic surfaces CM10, NP20 and H50 with fractions of fungi grown on modified Sabouraud medium at 37°C in static condition. Under these conditions, the SELDI-TOF analysis allowed A. fumigatus and A. lentulus strains to be grouped into distinct clusters. Conclusions SELDI-TOF analysis distinguishes A. fumigatus from A. lentulus strains and moreover, permits separate clusters of natural abnormally pigmented A. fumigatus strains to be obtained. In addition, this methodology allowed us to point out fungal components specifically produced by a wild-type strain or natural mutants. It offers attractive potential for further studies of the Aspergillus biology or pathogenesis.
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.
Magnesium Diboride Superconducting Coils for Adiabatic Demagnetization Refrigerators (ADR's) Project
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...
Ultrafast hydrogen migration in acetylene cation driven by non-adiabatic effects.
Madjet, Mohamed El-Amine; Li, Zheng; Vendrell, Oriol
2013-03-07
Non-adiabatic dynamics of the acetylene cation is investigated using mixed quantum-classical dynamics based on trajectory surface hopping. To describe the non-adiabatic effects, two surface hopping methods are used, namely, Tully's fewest switches and Landau-Zener surface hopping. Similarities and differences between the results based on those two methods are discussed. We find that the photoionization of acetylene into the first excited state A(2)Σg(+) drives the molecule from the linear structure to a trans-bent structure. Through a conical intersection the acetylene cation can relax back to either the ground state of acetylene or vinylidene. We conclude that hydrogen migration always takes place after non-radiative electronic relaxation to the ground state of the monocation. Based on the analysis of correlation functions we identify coherent oscillations between acetylene and vinylidene with a period of about 70 fs after the electronic relaxation.
Quantum Adiabatic Algorithms and Large Spin Tunnelling
Boulatov, A.; Smelyanskiy, V. N.
2003-01-01
We provide a theoretical study of the quantum adiabatic evolution algorithm with different evolution paths proposed in this paper. The algorithm is applied to a random binary optimization problem (a version of the 3-Satisfiability problem) where the n-bit cost function is symmetric with respect to the permutation of individual bits. The evolution paths are produced, using the generic control Hamiltonians H (r) that preserve the bit symmetry of the underlying optimization problem. In the case where the ground state of H(0) coincides with the totally-symmetric state of an n-qubit system the algorithm dynamics is completely described in terms of the motion of a spin-n/2. We show that different control Hamiltonians can be parameterized by a set of independent parameters that are expansion coefficients of H (r) in a certain universal set of operators. Only one of these operators can be responsible for avoiding the tunnelling in the spin-n/2 system during the quantum adiabatic algorithm. We show that it is possible to select a coefficient for this operator that guarantees a polynomial complexity of the algorithm for all problem instances. We show that a successful evolution path of the algorithm always corresponds to the trajectory of a classical spin-n/2 and provide a complete characterization of such paths.
The genesis of adiabatic shear bands
Landau, P.; Osovski, S.; Venkert, A.; Gärtnerová, V.; Rittel, D.
2016-11-01
Adiabatic shear banding (ASB) is a unique dynamic failure mechanism that results in an unpredicted catastrophic failure due to a concentrated shear deformation mode. It is universally considered as a material or structural instability and as such, ASB is hardly controllable or predictable to some extent. ASB is modeled on the premise of stability analyses. The leading paradigm is that a competition between strain (rate) hardening and thermal softening determines the onset of the failure. It was recently shown that microstructural softening transformations, such as dynamic recrystallization, are responsible for adiabatic shear failure. These are dictated by the stored energy of cold work, so that energy considerations can be used to macroscopically model the failure mechanism. The initial mechanisms that lead to final failure are still unknown, as well as the ASB formation mechanism(s). Most of all - is ASB an abrupt instability or rather a gradual transition as would be dictated by microstructural evolutions? This paper reports thorough microstructural characterizations that clearly show the gradual character of the phenomenon, best described as a nucleation and growth failure mechanism, and not as an abrupt instability as previously thought. These observations are coupled to a simple numerical model that illustrates them.
Measurements of the Effect of Adiabat on Shell Decompression in Direct-Drive Implosions on OMEGA
Michel, D. T.; Hu, S. X.; Radha, P. B.; Davis, A. K.; Craxton, R. S.; Glebov, V. Yu.; Goncharov, V. N.; Igumenshchev, I. V.; Stoeckl, C.; Froula, D. H.
2016-10-01
Measurements of the effect of adiabat (α) on the shell thickness were performed in direct-drive implosions. The maximum in-flight shell thickness was obtained using a novel technique where the outer and inner surfaces of the shell were simultaneously measured using self-emission images of the imploding target. When reducing the shell's adiabat from α = 6 to α = 4.5 , the shell thickness was measured to decrease from 75 μm to 60 μm, but when decreasing the adiabat further (α = 1.8), the shell thickness was measured to increase to 75 μm. The measured shell thickness, shell trajectories, neutron bang time, and neutron yield were reproduced by two-dimensional simulations that include laser imprint, nonlocal thermal transport, cross-beam energy transfer, and first-principles equation-of-state models. These results show that the decompression of the shell measured for low-adiabat implosions was a result of laser imprint. Additional information on the evolution of the density profile was obtained using x-ray radiography. The backlighter was created with six of the 60 OMEGA laser beams, with the pointings and energies of other beams adjusted to maintain a uniform implosion. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.
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.
Adiabat-shaping in indirect drive inertial confinement fusion
Energy Technology Data Exchange (ETDEWEB)
Baker, K. L.; Robey, H. F.; Milovich, J. L.; Jones, O. S.; Smalyuk, V. A.; Casey, D. T.; MacPhee, A. G.; Pak, A.; Celliers, P. M.; Clark, D. S.; Landen, O. L.; Peterson, J. L.; Berzak-Hopkins, L. F.; Weber, C. R.; Haan, S. W.; Döppner, T. D.; Dixit, S.; Hamza, A. V.; Jancaitis, K. S.; Kroll, J. J. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); and others
2015-05-15
Adiabat-shaping techniques were investigated in indirect drive inertial confinement fusion experiments on the National Ignition Facility as a means to improve implosion stability, while still maintaining a low adiabat in the fuel. Adiabat-shaping was accomplished in these indirect drive experiments by altering the ratio of the picket and trough energies in the laser pulse shape, thus driving a decaying first shock in the ablator. This decaying first shock is designed to place the ablation front on a high adiabat while keeping the fuel on a low adiabat. These experiments were conducted using the keyhole experimental platform for both three and four shock laser pulses. This platform enabled direct measurement of the shock velocities driven in the glow-discharge polymer capsule and in the liquid deuterium, the surrogate fuel for a DT ignition target. The measured shock velocities and radiation drive histories are compared to previous three and four shock laser pulses. This comparison indicates that in the case of adiabat shaping the ablation front initially drives a high shock velocity, and therefore, a high shock pressure and adiabat. The shock then decays as it travels through the ablator to pressures similar to the original low-adiabat pulses when it reaches the fuel. This approach takes advantage of initial high ablation velocity, which favors stability, and high-compression, which favors high stagnation pressures.
Sufficient Condition for Validity of Quantum Adiabatic Theorem
Institute of Scientific and Technical Information of China (English)
TAO Yong
2012-01-01
In this paper, we attempt to give a sufficient condition of guaranteeing the validity of the proof of the quantum adiabatic theorem. The new sufficient condition can clearly remove the inconsistency and the counterexample of the quantum adiabatic theorem pointed out by Marzlin and Sanders [Phys. Rev. Lett. 93 （2004） 160408].
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...
High Fidelity Adiabatic Quantum Computation via Dynamical Decoupling
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.
Quantum adiabatic algorithm for factorization and its experimental implementation.
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.
Teleportation of an Unknown Atomic State via Adiabatic Passage
Institute of Scientific and Technical Information of China (English)
无
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.
Entropy in adiabatic regions of convection simulations
Tanner, Joel D; Demarque, Pierre
2016-01-01
One of the largest sources of uncertainty in stellar models is caused by the treatment of convection in stellar envelopes. One dimensional stellar models often make use of the mixing length or equivalent approximations to describe convection, all of which depend on various free parameters. There have been attempts to rectify this by using 3D radiative-hydrodynamic simulations of stellar convection, and in trying to extract an equivalent mixing length from the simulations. In this paper we show that the entropy of the deeper, adiabatic layers in these simulations can be expressed as a simple function of og g and log T_{eff} which holds potential for calibrating stellar models in a simple and more general manner.
Adiabatic scaling relations of galaxy clusters
Ascasibar, Y; Yepes, G; Müller, V; Gottlöber, S
2006-01-01
The aim of the present work is to show that, contrary to popular belief, galaxy clusters are **not** expected to be self-similar, even when the only energy sources available are gravity and shock-wave heating. In particular, we investigate the scaling relations between mass, luminosity and temperature of galaxy groups and clusters in the absence of radiative processes. Theoretical expectations are derived from a polytropic model of the intracluster medium and compared with the results of high-resolution adiabatic gasdynamical simulations. It is shown that, in addition to the well-known relation between the mass and concentration of the dark matter halo, the effective polytropic index of the gas also varies systematically with cluster mass, and therefore neither the dark matter nor the gas profiles are exactly self-similar. It is remarkable, though, that the effects of concentration and polytropic index tend to cancel each other, leading to scaling relations whose logarithmic slopes roughly match the predictio...
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.
Conformal Symmetries of Adiabatic Modes in Cosmology
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.
Sliding seal materials for adiabatic engines
Lankford, J.
1985-01-01
The sliding friction coefficients and wear rates of promising carbide, oxide, and nitride materials were measured under temperature, environmental, velocity, loading conditions that are representative of the adiabatic engine environment. In order to provide guidance needed to improve materials for this application, the program stressed fundamental understanding of the mechanisms involved in friction and wear. Microhardness tests were performed on the candidate materials at elevated temperatures, and in atmospheres relevant to the piston seal application, and optical and electron microscopy were used to elucidate the micromechanisms of wear following wear testing. X-ray spectroscopy was used to evaluate interface/environment interactions which seemed to be important in the friction and wear process. Electrical effects in the friction and wear processes were explored in order to evaluate the potential usefulness of such effects in modifying the friction and wear rates in service. However, this factor was found to be of negligible significance in controlling friction and wear.
Adiabatic perturbations in coupled scalar field cosmologies
Beyer, Joschka
2014-01-01
We present a comprehensive and gauge invariant treatment of perturbations around cosmological scaling solutions for two canonical scalar fields coupled through a common potential in the early universe, in the presence of neutrinos, photons and baryons, but excluding cold dark matter. This setup is relevant for analyzing cosmic perturbations in scalar field models of dark matter with a coupling to a quintessence field. We put strong restrictions on the shape of the common potential and adopt a matrix-eigensystem approach to determine the dominant perturbations modes in such models. Similar to recent results in scenarios where standard cold dark matter couples to quintessence, we show that the stability of the adiabatic perturbation mode can be an issue for this class of scalar field dark matter models, but only for specific choices of the common potential. For an exponential coupling potential, a rather common shape arising naturally in many instances, this problem can be avoided. We explicitly calculate the d...
Adiabatic density-functional perturbation theory
Gonze, Xavier
1995-08-01
The treatment of adiabatic perturbations within density-functional theory is examined, at arbitrary order of the perturbation expansion. Due to the extremal property of the energy functional, standard variation-perturbation theorems can be used. The different methods (Sternheimer equation, extremal principle, Green's function, and sum over state) for obtaining the perturbation expansion of the wave functions are presented. The invariance of the Hilbert space of occupied wave functions with respect to a unitary transformation leads to the definition of a ``parallel-transport-gauge'' and a ``diagonal-gauge'' perturbation expansion. Then, the general expressions are specialized for the second, third, and fourth derivative of the energy, with an example of application of the method up to third order.
Investigating the Performance of an Adiabatic Quantum Optimization Processor
Rose, Geordie; Dickson, Neil G; Hamze, Firas; Amin, M H S; Drew-Brook, Marshall; Chudak, Fabian A; Bunyk, Paul I; Macready, William G
2010-01-01
We calculate median adiabatic times (in seconds) of a specific superconducting adiabatic quantum processor for an NP-hard Ising spin glass instance class with up to N=128 binary variables. To do so, we ran high performance Quantum Monte Carlo simulations on a large-scale Internet-based computing platform. We compare the median adiabatic times with the median running times of two classical solvers and find that, for problems with up to 128 variables, the adiabatic times for the simulated processor architecture are about 4 and 6 orders of magnitude shorter than the two classical solvers' times. This performance difference shows that, even in the potential absence of a scaling advantage, adiabatic quantum optimization may outperform classical solvers.
Adiabatic logic future trend and system level perspective
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...
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.
How detrimental is decoherence in adiabatic quantum computation?
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...
Shortcuts to adiabaticity in cutting a spin chain
Ren, Feng-Hua; Wang, Zhao-Ming; Gu, Yong-Jian
2017-01-01
"Shortcuts to adiabaticity" represents a strategy for accelerating a quantum adiabatic process, is useful for preparing or manipulating a quantum state. In this paper, we investigate the adiabaticity in the dynamics of an XY spin chain. During the process of cutting one long chain into two short chains, a "shortcut" can be obtained by applying a sequence of external pulses. The fidelity which measures the adiabaticity can be dramatically enhanced by increasing the pulse strength or pulse duration time. This reliability can be kept for different types of pulses, such as random pulse time interval or random strength. The free choice of the pulse can be explained by the adiabatic representation of the Hamiltonian, and it shows that the control effects are determined by the integral of the control function in the time domain.
Hollenberg, Sebastian
2011-01-01
The standard wave function approach for the treatment of neutrino oscillations fails in situations where quantum ensembles at a finite temperature with or without an interacting background plasma are encountered. As a first step to treat such phenomena in a novel way, we propose a unified approach to both adiabatic and non-adiabatic two-flavor oscillations in neutrino ensembles with finite temperature and generic (e.g. matter) potentials. Neglecting effects of ensemble decoherence for now we study the evolution of a neutrino ensemble governed by the associated Quantum Kinetic Equations, which apply to systems with finite temperature. The Quantum Kinetic Equations are solved formally using the Magnus expansion and it is shown that a convenient choice of the quantum mechanical picture (e.g. the interaction picture) reveals suitable parameters to characterize the physics of the underlying system (e.g. an effective oscillation length). It is understood that this method also provides a promising starting point for...
Adiabatic vs. non-adiabatic determination of specific absorption rate of ferrofluids
Energy Technology Data Exchange (ETDEWEB)
Natividad, Eva [Instituto de Ciencia de Materiales de Aragon (CSIC-Universidad de Zaragoza), Sede Campus Rio Ebro, Maria de Luna, 3, 50018 Zaragoza (Spain); Castro, Miguel [Instituto de Ciencia de Materiales de Aragon (CSIC-Universidad de Zaragoza), Sede Campus Rio Ebro, Maria de Luna, 3, 50018 Zaragoza (Spain)], E-mail: mcastro@unizar.es; Mediano, Arturo [Grupo de Electronica de Potencia y Microelectronica (GEPM), Instituto de Investigacion en Ingenieria de Aragon (Universidad de Zaragoza), Maria de Luna, 3, 50018 Zaragoza (Spain)
2009-05-15
The measurement of temperature variations in adiabatic conditions allows the determination of the specific absorption rate of magnetic nanoparticles and ferrofluids from the correct incremental expression, SAR=(1/m{sub MNP})C({delta}T/{delta}t). However, when measurements take place in non-adiabatic conditions, one must approximate this expression by SAR{approx}C{beta}/m{sub MNP}, where {beta} is the initial slope of the temperature vs. time curve during alternating field application. The errors arising from the use of this approximation were estimated through several experiments with different isolating conditions, temperature sensors and sample-sensor contacts. It is concluded that small to appreciable errors can appear, which are difficult to infer or control.
Quantum-statistical equation-of-state models of dense plasmas: high-pressure Hugoniot shock adiabats
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.
Vibrational dynamics of the bifluoride ion. II. Adiabatic separation and proton dynamics
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
Nonequilibrium adiabatic molecular dynamics simulations of methane clathrate hydrate decomposition
Alavi, Saman; Ripmeester, J. A.
2010-04-01
Nonequilibrium, constant energy, constant volume (NVE) molecular dynamics simulations are used to study the decomposition of methane clathrate hydrate in contact with water. Under adiabatic conditions, the rate of methane clathrate decomposition is affected by heat and mass transfer arising from the breakup of the clathrate hydrate framework and release of the methane gas at the solid-liquid interface and diffusion of methane through water. We observe that temperature gradients are established between the clathrate and solution phases as a result of the endothermic clathrate decomposition process and this factor must be considered when modeling the decomposition process. Additionally we observe that clathrate decomposition does not occur gradually with breakup of individual cages, but rather in a concerted fashion with rows of structure I cages parallel to the interface decomposing simultaneously. Due to the concerted breakup of layers of the hydrate, large amounts of methane gas are released near the surface which can form bubbles that will greatly affect the rate of mass transfer near the surface of the clathrate phase. The effects of these phenomena on the rate of methane hydrate decomposition are determined and implications on hydrate dissociation in natural methane hydrate reservoirs are discussed.
On the General Class of Models of Adiabatic Evolution
Sun, Jie; Lu, Songfeng; Liu, Fang
2016-10-01
The general class of models of adiabatic evolution was proposed to speed up the usual adiabatic computation in the case of quantum search problem. It was shown [8] that, by temporarily increasing the ground state energy of a time-dependent Hamiltonian to a suitable quantity, the quantum computation can perform the calculation in time complexity O(1). But it is also known that if the overlap between the initial and final states of the system is zero, then the computation based on the generalized models of adiabatic evolution can break down completely. In this paper, we find another severe limitation for this class of adiabatic evolution-based algorithms, which should be taken into account in applications. That is, it is still possible that this kind of evolution designed to deal with the quantum search problem fails completely if the interpolating paths in the system Hamiltonian are chosen inappropriately, while the usual adiabatic evolutions can do the same job relatively effectively. This implies that it is not always recommendable to use nonlinear paths in adiabatic computation. On the contrary, the usual simple adiabatic evolution may be sufficient for effective use.
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.
Approximability of optimization problems through adiabatic quantum computation
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
EXACT AND ADIABATIC INVARIANTS OF FIRST-ORDER LAGRANGE SYSTEMS
Institute of Scientific and Technical Information of China (English)
陈向炜; 尚玫; 梅凤翔
2001-01-01
A system of first-order differential equations is expressed in the form of first-order Lagrange equations. Based on the theory of symmetries and conserved quantities of first-order Lagrange systems, the perturbation to the symmetries and adiabatic invariants of first-order Lagrange systems are discussed. Firstly, the concept of higher-order adiabatic invariants of the first-order Lagrange system is proposed. Then, conditions for the existence of the exact and adiabatic invariants are proved, and their forms are given. Finally, an example is presented to illustrate these results.
Adiabatic control of atomic dressed states for transport and sensing
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.
Adiabatic nanofocusing: Spectroscopy, transport and imaging investigation of the nano world
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.
Adiabatic electronic flux density: a Born-Oppenheimer Broken Symmetry ansatz
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...
Penetration of a resonant magnetic perturbation in an adiabatically rippled plasma slab
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...
Fully quantum non-adiabatic dynamics in electronic-nuclear coherent state basis
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...
Adiabatic Quantum Algorithm for Search Engine Ranking
Garnerone, Silvano; Zanardi, Paolo; Lidar, Daniel A.
2012-06-01
We propose an adiabatic quantum algorithm for generating a quantum pure state encoding of 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 algorithm can prepare the quantum PageRank state in a time which, on average, scales polylogarithmically in the number of web pages. We argue that the main topological feature of the underlying web graph allowing for such a scaling is the out-degree distribution. The top-ranked log(n) entries of the quantum PageRank state can then be estimated with a polynomial quantum speed-up. Moreover, the quantum PageRank state can be used in “q-sampling” protocols for testing properties of distributions, which require exponentially fewer measurements than all classical schemes designed for the same task. This can be used to decide whether to run a classical update of the PageRank.
Design of the PIXIE Adiabatic Demagnetization Refrigerators
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.
Adiabatic quantum algorithm for search engine ranking.
Garnerone, Silvano; Zanardi, Paolo; Lidar, Daniel A
2012-06-08
We propose an adiabatic quantum algorithm for generating a quantum pure state encoding of 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 algorithm can prepare the quantum PageRank state in a time which, on average, scales polylogarithmically in the number of web pages. We argue that the main topological feature of the underlying web graph allowing for such a scaling is the out-degree distribution. The top-ranked log(n) entries of the quantum PageRank state can then be estimated with a polynomial quantum speed-up. Moreover, the quantum PageRank state can be used in "q-sampling" protocols for testing properties of distributions, which require exponentially fewer measurements than all classical schemes designed for the same task. This can be used to decide whether to run a classical update of the PageRank.
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...
Strong Field Molecular Ionization in the Impulsive Limit: Freezing Vibrations with Short Pulses
Sándor, Péter; Zhao, Arthur; Rozgonyi, Tamás; Ruckenbauer, Matthias; Marquetand, Philipp; Weinacht, Thomas
2016-01-01
We study strong-field molecular ionization as a function of pulse duration. Experimental measurements of the photoelectron yield for a number of molecules reveal competition between different ionization continua (cationic states) which depends strongly on pulse duration. Surprisingly, in the limit of short pulse duration, we find that a single ionic continuum dominates the yield, whereas multiple continua are produced for longer pulses. Using calculations which take vibrational dynamics into account, we interpret our results in terms of nuclear motion and non-adiabatic dynamics during the ionization process.
Stimulated Raman adiabatic passage for improved performance of a cold-atom electron and ion source
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.
Reiss, Howard R.; Smirnov, Boris M.
2001-03-01
A comprehensive textbook and reference for the study of the physics of ionized gases The 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. In all cases, the emphasis is on a clear and unified understanding of the basic physics that underlies all plasma phenomena. Thus, there are chapters on plasma behavior from the viewpoint of atomic and molecular physics, as well as on the macroscopic phenomena involved in physical kinetics of plasmas and the transport of radiation and of charged particles within plasmas. With this grounding in the fundamental physics of plasmas, the notoriously difficult subjects of nonlinear phenomena and of instabilities in plasmas are then treated with comprehensive clarity.
Adiabatic rotation, quantum search, and preparation of superposition 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.
Adiabatic shear bands localization in materials undergoing deformations
Ryabov, P. N.; Kudryashov, N. A.; Muratov, R. V.
2017-01-01
We consider the adiabatic shear banding phenomenon in composite materials undergoing the high speed shear deformations. The mathematical model of adiabatic shear banding in thermo-visco-plastic material is given. New two step numerical algorithm which is based on the Courant-Isaacson-Rees scheme that allows one to simulate fully localized plastic flow from initial stage of localization is proposed. To test this numerical algorithm we use three benchmark problems. The testing results show the accuracy and efficiency of proposed algorithm. The features of adiabatic shear bands formation in composites are studied. The existence of characteristic depth of localization in composites is shown. Influence of initial temperature distribution on the processes of adiabatic shear bands formation in composites is considered.
Magnesium Diboride Superconducting Coils for Adiabatic Demagnetization Refrigerators (ADR's) Project
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...
Low-power adiabatic 9T static random access memory
Directory of Open Access Journals (Sweden)
Yasuhiro Takahashi
2014-06-01
Full Text Available In this paper, the authors propose a novel static random access memory (SRAM that employs the adiabatic logic principle. To reduce energy dissipation, the proposed adiabatic SRAM is driven by two trapezoidal-wave pulses. The cell structure of the proposed SRAM has two high-value resistors based on a p-type metal-oxide semiconductor transistor, a cross-coupled n-type metal-oxide semiconductor (NMOS pair and an NMOS switch to reduce the short-circuit current. The inclusion of a transmission-gate controlled by a write word line signal allows the proposed circuit to operate as an adiabatic SRAM during data writing. Simulation results show that the energy dissipation of the proposed SRAM is lower than that of a conventional adiabatic SRAM.
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...
Ionization of Atoms by Slow Heavy Particles, Including Dark Matter.
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.
Mass-Analyzed Threshold Ionization of LaO2
Wu, Lu; Zhang, Changhua; Krasnokutski, Sergiy; Yang, Dong-Sheng
2010-06-01
Lanthanum oxide, LaO2, is produced in a pulsed laser-vaporization metal-cluster source and studied by mass-analyzed threshold ionization (MATI) spectroscopy. From the MATI spectrum, the adiabatic ionization energy of LaO2 is determined to be 40134 (5) Cm-1 or 4.976 (6) eV, and La+-O stretching and O-La+-O bending frequencies are measured as 656 and 120 Cm-1. The measured ionization energy is about 3.0 eV lower than the value predicted by recent high-level ab initio calculations. In this talk, we will discuss the discrepancy between the experiment and theory and the electronic transition observed in our experiment. T. K. Todorova, I. Infante, L. Gagliardi, and J. M. Dyke, J. Phys. Chem. A 112, 7825 (2008).
Adiabatic invariants of the extended KdV equation
Karczewska, Anna; Infeld, Eryk; Rowlands, George
2015-01-01
When the Euler equations for shallow water are taken to the next order, beyond KdV, $\\eta^2$ is no longer an invariant. (It would seem that $\\eta$ is the only one.) However, two adiabatic invariants akin to $\\eta^2$ can be found. Here we present and test them. When the KdV expansion parameters are zero, $\\eta^2$ is recovered from both adiabatic invariants.
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.
Adiabatic CMB perturbations in pre-big bang string cosmology
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 $-0.1 \\lesssim \\Delta n \\lesssim 0.3$.
A Solved Model to Show Insufficiency of Quantitative Adiabatic Condition
Institute of Scientific and Technical Information of China (English)
LIU Long-Jiang; LIU Yu-Zhen; TONG Dian-Min
2009-01-01
The adiabatic theorem is a useful tool in processing quantum systems slowly evolving,but its practical application depends on the quantitative condition expressed by Hamiltonian's eigenvalues and eigenstates,which is usually taken as a sufficient condition.Recently,the sumciency of the condition was questioned,and several counterex amples have been reported.Here we present a new solved model to show the insufficiency of the traditional quantitative adiabatic condition.
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...... in the axion field can give rise to a nearly flat spectrum of adiabatic perturbations with a spectral tilt $\\Delta n$ in the range $-0.1 \\lesssim \\Delta n \\lesssim 1$....
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.
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.
Adiabatic calorimetric decomposition studies of 50 wt.% hydroxylamine/water.
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.
Ionization Energies of Lanthanides
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…
Adiabatic Effectiveness and Heat Transfer Coefficient on a Film-Cooled Rotating Blade
Garg, Vijay K.
1997-01-01
three-dimensional Navier-Stokes code has been used to compute the adiabatic effectiveness and heat transfer coefficient on a rotating film-cooled turbine blade. The blade chosen is the United Technologies Research Center(UTRC) rotor with five film-cooling rows containing 83 holes, including three rows on the shower head with 49 holes, covering about 86% of the blade span. The mainstream is akin to that under real engine conditions with stagnation temperature 1900 K and stagnation pressure 3 MPa. The blade speed is taken to be 5200 rpm. The adiabatic effectiveness is higher for a rotating blade as compared to that for a stationary blade. Also, the direction of coolant injection from the shower-head holes considerably affects the effectiveness and heat transfer coefficient values on both the pressure and suction surfaces. In all cases the heat transfer coefficient and adiabatic effectiveness are highly three-dimensional in the vicinity of holes but tend to become two-dimensional far downstream.
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.
Perturbation to Unified Symmetry and Adiabatic Invariants for Relativistic Hamilton Systems
Institute of Scientific and Technical Information of China (English)
ZHANG Ming-Jiang; FANG Jian-Hui; LU Kai; PANG Ting; LIN Peng
2009-01-01
Based on the concept of adiabatic invariant, the perturbation to unified symmetry and adiabatic invariants for relativistic Hamilton systems are studied. The definition of the perturbation to unified symmetry for the system is presented, and the criterion of the perturbation to unified symmetry is given. Meanwhile, the Noether adiabatic invariants, the generalized Hojman adiabatic invariants, and the Mei adiabatic invariants for the perturbed system are obtained.
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.
LETTERS AND COMMENTS: Adiabatic process reversibility: microscopic and macroscopic views
Anacleto, Joaquim; Pereira, Mário G.
2009-05-01
The reversibility of adiabatic processes was recently addressed by two publications. In the first (Miranda 2008 Eur. J. Phys. 29 937-43), an equation was derived relating the initial and final volumes and temperatures for adiabatic expansions of an ideal gas, using a microscopic approach. In that relation the parameter r accounts for the process reversibility, ranging between 0 and 1, which corresponds to the free and reversible expansion, respectively. In the second (Anacleto and Pereira 2009 Eur. J. Phys. 30 177-83), the authors have shown that thermodynamics can effectively and efficiently be used to obtain the general law for adiabatic processes carried out by an ideal gas, including compressions, for which r \\ge 1. The present work integrates and extends the aforementioned studies, providing thus further insights into the analysis of the adiabatic process. It is shown that Miranda's work is wholly valid for compressions. In addition, it is demonstrated that the adiabatic reversibility coefficient given in terms of the piston velocity and the root mean square velocity of the gas particles is equivalent to the macroscopic description, given just by the quotient between surroundings and system pressure values.
Global adiabaticity and non-Gaussianity consistency condition
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...
Physics on the adiabatically changed Finslerian manifold and cosmology
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...
Interplay between electric and magnetic effect in adiabatic polaritonic systems
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.
Taioli, Simone; Garberoglio, Giovanni; Simonucci, Stefano; a Beccara, Silvio; Aversa, Lucrezia; Nardi, Marco; Verucchi, Roberto; Iannotta, Salvatore; Dapor, Maurizio; Alfè, Dario
2013-01-28
In this work, we investigate the processes leading to the room-temperature growth of silicon carbide thin films by supersonic molecular beam epitaxy technique. We present experimental data showing that the collision of fullerene on a silicon surface induces strong chemical-physical perturbations and, for sufficient velocity, disruption of molecular bonds, and cage breaking with formation of nanostructures with different stoichiometric character. We show that in these out-of-equilibrium conditions, it is necessary to go beyond the standard implementations of density functional theory, as ab initio methods based on the Born-Oppenheimer approximation fail to capture the excited-state dynamics. In particular, we analyse the Si-C(60) collision within the non-adiabatic nuclear dynamics framework, where stochastic hops occur between adiabatic surfaces calculated with time-dependent density functional theory. This theoretical description of the C(60) impact on the Si surface is in good agreement with our experimental findings.
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.
Adiabaticity and gravity theory independent conservation laws for cosmological perturbations
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\
Adiabatic Quantum Computation is Equivalent to Standard Quantum Computation
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...
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.
Semiclassical approximations for adiabatic slow-fast systems
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.
Classical molecular dynamics simulation of electronically non-adiabatic processes.
Miller, William H; Cotton, Stephen J
2016-12-22
Both classical and quantum mechanics (as well as hybrids thereof, i.e., semiclassical approaches) find widespread use in simulating dynamical processes in molecular systems. For large chemical systems, however, which involve potential energy surfaces (PES) of general/arbitrary form, it is usually the case that only classical molecular dynamics (MD) approaches are feasible, and their use is thus ubiquitous nowadays, at least for chemical processes involving dynamics on a single PES (i.e., within a single Born-Oppenheimer electronic state). This paper reviews recent developments in an approach which extends standard classical MD methods to the treatment of electronically non-adiabatic processes, i.e., those that involve transitions between different electronic states. The approach treats nuclear and electronic degrees of freedom (DOF) equivalently (i.e., by classical mechanics, thereby retaining the simplicity of standard MD), and provides "quantization" of the electronic states through a symmetrical quasi-classical (SQC) windowing model. The approach is seen to be capable of treating extreme regimes of strong and weak coupling between the electronic states, as well as accurately describing coherence effects in the electronic DOF (including the de-coherence of such effects caused by coupling to the nuclear DOF). A survey of recent applications is presented to illustrate the performance of the approach. Also described is a newly developed variation on the original SQC model (found universally superior to the original) and a general extension of the SQC model to obtain the full electronic density matrix (at no additional cost/complexity).
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...
Global adiabaticity and non-Gaussianity consistency condition
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.
Global adiabaticity and non-Gaussianity consistency condition
Directory of Open Access Journals (Sweden)
Antonio Enea Romano
2016-10-01
Full Text Available 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−cw2δρ 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.
Adiabatic hyperspherical approach to large-scale nuclear dynamics
Suzuki, Yasuyuki
2015-01-01
We formulate a fully microscopic approach to large-scale nuclear dynamics using a hyperradius as a collective coordinate. An adiabatic potential is defined by taking account of all possible configurations at a fixed hyperradius, and its hyperradius dependence plays a key role in governing the global nuclear motion. In order to go to larger systems beyond few-body systems, we suggest basis functions of a microscopic multicluster model, propose a method for calculating matrix elements of an adiabatic Hamiltonian with use of Fourier transforms, and test its effectiveness.
Nanoscale resolution for fluorescence microscopy via adiabatic passage
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.
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.
How to Make the Quantum Adiabatic Algorithm Fail
Farhi, E; Gutmann, S; Nagaj, D; Farhi, Edward; Goldstone, Jeffrey; Gutmann, Sam; Nagaj, Daniel
2005-01-01
The quantum adiabatic algorithm is a Hamiltonian based quantum algorithm designed to find the minimum of a classical cost function whose domain has size N. We show that poor choices for the Hamiltonian can guarantee that the algorithm will not find the minimum if the run time grows more slowly than square root of N. These poor choices are nonlocal and wash out any structure in the cost function to be minimized and the best that can be hoped for is Grover speedup. These failures tell us what not to do when designing quantum adiabatic algorithms.
Institute of Scientific and Technical Information of China (English)
越皓; 肖治国; 王恩鹏; 陈焕文; 张兴磊; 贾滨; 刘淑莹
2011-01-01
采用新型表面解吸常压化学电离(Surface Desorption Atmospheric Pressure Chemical Ionization,SDAPCI)质谱法,在敞开环境下,对潮湿的空气进行电晕放电产生试剂离子,进而在六味地黄丸表面发生解吸电离过程,在无需复杂预处理的前提下对六味地黄丸中的待测物进行离子化,从而获得了六味地黄丸在正负离子模式下的化学指纹图谱,并利用主成分分析法对质谱指纹数据进行处理,可对6个厂家生产的多个批次产品进行较好的区分.结果表明,SDAPCI-MS技术能够快速测定六味地黄丸的剂型和生产厂家信息,并能够对目标组分做多级串联质谱鉴定,发现痕量目标组分.研究方法可望应用于中成药药品生产质量控制和成品检测等领域.%A surface desorption atomospheric pressure chemical ionization mass spectrometry (SDAPCI-MS) method was developed to obtain the fingerprint of Liuwei Dihuang pills (LDP) with minimal sample pre-treatment.In the open environment, humid air was corona discharged to produce reagent ions for desorption ionization of the analytes on the surface of the LDPs.Then the analyte ions were guided into the ion trap mass analyzer of the LTQ instrument for mass analysis.Identification of the components of interests such as gallic acid, paeonol and ursolic acid in Liuwei Dihuang pills were demonstrated by tandem mass spectrometry (MS/MS).Principal component analysis (PCA) of the mass spectral fingerprint data was used to differentiate the samples from four manufacturers.The results show that this method is a useful analytical tool for quality control in pharmaceutical industry, particularly for the traditional Chinese medicine production.
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.
Ionization photophysics and Rydberg spectroscopy of diacetylene
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.
Energy Technology Data Exchange (ETDEWEB)
Kertesz, Vilmos [ORNL; Van Berkel, Gary J [ORNL
2010-01-01
In this work, a commercially available autosampler was adapted to perform direct liquid microjunction (LMJ) surface sampling followed by a high-pressure liquid chromatography (HPLC) separation of the extract components and detection with electrospray ionization mass spectrometry (ESI-MS). To illustrate the utility of coupling a separation with this direct liquid extraction based surface sampling approach, four different organs (brain, lung, kidney, and liver) from whole-body thin tissue sections of propranolol dosed and control mice were examined. The parent drug was observed in the chromatograms of the surface sampling extracts from all the organs of the dosed mouse examined. In addition, two isomeric phase II metabolites of propranolol (an aliphatic and an aromatic hydroxypropranolol glucuronide) were observed in the chromatograms of the extracts from lung, kidney, and liver. Confirming the presence of one or the other or both of these glucuronides in the extract from the various organs was not possible without the separation. These drug and metabolite data obtained using the LMJ surface sampling/HPLC-MS method and the results achieved by analyzing similar samples by conventional extraction of the tissues and subsequent HPLC-MS analysis were consistent.
Adiabatic frequency conversion with a sign flip in the coupling
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.
On Models of Nonlinear Evolution Paths in Adiabatic Quantum Algorithms
Institute of Scientific and Technical Information of China (English)
SUN Jie; LU Song-Feng; Samuel L.Braunstein
2013-01-01
In this paper,we study two different nonlinear interpolating paths in adiabatic evolution algorithms for solving a particular class of quantum search problems where both the initial and final Hamiltonian are one-dimensional projector Hamiltonians on the corresponding ground state.If the overlap between the initial state and final state of the quantum system is not equal to zero,both of these models can provide a constant time speedup over the usual adiabatic algorithms by increasing some another corresponding "complexity".But when the initial state has a zero overlap with the solution state in the problem,the second model leads to an infinite time complexity of the algorithm for whatever interpolating functions being applied while the first one can still provide a constant running time.However,inspired by a related reference,a variant of the first model can be constructed which also fails for the problem when the overlap is exactly equal to zero if we want to make up the "intrinsic" fault of the second model — an increase in energy.Two concrete theorems are given to serve as explanations why neither of these two models can improve the usual adiabatic evolution algorithms for the phenomenon above.These just tell us what should be noted when using certain nonlinear evolution paths in adiabatic quantum algorithms for some special kind of problems.
A Kinetic Study of the Adiabatic Polymerization of Acrylamide.
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)
Flat FRW Cosmologies with Adiabatic Matter Creation Kinematic tests
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.
Digitized adiabatic quantum computing with a superconducting circuit
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.
Perturbation to Noether Symmetries and Adiabatic Invariants for Birkhoffian Systems
Directory of Open Access Journals (Sweden)
Yi Zhang
2015-01-01
Full Text Available Based on El-Nabulsi dynamical model for a non-conservative system, the problem of perturbation to Noether symmetries and adiabatic invariants of a Birkhoffian system under the action of a small disturbance is proposed and studied. Firstly, the El-Nabulsi-Pfaff variational problem from extended exponentially fractional integral is presented and the El-Nabulsi-Birkhoff equations are established. Secondly, the definitions and the criterions criteria of the Noether symmetric transformations and quasisymmetric transformations of the Birkhoffian system are given, and the Noether theorems of the system are established, which reveal the inner relationship between the Noether symmetries and the conserved quantities. Thirdly, the perturbation of Noether symmetries under a small disturbance is studied, and corresponding adiabatic invariants are obtained. As special cases, the deductions in nonconservative Hamiltonian system and nonconservative Lagrangian system and standard Birkhoffian system are given. At the end of the paper, the case known as Hojman-Urrutia problem is discussed to investigate the Noether symmetries and the adiabatic invariants, the perturbation to Noether symmetries and the adiabatic invariants under El-Nabulsi dynamical model.
Fast Quasi-Adiabatic Gas Cooling: An Experiment Revisited
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.…
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...
Appearance of gauge fields and forces beyond the adiabatic approximation
Energy Technology Data Exchange (ETDEWEB)
Gosselin, Pierre [Institut Fourier, UMR 5582 CNRS-UJF, UFR de Mathematiques, Universite Grenoble I, BP74, 38402 Saint Martin d' Heres, Cedex (France); Mohrbach, Herve, E-mail: mohrbach@univ-metz.f [Laboratoire de Physique Moleculaire et des Collisions, ICPMB-FR CNRS 2843, Universite Paul Verlaine-Metz, 57078 Metz Cedex 3 (France)
2010-09-03
We investigate the origin of quantum geometric phases, gauge fields and forces beyond the adiabatic regime. In particular, we extend the notions of geometric magnetic and electric forces discovered in studies of the Born-Oppenheimer approximation to arbitrary quantum systems described by matrix-valued quantum Hamiltonians. The results are illustrated by several physical relevant examples.
Dark Energy and Dark Matter from an additional adiabatic fluid
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...
Dark energy and dark matter from an additional adiabatic fluid
Dunsby, Peter K. S.; Luongo, Orlando; Reverberi, Lorenzo
2016-10-01
The dark sector is described by an additional barotropic fluid which evolves adiabatically during the Universe's history and whose adiabatic exponent γ is derived from the standard definitions of specific heats. Although in general γ is a function of the redshift, the Hubble parameter and its derivatives, we find that our assumptions lead necessarily to solutions with γ =constant in a Friedmann-Lemaître-Robertson-Walker universe. The adiabatic fluid acts effectively as the sum of two distinct components, one evolving like nonrelativistic 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 Λ CDM model is included in this family of theories when γ =0 . We fit our model to supernovae Ia, H (z ) and baryonic acoustic oscillation data, discussing the model selection criteria. The implications for the early Universe and the growth of small perturbations in this model are also discussed.
Digitized adiabatic quantum computing with a superconducting circuit.
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
2016-06-09
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.
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.
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.
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.
Energy Technology Data Exchange (ETDEWEB)
Bednarek, D.R.; Rudin, S.
2000-03-01
A custom-built graphite-coated transmission ionization chamber is compared to the VacuDAP 2001 (VacuTec, Dresden, Germany), which has transparent conductive electrodes. A study was made of the dependence of response on x-ray tube potential for both types of chamber under identical conditions of exposure using over-table and under-table x-ray tubes. Since the calibration factor is the dose-area product of the radiation incident on the patient per chamber reading, it depends on the intrinsic response of the chamber as well as the effect of material in the beam between the x-ray tube and patient. Differences of about 20% were measured between the intrinsic and the over-table calibration factors and between the over-table and the under-table calibration factors for both chambers. The VacuDAP display is specifically calibrated for the over-table condition and would overstate the actual DAP in the under-table case. The intrinsic response of the graphite chamber is nearly independent of tube potential. Although the variation of response with tube potential of the graphite chamber is increased when it is used as an over-table and an under-table patient monitor, it shows less overall variation of response than the VacuDAP. The average deviation of each range of 40 to 140 kVp for both chambers.
High-Temperature Ionization in Protoplanetary Disks
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...
Infrared laser desorption/ionization on silicon.
Bhattacharya, Sucharita H; Raiford, Timothy J; Murray, Kermit K
2002-05-01
Laser desorption/ionization from a single-crystal silicon surface was performed using a laser operating in the 3-microm region of the mid-infrared. Analyte molecules up to 6 kDa were ionized with no added matrix. As with ultraviolet desorption/ionization from porous silicon (DIOS), IR laser desorption from silicon does not produce matrix ions that can interfere with analysis of low-mass analytes. However, in contrast to UV DIOS, silicon porosity or roughness is not required for ionization using an IR laser. Mass spectra were obtained in the wavelength range between 2.8 and 3.5 microm, which is consistent with energy absorption by a hydrogen-bonded OH group. A mechanism based on desorption of adsorbed solvent molecules is postulated.
Time-dependent density functional theory for strong-field ionization by circularly polarized pulses
Chirilă, Ciprian C.; Lein, Manfred
2017-03-01
By applying time-dependent density functional theory to a two-dimensional multielectron atom subject to strong circularly polarized light pulses, we confirm that the ionization of p orbitals with defined angular momentum depends on the sense of rotation of the applied field. A simple ad-hoc modification of the adiabatic local-density exchange-correlation functional is proposed to remedy its unphysical behavior under orbital depletion.
Institute of Scientific and Technical Information of China (English)
ZHANG Ming-Jiang; FANG Jian-Hui; LU Kai
2009-01-01
Based on the concept of adiabatic invariant, the perturbation to Noether-Mei symmetry and adiabatic invariants for nonholonomic mechanical systems in phase space are studied. The definition of the perturbation to Noether-Mei symmetry for the system is presented, and the criterion of the perturbation to Noether-Mei symmetry is given. Meanwhile, the Noether adiabatic invariants and the Mei adiabatic invariants for the perturbed system are obtained.
Zero-point energy, tunneling, and vibrational adiabaticity in the Mu + H2 reaction
Energy Technology Data Exchange (ETDEWEB)
Mielke, Steven L.; Garrett, Bruce C.; Fleming, Donald G.; Truhlar, Donald G.
2015-01-09
Abstract: Isotopic substitution of muonium for hydrogen provides an unparalleled opportunity to deepen our understanding of quantum mass effects on chemical reactions. A recent topical review [Aldegunde et al., Mol. Phys. 111, 3169 (2013)] of the thermal and vibrationally-stateselected reaction of Mu with H2 raises a number of issues that are addressed here. We show that some earlier quantum mechanical calculations of the Mu + H2 reaction, which are highlighted in this review and which have been used to benchmark approximate methods, are in error by as much as 19% in the low-temperature limit. We demonstrate that an approximate treatment of the Born–Oppenheimer diagonal correction that was used in some recent studies is not valid for treating the vibrationally-state-selected reaction. We also discuss why vibrationally adiabatic potentials that neglect bend zero-point energy are not a useful analytical tool for understanding reaction rates and why vibrationally nonadiabatic transitions cannot be understood by considering tunneling through vibrationally adiabatic potentials. Finally, we present calculations on a hierarchical family of potential energy surfaces to assess the sensitivity of rate constants to the quality of the potential surface.
Theory of warm ionized gases: equation of state and kinetic Schottky anomaly
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.
Theory of warm ionized gases: equation of state and kinetic Schottky anomaly.
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.
Ionization photophysics and spectroscopy of dicyanoacetylene
Energy Technology Data Exchange (ETDEWEB)
Leach, Sydney, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Champion, Norbert [LERMA UMR CNRS 8112, Observatoire de Paris-Meudon, 5 place Jules-Jansen, 92195 Meudon (France); Schwell, Martin, E-mail: Sydney.Leach@obspm.fr, E-mail: Martin.Schwell@lisa.u-pec.fr; Bénilan, Yves; Fray, Nicolas; Gazeau, Marie-Claire [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); Garcia, Gustavo A.; Gaie-Levrel, François [Synchrotron SOLEIL, L’Orme des Merisiers, St. Aubin, B.P. 48, 91192 Gif-sur-Yvette Cedex (France); Guillemin, Jean-Claude [Institut des Sciences Chimiques de Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7 (France)
2013-11-14
Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A{sup 2}Π{sub g}, B{sup 2}Σ{sub g}{sup +} states as well as the C{sup 2}Σ{sub u}{sup +} and D{sup 2}Π{sub u} states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D{sup 2}Π{sub u} state of C{sub 4}N{sub 2}{sup +}. The appearance energies of the fragment ions C{sub 4}N{sup +}, C{sub 3}N{sup +}, C{sub 4}{sup +}, C{sub 2}N{sup +}, and C{sub 2}{sup +} were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways.
Perturbation and Adiabatic Invariants of Mei Symmetry for Nonholonomic Mechanical Systems
Institute of Scientific and Technical Information of China (English)
DING Ning; FANG Jian-Hui; WANG Peng
2007-01-01
Based on the concept of adiabatic invariant,the perturbation and adiabatic invariants of the Mei symmetry for nonholonomic mechanical systems are studied.The exact invariants of the Mei symmetry for the system without perturbation are given,The perturbation to the Mei symmetry is discussed and the adiabatic invariants of the Mei symmetry for the perturbed system are obtained.
Perturbation to Lie Symmetry and Lutzky Adiabatic Invariants for Lagrange Systems
Institute of Scientific and Technical Information of China (English)
REN Ji-Rong; DING Ning; LI Ran; FANG Jian-Hui; DUAN Yi-Shi; WANG Peng; ZHANG Xiao-Ni
2008-01-01
Based on the concept of adiabatic invariant, perturbation to Lie symmetry and Lutzky adiabatic invariants for Lagrange systems are studied by using different methods from those of previous works. Exact invariants induced from Lie symmetry of the system without perturbation are given. Perturbation to Lie symmetry is discussed and Lutzky adiabatic invariants of the system subject to perturbation are obtained.
Abnormal ionization in sonoluminescence
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).
Gerbig, Stefanie; Stern, Gerold; Brunn, Hubertus E; Düring, Rolf-Alexander; Spengler, Bernhard; Schulz, Sabine
2017-03-01
Direct analysis of fruit and vegetable surfaces is an important tool for in situ detection of food contaminants such as pesticides. We tested three different ways to prepare samples for the qualitative desorption electrospray ionization mass spectrometry (DESI-MS) analysis of 32 pesticides found on nine authentic fruits collected from food control. Best recovery rates for topically applied pesticides (88%) were found by analyzing the surface of a glass slide which had been rubbed against the surface of the food. Pesticide concentration in all samples was at or below the maximum residue level allowed. In addition to the high sensitivity of the method for qualitative analysis, quantitative or, at least, semi-quantitative information is needed in food control. We developed a DESI-MS method for the simultaneous determination of linear calibration curves of multiple pesticides of the same chemical class using normalization to one internal standard (ISTD). The method was first optimized for food extracts and subsequently evaluated for the quantification of pesticides in three authentic food extracts. Next, pesticides and the ISTD were applied directly onto food surfaces, and the corresponding calibration curves were obtained. The determination of linear calibration curves was still feasible, as demonstrated for three different food surfaces. This proof-of-principle method was used to simultaneously quantify two pesticides on an authentic sample, showing that the method developed could serve as a fast and simple preselective tool for disclosure of pesticide regulation violations. Graphical Abstract Multiple pesticide residues were detected and quantified in-situ from an authentic set of food items and extracts in a proof of principle study.
Energy Technology Data Exchange (ETDEWEB)
Blatherwick, Eleanor Q. [University of Warwick, UK; Van Berkel, Gary J [ORNL; Pickup, Kathryn [AstraZeneca R& D Sweden; Johansson, Maria K. [AstraZeneca R& D Sweden; Beaudoin, Marie-Eve [AstraZeneca, USA; Cole, Roderic [ORNL; Day, Jennifer M. [AstraZeneca R& D, UK; Iverson, Suzanne [AstraZeneca R& D Sweden; Wilson, Ian D. [AstraZeneca R& D, UK; Scrivens, James H. [University of Warwick, UK; Weston, Daniel J. [AstraZeneca R& D, UK
2011-01-01
1. Tissue distribution studies of drug molecules play an essential role in the pharmaceutical industry and are commonly undertaken using quantitative whole body autoradiography (QWBA) methods. 2. The growing need for complementary methods to address some scientific gaps around radiography methods has led to increased use of mass spectrometric imaging (MSI) technology over the last 5 to 10 years. More recently, the development of novel mass spectrometric techniques for ambient surface sampling has redefined what can be regarded as fit-for-purpose for MSI in a drug metabolism and disposition arena. 3. Together with a review of these novel alternatives, this paper details the use of two liquid microjunction (LMJ)- based mass spectrometric surface sampling technologies. These approaches are used to provide qualitative determination of parent drug in rat liver tissue slices using liquid extraction surface analysis (LESA) and to assess the performance of a LMJ surface sampling probe (LMJ-SSP) interface for quantitative assessment of parent drug in brain, liver and muscle tissue slices. 4. An assessment of the utility of these spatially-resolved sampling methods is given, showing interdependence between mass spectrometric and QWBA methods, in particular there emerges a reason to question typical MSI workflows for drug metabolism; suggesting the expedient use of profile or region analysis may be more appropriate, rather than generating time-intensive molecular images of the entire tissue section.
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
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
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.
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.
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...
Adiabatic theory of solitons fed by dispersive waves
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.
Stellar oscillations. II The non-adiabatic case
Samadi, R; Sonoi, T
2015-01-01
A leap forward has been performed due to the space-borne missions, MOST, CoRoT and Kepler. They provided a wealth of observational data, and more precisely oscillation spectra, which have been (and are still) exploited to infer the internal structure of stars. While an adiabatic approach is often sufficient to get information on the stellar equilibrium structures it is not sufficient to get a full understanding of the physics of the oscillation. Indeed, it does not permit one to answer some fundamental questions about the oscillations, such as: What are the physical mechanisms responsible for the pulsations inside stars? What determines the amplitudes? To what extent the adiabatic approximation is valid? All these questions can only be addressed by considering the energy exchanges between the oscillations and the surrounding medium. This lecture therefore aims at considering the energetical aspects of stellar pulsations with particular emphasis on the driving and damping mechanisms. To this end, the full non-...
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.
Multidimensional Study of High-Adiabat OMEGA Cryogenic Experiments
Collins, T. J. B.; Betti, R.; Bose, A.; Christopherson, A. R.; Knauer, J. P.; Marozas, J. A.; Maximov, A. V.; Mora, A.; Radha, P. B.; Shang, W.; Shvydky, A.; Stoeckl, C.; Woo, K. M.; Varchas, G.
2016-10-01
Despite recent advances in modeling laser direct-drive inertial confinement fusion (ICF) experiments, there remains a predictability gap. This is particularly shown by the shortfall in hot-spot pressures inferred from OMEGA cryogenic implosions. To address this, a series of high-adiabat, cryogenic implosions were performed on OMEGA. These shots were performed with and without single-beam smoothing by spectral dispersion, at low and high drive intensities. These shots represent a regime where good agreement with simulation is expected because of the high adiabat. Multidimensional simulations of these shots will be presented with an emphasis on comparison with experimental indicators of departure from spherical symmetry (``1-D-ness''). The roles of short- and long-wavelength perturbations are considered. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.
On some issues of gravitationally induced adiabatic particle productions
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.
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.
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.
Particle creation and non-adiabatic transitions in quantum cosmology
Massar, S
1998-01-01
The aim of this paper is to compute transitions amplitudes in quantum cosmology, and in particular pair creation amplitudes and radiative transitions. To this end, we apply a double adiabatic development to the solutions of the Wheeler-DeWitt equation restricted to mini-superspace wherein gravity is described by the scale factor $a$. The first development consists in working with instantaneous eigenstates, in $a$, of the matter Hamiltonian. The second development is applied to the gravitational part of the wave function and generalizes the usual WKB approximation. We then obtain an exact equation which replaces the Wheeler-DeWitt equation and determines the evolution, i.e. the dependence in $a$, of the coefficients of this double expansion. When working in the gravitational adiabatic approximation, the simplified equation delivers the unitary evolution of transition amplitudes occurring among instantaneous eigenstates. Upon abandoning this approximation, one finds that there is an additional coupling among ma...
Linear response of galactic halos to adiabatic gravitational perturbations
Murali, C; 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 fields from external sources are not strongly amplified by an intervening isothermal stellar system, except at radii can even screen the external tidal field in a manner analogous to Debye screening. As Weinberg has pointed out, individual resonances in a stellar system can strongly amplify external tidal fields over a limited radial range, but we cannot address this possibility because we examine only adiabatic perturbations. We also discuss the application of our method to the halo response caused by the slow growth of an em...
Confinement loss in adiabatic photonic crystal fiber tapers
Kuhlmey, Boris T.; Nguyen, Hong C.; Steel, M. J.; Eggleton, Benjamin J.
2006-09-01
We numerically study confinement loss in photonic crystal fiber (PCF) tapers and compare our results with previously published experimental data. Agreement between theory and experiment requires taking into account hole shrinkage during the tapering process, which we measure by using a noninvasive technique. We show that losses are fully explained within the adiabatic approximation and that they are closely linked to the existence of a fundamental core-mode cutoff. This cutoff is equivalent to the core-mode cutoff in depressed-cladding fibers, so that losses in PCF tapers can be obtained semiquantitatively from an equivalent depressed-cladding fiber model. Finally, we discuss the definition of adiabaticity in this open boundary problem.
Robust quantum logic in neutral atoms via adiabatic Rydberg dressing
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.
Adiabatic Evolution in XXX Spin Chain is Fast
Korepin, V
2004-01-01
Adiabatic theorem of quantum mechanics was used by E. Farhi, J. Goldstone, S. Gutmann and M. Sipser to design quantum algorithms of a new kind. A quantum computer evolves slowly enough, so that it remains in its instantaneous ground state, which tells the solution. We consider XXX Heisenberg spin chain. We rotate magnetic field and change its magnitude. The ground state evolves from a ferromagnetic one into a nontrivial ground state of XXX anti-ferromagnet. This adiabatic evolution goes very gently. Because of SU(2) symmetry and integrability only one mode get exited. We prove that the time of the evolution scales as a square root of number of qubits. This is faster then other known examples.
Xu, Kebiao; Xie, Tianyu; Li, Zhaokai; Xu, Xiangkun; Wang, Mengqi; Ye, Xiangyu; Kong, Fei; Geng, Jianpei; Duan, Changkui; Shi, Fazhan; Du, Jiangfeng
2017-03-31
The adiabatic quantum computation is a universal and robust method of quantum computing. In this architecture, the problem can be solved by adiabatically evolving the quantum processor from the ground state of a simple initial Hamiltonian to that of a final one, which encodes the solution of the problem. Adiabatic quantum computation has been proved to be a compatible candidate for scalable quantum computation. In this Letter, we report on the experimental realization of an adiabatic quantum algorithm on a single solid spin system under ambient conditions. All elements of adiabatic quantum computation, including initial state preparation, adiabatic evolution (simulated by optimal control), and final state read-out, are realized experimentally. As an example, we found the ground state of the problem Hamiltonian S_{z}I_{z} on our adiabatic quantum processor, which can be mapped to the factorization of 35 into its prime factors 5 and 7.
Quantum state preparation in semiconductor dots by adiabatic rapid passage
Wu, Yanwen; Piper, I.M.; Ediger, M.; Brereton, P.; Schmidgall, E. R.; Hugues, M.; Hopkinson, M.; Phillips, R.T.
2010-01-01
Preparation of a specific quantum state is a required step for a variety of proposed practical uses of quantum dynamics. We report an experimental demonstration of optical quantum state preparation in a semiconductor quantum dot with electrical readout, which contrasts with earlier work based on Rabi flopping in that the method is robust with respect to variation in the optical coupling. We use adiabatic rapid passage, which is capable of inverting single dots to a specified upper level. We d...
Adiabatic Shear Bands in Simple and Dipolar Viscoplastic Materials
1991-08-01
shear banding, especially from a materials point oi *iew Experimental studies dealing with adiabatic .hear Danding mciude those of Zener and Hollomon...and especially in the region surrounding the center of the block, alters. The nonhomogeneity of the deformation near the corners is now evident...describe ehe work-hardening of the material and accounts approxi- mately for the history of ehe deformation. The rate of evolucion of 4> is assumed
High-Fidelity Entangled Bell States via Shortcuts to Adiabaticity
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.
Adiabatic pipelining: a key to ternary computing with quantum dots.
Pečar, P; Ramšak, A; Zimic, N; Mraz, M; Lebar Bajec, I
2008-12-10
The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.
Characterization of Adiabatic Noise in Charge-Based Coherent Nanodevices
D'Arrigo, A.; Falci, G.; Mastellone, A.; Paladino, E.
2008-10-01
Low-frequency noise, often with 1/f spectrum, has been recognized as the main mechanism of decoherence in present-day solid state coherent nanodevices. The responsible degrees of freedom are almost static during the coherent time evolution of the device leading to effects analogous to inhomogeneous broadening in NMR. Here we present a characterization of the effects of adiabatic noise exploiting the tunability of nanodevices.
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.
Adiabatic Compression Sensitivity of AF-M315E
2015-07-01
is pressurized to specific driving pressures into an accumulator tank above a rapid-opening valve. This valve is placed directly above the burst disc...this mission. Of particular interest is the sensitivity of the propellant at elevated temperatures and the resulting system peak pressures and...dynamic response characteristics. For this study, an adiabatic compression U-tube apparatus was used to determine the driving pressure threshold levels
Mapping the region of instability for adiabatic continuation method
GUTIÉRREZHERNANDEZ, JUAN PABLO; Fontalvo Alzate, Javier; Gómez García, Miguel Ángel
2011-01-01
The pioneer schematic ideas of Kimura and Levenspiel (Ind. Eng. Chem. Proc. Des. Dev., 16 (1977) 145 – 148) have been developed to find numerically the region of instability for adiabatic packed bed reactors. Three different cases of special industrial interest and complexity are presented. The highly exothermic gas-phase reactions: ammonia synthesis, methanol production from syn-gas, and SO₂ oxidation. Equations were parameterized and solved according to a continuation homotopy numerical met...
Hypercomputability of quantum adiabatic processes: Fact versus Prejudices
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.
Excitation energies along a range-separated adiabatic connection
Energy Technology Data Exchange (ETDEWEB)
Rebolini, Elisa, E-mail: rebolini@lct.jussieu.fr; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr; Savin, Andreas, E-mail: savin@lct.jussieu.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); Teale, Andrew M. [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom); Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo (Norway); Helgaker, Trygve [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo (Norway)
2014-07-28
We present a study of the variation of total energies and excitation energies along a range-separated adiabatic connection. This connection links the non-interacting Kohn–Sham electronic system to the physical interacting system by progressively switching on the electron–electron interactions whilst simultaneously adjusting a one-electron effective potential so as to keep the ground-state density constant. The interactions are introduced in a range-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 the interactions are introduced by globally scaling the standard Coulomb interaction. Reference data are reported for the He and Be atoms and the H{sub 2} molecule, obtained by calculating the short-range effective potential at the full configuration-interaction level using Lieb's Legendre-transform approach. As the strength of the electron–electron interactions increases, the excitation energies, calculated for the partially interacting systems along the adiabatic connection, offer increasingly accurate approximations to the exact excitation energies. Importantly, the excitation energies calculated at an intermediate point of the adiabatic connection are much better approximations to the exact excitation energies than are the corresponding Kohn–Sham excitation energies. This is particularly evident in situations involving strong static correlation effects and states with multiple excitation character, such as the dissociating H{sub 2} molecule. These results highlight the utility of long-range interacting reference systems as a starting point for the calculation of excitation energies and are of interest for developing and analyzing practical approximate range-separated density-functional methodologies.
A field theory characterization of interacting adiabatic particles in cosmology
Arteaga, Daniel
2008-01-01
We explore the adiabatic particle excitations of an interacting field in a cosmological background. By following the time-evolution of the quantum state corresponding to the particle excitation, we show how the basic properties characterizing the particle propagation can be recovered from the two-point propagators. As an application, we study the background-induced dissipative effects on the propagation of a two-level atom in an expanding universe.
A field theory characterization of interacting adiabatic particles in cosmology
Energy Technology Data Exchange (ETDEWEB)
Arteaga, Daniel [Departament de Fisica Fonamental and Institut de Ciencies del Cosmos, Facultat de Fisica, Universitat de Barcelona, Av. Diagonal 647, 08028 Barcelona (Spain)], E-mail: darteaga@ub.edu
2008-08-07
We explore the adiabatic particle excitations of an interacting field in a cosmological background. By following the time evolution of the quantum state corresponding to the particle excitation, we show how the basic properties characterizing the particle propagation can be recovered from the two-point propagators. As an application, we study the background-induced dissipative effects on the propagation of a two-level atom in an expanding universe.
Adiabatic embedment of nanomechanical resonators in photonic microring cavities
Xiong, Chi; Li, Mo; Rooks, Michael; Tang, Hong X
2014-01-01
We report a circuit cavity optomechanical system in which a nanomechanical resonator is adiabatically embedded inside an optical ring resonator with ultralow transition loss. The nanomechanical device forms part of the top layer of a horizontal silicon slot ring resonator, which enables dispersive coupling to the dielectric substrate via a tapered nanogap. Our measurements show nearly uncompromised optical quality factors (Q) after the release of the mechanical beam.
Stimulated Raman adiabatic passage in physics, chemistry and beyond
Nikolay V. Vitanov; Rangelov, Andon A.; Shore, Bruce W.; Bergmann, Klaas
2016-01-01
The technique of stimulated Raman adiabatic passage (STIRAP), which allows efficient and selective population transfer between quantum states without suffering loss due to spontaneous emission, was introduced in 1990 (Gaubatz \\emph{et al.}, J. Chem. Phys. \\textbf{92}, 5363, 1990). Since then STIRAP has emerged as an enabling methodology with widespread successful applications in many fields of physics, chemistry and beyond. This article reviews the many applications of STIRAP emphasizing the ...
Suppression of repeated adiabatic shear banding by dynamic large strain extrusion machining
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.
New empirical correlations for sizing adiabatic capillary tubes in refrigeration systems
Shodiya, S.; Aahar, A. A.; Henry, N.; Darus, A. N.
2012-06-01
This paper presents new empirical correlations that have been developed for sizing adiabatic capillary tubes used in small vapor compression refrigeration and air-conditioning systems. A numerical model which is based on the basic equations of conservation of mass, momentum and energy was developed. Colebrook's formulation was used to determine the single phase friction factor. The two-phase viscosity models - Cicchitti et al., Dukler et al. and McAdam et al. were used based on the recommendation from literature to determine the two-phase viscosity factor. The developed numerical model was validated using the experimental data from literature. The numerical model was used to study the effects of relevant parameters on capillary tube length and the results showed that the length of capillary tube increase with increase in condensing temperature, subcooling, and inner diameter of tube but decrease with increase in surface roughness and mass flow rate. Thereafter, empirical correlation of the capillary tube length with the five dependent variables was presented. The empirical models are validated using experimental data from literature. Different from the previous studies, the empirical models have a large set of refrigerants and wide operating conditions. The developed correlation can be used as an effective tool for sizing adiabatic capillary tube with system models working with alternative refrigerants.
Thermal reservoir sizing for adiabatic compressed air energy storage
Energy Technology Data Exchange (ETDEWEB)
Kere, Amelie; Goetz, Vincent; Py, Xavier; Olives, Regis; Sadiki, Najim [Perpignan Univ. (France). PROMES CNRS UPR 8521; Mercier-Allart, Eric [EDF R et D, Chatou (France)
2012-07-01
Despite the operation of the two existing industrial facilities to McIntosh (Alabama), and for more than thirty years, Huntorf (Germany), electricity storage in the form of compressed air in underground cavern (CAES) has not seen the development that was expected in the 80s. The efficiency of this form of storage was with the first generation CAES, less than 50%. The evolving context technique can significantly alter this situation. The new generation so-called Adiabatic CAES (A-CAES) is to retrieve the heat produced by the compression via thermal storage, thus eliminating the necessity of gas to burn and would allow consideration efficiency overall energy of the order of 70%. To date, there is no existing installation of A-CAES. Many studies describe the principal and the general working mode of storage systems by adiabatic compression of air. So, efficiencies of different configurations of adiabatic compression process were analyzed. The aim of this paper is to simulate and analyze the performances of a thermal storage reservoir integrated in the system and adapted to the working conditions of a CAES.
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.
Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning
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.
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.
Non-adiabatic oscillations of compact stars in general relativity
Gualtieri, L; Miniutti, G
2004-01-01
We have developed a formalism to study non-adiabatic, non-radial oscillations of compact stars in the frequency domain including the effects of thermal diffusion in a general relativistic framework. When a general equation of state depending on temperature is used, the perturbations of the fluid result in heat flux which is coupled with the spacetime geometry through the Einstein field equations. Our results show that the frequency of the first pressure (p) and gravity (g) oscillation modes is significantly affected by thermal diffusion, while that of the fundamental (f) mode is basically unaltered due to the global nature of that oscillation. The damping time of the oscillations is generally much smaller than in the adiabatic case (more than two orders of magnitude for the p- and g-modes) reflecting the effect of thermal dissipation. Both the isothermal and adiabatic limits are recovered in our treatment and we study in more detail the intermediate regime. Our formalism finds its natural astrophysical applic...
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.
Adiabatic invariants for the regular region of the Dicke model
Bastarrachea-Magnani, M. A.; Relaño, A.; Lerma-Hernández, S.; López-del-Carpio, B.; Chávez-Carlos, J.; Hirsch, J. G.
2017-04-01
Adiabatic invariants for the non-integrable Dicke model are introduced. They are shown to provide approximate second integrals of motion in the energy region where the system exhibits a regular dynamics. This low-energy region, present for any set of values of the Hamiltonian parameters is described both with a semiclassical and a full quantum analysis in a broad region of the parameter space. Peres lattices in this region exhibit that many observables vary smoothly with energy, along distinct lines which beg for a formal description. It is demonstrated how the adiabatic invariants provide a rationale to their presence in many cases. They are built employing the Born–Oppenheimer approximation, valid when a fast system is coupled to a much slower one. As the Dicke model has one bosonic and one fermionic degree of freedom, two versions of the approximation are used, depending on which one is the faster. In both cases a noticeably accord with exact numerical results is obtained. The employment of the adiabatic invariants provides a simple and clear theoretical framework to study the physical phenomenology associated to these regimes, far beyond the energies where a quadratic approximation around the minimal energy configuration can be used.
Numerical study of polaron problem in the adiabatic limit
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)
Quantum Adiabatic Algorithms, Small Gaps, and Different Paths
Farhi, Edward; Gosset, David; Gutmann, Sam; Meyer, Harvey B; Shor, Peter
2011-01-01
We construct a set of instances of 3SAT which are not solved efficiently using the simplest quantum adiabatic algorithm. These instances are obtained by picking random clauses all consistent with two disparate planted solutions and then penalizing one of them with a single additional clause. We argue that by randomly modifying the beginning Hamiltonian, one obtains (with substantial probability) an adiabatic path that removes this difficulty. This suggests that the quantum adiabatic algorithm should in general be run on each instance with many different random paths leading to the problem Hamiltonian. We do not know whether this trick will help for a random instance of 3SAT (as opposed to an instance from the particular set we consider), especially if the instance has an exponential number of disparate assignments that violate few clauses. We use a continuous imaginary time Quantum Monte Carlo algorithm in a novel way to numerically investigate the ground state as well as the first excited state of our system...
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.
Salt Tolerance of Desorption Electrospray Ionization (DESI)
Energy Technology Data Exchange (ETDEWEB)
Jackson, Ayanna U. [Purdue University; Talaty, Nari [Purdue University; Cooks, R G [Purdue University; Van Berkel, Gary J [ORNL
2007-01-01
Suppression of ion intensity in the presence of high salt matrices is common in most mass spectrometry ionization techniques. Desorption electrospray ionization (DESI) is an ionization method that exhibits salt tolerance, and this is investigated. DESI analysis was performed on three different drug mixtures in the presence of 0, 0.2, 2, 5, 10, and 20% NaCl:KCl weight by volume from seven different surfaces. At physiological concentrations individual drugs in each mixture were observed with each surface. Collision-induced dissociation (CID) was used to provide additional confirmation for select compounds. Multiple stage experiments, to MS5, were performed for select compounds. Even in the absence of added salt, the benzodiazepine containing mixture yielded sodium and potassium adducts of carbamazepine which masked the ions of interest. These adducts were eliminated by adding 0.1% 7M ammonium acetate to the standard methanol:water (1:1) spray solvent. Comparison of the salt tolerance of DESI with that of electrospray ionization (ESI) demonstrated much better signal/noise characteristics for DESI in this study. The salt tolerance of DESI was also studied by performing limit of detection and dynamic range experiments. Even at a salt concentration significantly above physiological concentrations, select surfaces were effective in providing spectra that allowed the ready identification of the compounds of interest. The already high salt tolerance of DESI can be optimized further by appropriate choices of surface and spray solution.
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.
Nedveckaite, T; Gudelis, A; Vives i Batlle, J
2013-05-01
This work describes the radiological assessment of the near-surface Maisiagala radioactive waste repository (Lithuania) over the period 2005-2012, with focus on water pathways and special emphasis on tritium. The study includes an assessment of the effect of post-closure upgrading, the durability of which is greater than 30 years. Both human and terrestrial non-human biota are considered, with local low-intensity forestry and small farms being the area of concern. The radiological exposure was evaluated using the RESRAD-OFFSITE, RESRAD-BIOTA and ERICA codes in combination with long-term data from a dedicated environmental monitoring programme. All measurements were performed at the Lithuanian Institute of Physics as part of this project. It is determined that, after repository upgrading, radiological exposure to humans are significantly lower than the human dose constraint of 0.2 mSv/year valid in the Republic of Lithuania. Likewise, for non-human biota, dose rates are below the ERICA/PROTECT screening levels. The potential annual effective inhalation dose that could be incurred by the highest-exposed human individual (which is due to tritiated water vapour airborne release over the most exposed area) does not exceed 0.1 μSv. Tritium-labelled drinking water appears to be the main pathway for human impact, representing about 83 % of the exposure. Annual committed effective dose (CED) values for members of the public consuming birch sap as medical practice are calculated to be several orders of magnitude below the CEDs for the same location associated with drinking of well water. The data presented here indicate that upper soil-layer samples may not provide a good indication of potential exposure to terrestrial deep-rooted trees, as demonstrated by an investigation of stratified (3)H in soil moisture, expressed on a wet soil mass basis, in an area with subsurface contamination.
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.
Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions
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.
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.
Fowler-Nordheim emission modified by laser pulses in the adiabatic regime
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.
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.
Shortcuts to Adiabaticity by Counterdiabatic Driving in Trapped-ion Transport
An, Shuoming; del Campo, Adolfo; Kim, Kihwan
2016-01-01
Adiabatic dynamics plays an essential role in quantum technologies. By driving a quantum system slowly, the quantum evolution can be engineered with suppressed excitation. Yet, environmentally-induced decoherence limits the implementation of adiabatic protocols. Shortcuts to adiabaticity (STA) have the potential to revolutionize quantum technologies by speeding up the time evolution while mimicking adiabatic dynamics. These nonadiabatic protocols can be engineered by means an auxiliary control field is used to tailor excitations. Here we present the first experimental realization of counterdiabatic driving in a continuous variable system, implementing a shortcut to the adiabatic transport of a trapped ion, in which nonadiabatic transitions are suppressed during all stages of the process. The resulting dynamics is equivalent to a "fast-motion video" of the adiabatic trajectory. We experimentally demonstrate the enhanced robustness of the protocol with respect to alternative approaches based on classical local ...
Shortcuts to adiabaticity by counterdiabatic driving for trapped-ion displacement in phase space
An, Shuoming; Lv, Dingshun; Del Campo, Adolfo; Kim, Kihwan
2016-09-01
The application of adiabatic protocols in quantum technologies is severely limited by environmental sources of noise and decoherence. Shortcuts to adiabaticity by counterdiabatic driving constitute a powerful alternative that speed up time-evolution while mimicking adiabatic dynamics. Here we report the experimental implementation of counterdiabatic driving in a continuous variable system, a shortcut to the adiabatic transport of a trapped ion in phase space. The resulting dynamics is equivalent to a `fast-motion video' of the adiabatic trajectory. The robustness of this protocol is shown to surpass that of competing schemes based on classical local controls and Fourier optimization methods. Our results demonstrate that shortcuts to adiabaticity provide a robust speedup of quantum protocols of wide applicability in quantum technologies.
Adiabatic quantum computing with spin qubits hosted by molecules.
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.
Adiabatic quantum computation and quantum annealing theory and practice
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
Plasma heating via adiabatic magnetic compression-expansion cycle
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.
Adiabatic Passage of Collective Excitations in Atomic Ensembles
Institute of Scientific and Technical Information of China (English)
LIYong; MIAOYuan-Xiu; SUNChang-Pu
2004-01-01
We describe a theoretical scheme that allows for transfer of quantum states of atomic collective excitation between two macroscopic atomic ensembles localized in two spatially-separated domains. The conception is based on the occurrence of double-exciton dark states due to the collective destructive quantum interference of the emissions from the two atomic ensembles. With an adiabatically coherence manipulation for the atom-field couplings by stimulated Rmann scattering, the dark states will extrapolate from an exciton state of an ensemble to that of another. This realizes the transport of quantum information among atomic ensembles.
Adiabatic Passage of Collective Excitations in Atomic Ensembles
Institute of Scientific and Technical Information of China (English)
LI Yong; MIAO Yuan-Xiu; SUN Chang-Pu
2004-01-01
We describe a theoretical scheme that allows for transfer of quantum states of atomic collective excitation between two macroscopic atomic ensembles localized in two spatially-separated domains. The conception is based on the occurrence of double-exciton dark states due to the collective destructive quantum interference of the emissions from the two atomic ensembles. With an adiabatically coherence manipulation for the atom-field couplings by stimulated Ramann scattering, the dark states will extrapolate from an exciton state of an ensemble to that of another. This realizes the transport of quantum information among atomic ensembles.
Fast CNOT gate via shortcuts to adiabatic passage
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.
Adiabatic transport of qubits around a black hole
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.
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...
Power comparison of CMOS and adiabatic full adder circuit
Reddy, Sunil Gavaskar; 10.5121/vlsic.2011.2306
2011-01-01
Full adders are important components in applications such as digital signal processors (DSP) architectures and microprocessors. Apart from the basic addition adders also used in performing useful operations such as subtraction, multiplication, division, address calculation, etc. In most of these systems the adder lies in the critical path that determines the overall performance of the system. In this paper conventional complementary metal oxide semiconductor (CMOS) and adiabatic adder circuits are analyzed in terms of power and transistor count using 0.18UM technology.
Diabatic Versus Adiabatic Calculation of Torsion-Vibration Interactions
Hougen, Jon T.
2013-06-01
The introductory part of this talk will deal briefly with two historical topics: (i) use of the words adiabatic, nonadiabatic, and diabatic in thermodynamics and quantum mechanics, and (ii) application of diabatic and adiabatic ideas to vibrational energy level calculations for a pair of diatomic-molecule potential energy curves exhibiting an avoided crossing. The main part of the talk will be devoted to recent work with Li-Hong Xu and Ron Lees on how ab initio projected frequency calculations for small-amplitude vibrations along the large-amplitude internal rotation path in methanol can best be used to help guide experimental assignments and fits in the IR vibrational spectrum. The three CH stretching vibrations for CH_{3}OH can conveniently be represented as coefficients multiplying three different types of basis vibrations, i.e., as coefficients of: (i) the local mode C-H_i bond displacements δr_{i} for hydrogens H_{1}, H_{2} and H_{3} of the methyl top, (ii) symmetrized linear combinations of the three δr_{i} of species A_{1} oplus E in the permutation-inversion group G_{6} = C_{3v} appropriate for methanol, or (iii) symmetrized linear combinations of the three δr_{i} of species 2A_{1} oplus A_{2} in the permutation-inversion group G_{6}. In this talk, we will focus on diabatic and adiabatic computations for the A_{1} oplus E basis vibrations of case (ii) above. We will briefly explain how Jahn-Teller-like and Renner-Teller-like torsion-vibration interaction terms occurring in the potential energy expression in the diabatic calculation become torsion-vibration Coriolis interaction terms occurring in the kinetic energy expression of the adiabatic calculations, and also show how, for algebraically solvable parameter choices, the same energy levels are obtained from either calculation. A final conclusion as to which approach is computationally superior for the numerical data given in a quantum chemistry output file has not yet been arrived at.
Adiabatic regularization of power spectra in nonminimally coupled chaotic inflation
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.
Nonlinear effects generation in non-adiabatically tapered fibres
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.
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.)
Adiabatic regularisation of power spectra in nonminimally coupled chaotic inflation
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.
Metallization of Nanofilms in Strong Adiabatic Electric Fields
Durach, Maxim; Rusina, Anastasia; Kling, Matthias F.; Stockman, Mark I.
2010-08-01
We introduce an effect of metallization of dielectric nanofilms by strong, adiabatically varying electric fields. The metallization causes optical properties of a dielectric film to become similar to those of a plasmonic metal (strong absorption and negative permittivity at low optical frequencies). This is a quantum effect, which is exponentially size-dependent, occurring at fields on the order of 0.1V/Å and pulse durations ranging from ˜1fs to ˜10ns for a film thickness of 3-10 nm.
Analysis of interference in attosecond transient absorption in adiabatic condition
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.
From Classical Nonlinear Integrable Systems to Quantum Shortcuts to Adiabaticity
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.
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.
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.
Institute of Scientific and Technical Information of China (English)
无
2005-01-01
Based on the theory of Lie symmetries and conserved quantities, the exact invariants and adiabatic invariants of nonholonomic system in terms of quasi-coordinates are studied. The perturbation to symmetries for the nonholonomic system in terms of quasi-coordinates under small excitation is discussed. The concept of high-order adiabatic invariant is presented, and the forms of exact invariants and adiabatic invariants as well as the conditions for their existence are given. Then the corresponding inverse problem is studied.
Institute of Scientific and Technical Information of China (English)
CHEN Xiang-Wei; WANG Ming-Quan; WANG Xin-Min
2005-01-01
Based on the theory of symmetries and conserved quantities, the exact invariants and adiabatic invariants of nonholonomic dynamical system of relative motion are studied. The perturbation to symmetries for the nonholonomic dynamical system of relative motion under small excitation is discussed. The concept of high-order adiabatic invariant is presented, and the form of exact invariants and adiabatic invariants as well as the conditions for their existence are given. Then the corresponding inverse problem is studied.
Institute of Scientific and Technical Information of China (English)
WANG Yu-Sheng; ZHANG Xiao-Ni; YUAN Bao-He; FANG Jian-Hui; YANG Guo-Hong; LIN Peng; PANG Ting
2008-01-01
Based on the concept of higher-order adiabatic invariants of mechanical system with action of a small perturbation, the perturbation to Lie symmetry and generalized Hojman adiabatic invariants for the relativistic Hamilton system are studied. Perturbation to Lie symmetry is discussed under general infinitesimal transformation of groups in which time is variable. The form and the criterion of generalized Hojman adiabatic invariants for this system are obtained. Finally, an example is given to illustrate the results.
Lie symmetries, perturbation to symmetries and adiabatic invariants of Poincaré equation
Institute of Scientific and Technical Information of China (English)
Chen Xiang-Wei; Liu Cui-Mei; Li Yan-Min
2006-01-01
Based on the invariance of differential equations under infinitesimal transformations,Lie symmetry,laws of conservations,perturbation to the symmetries and adiabatic invariants of Poincaré equations are presented.The concepts of Lie symmetry and higher order adiabatic invariants of Poincaré equations are proposed.The conditions for existence of the exact invariants and adiabatic invariants are proved,and their forms are also given.In addition,an example is presented to illustrate these results.
Perturbation to Lie Symmetry and Adiabatic Invariants for General Holonomic Mechanical Systems
Institute of Scientific and Technical Information of China (English)
DING Ning; FANG Jian-Hui; WANG Peng; ZHANG Xiao-Ni
2007-01-01
Based on the concept of adiabatic invariant, the perturbation to the Lie symmetry and adiabatic invariants for general holonomic mechanical systems are studied. The exact invariants induced directly from the Lie symmetry of the system without perturbation are given. The perturbation to the Lie symmetry is discussed and the adiabatic invariants that have the different form from that in [Act. Phys. Sin. 55 (2006) 3236 (in Chinese)] of the perturbed system, are obtained.
Exact invariants and adiabatic invariants of dynamical system of relative motion
Institute of Scientific and Technical Information of China (English)
Chen Xiang-Wei; Wang Xin-Min; Wang Ming-Quan
2004-01-01
Based on the theory of symmetries and conserved quantities, the exact inwriants and adiabatic inwriants of a dynamical system of relative motion are studied. The perturbation to symmetries for the dynamical system of relative motion under small excitation is discussed. The concept of high-order adiabatic invariant is presented, and the form of exact invariants and adiabatic invariants as well as the conditions for their existence are given. Then the corresponding inverse problem is studied.
Theory of tunneling ionization of molecules: Weak-field asymptotics including dipole effects
DEFF Research Database (Denmark)
Tolstikhin, Oleg I.; Morishita, Toru; Madsen, Lars Bojer
2011-01-01
The formulation of the parabolic adiabatic expansion approach to the problem of ionization of atomic systems in a static electric field, originally developed for the axially symmetric case [ Phys. Rev. A 82 023416 (2010)], is generalized to arbitrary potentials. This approach is used to rederive...... the asymptotic theory of tunneling ionization in the weak-field limit. In the atomic case, the resulting formulas for the ionization rate coincide with previously known results. In addition, the present theory accounts for the possible existence of a permanent dipole moment of the unperturbed system and, hence......, applies to polar molecules. Accounting for dipole effects constitutes an important difference of the present theory from the so-called molecular Ammosov-Delone-Krainov theory. The theory is illustrated by comparing exact and asymptotic results for a set of model polar molecules and a realistic molecular...
Zhang, Song; Wang, Yanmei; Tang, Bifeng; Zheng, Qiusha; Zhang, Bing
2006-02-01
One-color two-photon ionization of 1-bromopropane, resulting in the 1-C 3H 7Br + ions in the X2E and X2E electronic states, is investigated using mass-analyzed threshold ionization (MATI) spectroscopy. The adiabatic ionization energies of two spin states are found to be 82 257 ± 5 and 84 823 ± 5 cm -1, respectively. The two-photon MATI spectrum exhibits an extensive vibrational structure. The active modes, including the C-Br stretching, the CH 2-Br wagging, the CH 2 and the CH 3 rocking modes, are observed and reliable values for these vibrational frequencies are obtained. We have also performed ab initio and density functional calculations, which provide interpretation for our experimental finding.
Wu, Jin-Lei; Ji, Xin; Zhang, Shou
2017-01-01
We propose a dressed-state scheme to achieve shortcuts to adiabaticity in atom-cavity quantum electrodynamics for speeding up adiabatic two-atom quantum state transfer and maximum entanglement generation. Compared with stimulated Raman adiabatic passage, the dressed-state scheme greatly shortens the operation time in a non-adiabatic way. By means of some numerical simulations, we determine the parameters which can guarantee the feasibility and efficiency both in theory and experiment. Besides, numerical simulations also show the scheme is robust against the variations in the parameters, atomic spontaneous emissions and the photon leakages from the cavity.
Adiabatic invariants of generalized Lutzky type for disturbed holonomic nonconservative systems
Institute of Scientific and Technical Information of China (English)
Luo Shao-Kai; Cai Jian-Le; Jia Li-Qun
2008-01-01
Based on the definition of higher-order adiabatic invariants of a mechanical system,a new type of adiabatic invariants,i.e.generalized Lutzky adiabatic invariants,of a disturbed holonomic nonconservative mechanical system are obtained by investigating the perturbation of Lie symmetries for a holonomic nonconservative mechanical system with the action of small disturbance.The adiabatic invaxiants and the exact invariants of the Lutzky type of some special cases,for example,the Lie point symmetrical transformations,the special Lie symmetrical transformations,and the Lagrange system,are given.And an example is given to illustrate the application of the method and results.
A new type of adiabatic invariants for nonconservative systems of generalized classical mechanics
Institute of Scientific and Technical Information of China (English)
Zhang Yi
2006-01-01
The perturbations to symmetries and adiabatic invariants for nonconservative systems of generalized classical mechanics are studied. The exact invariant in the form of Hojman from a particular Lie symmetry for an undisturbed system of generalized mechanics is given. Based on the concept of high-order adiabatic invariant in generalized mechanics, the perturbation to Lie symmetry for the system under the action of small disturbance is investigated, and a new adiabatic invariant for the nonconservative system of generalized classical mechanics is obtained, which can be called the Hojman adiabatic invariant. An example is also given to illustrate the application of the results.
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.
The 0.1K bolometers cooled by adiabatic demagnetization
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.
General background conditions for K-bounce and adiabaticity
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...
Breakdown of the adiabatic Born-Oppenheimer approximation in graphene
Pisana, Simone; Lazzeri, Michele; Casiraghi, Cinzia; Novoselov, Kostya S.; Geim, A. K.; Ferrari, Andrea C.; Mauri, Francesco
2007-03-01
The adiabatic Born-Oppenheimer approximation (ABO) has been the standard ansatz to describe the interaction between electrons and nuclei since the early days of quantum mechanics. ABO assumes that the lighter electrons adjust adiabatically to the motion of the heavier nuclei, remaining at any time in their instantaneous ground state. ABO is well justified when the energy gap between ground and excited electronic states is larger than the energy scale of the nuclear motion. In metals, the gap is zero and phenomena beyond ABO (such as phonon-mediated superconductivity or phonon-induced renormalization of the electronic properties) occur. The use of ABO to describe lattice motion in metals is, therefore, questionable. In spite of this, ABO has proved effective for the accurate determination of chemical reactions, molecular dynamics and phonon frequencies in a wide range of metallic systems. Here, we show that ABO fails in graphene. Graphene, recently discovered in the free state, is a zero-bandgap semiconductor that becomes a metal if the Fermi energy is tuned applying a gate voltage, Vg. This induces a stiffening of the Raman G peak that cannot be described within ABO.
Adiabatic Compression of Compact Tori for Current Drive and Heating
Woodruff, Simon; McNab, Angus; Miller, Kenneth; Ziemba, Tim
2008-11-01
Several critical issues stand in the development path for compact tori. An important one is the production of strong magnetic fields, (or large flux amplifications) by use of a low current source. The Pulsed Build-up Experiment is a Phase II SBIR project in which we aim to show a new means for generating strong magnetic fields from a low current source, namely, the repetitive injection of helicity-bearing plasma that also undergoes an acceleration and compression. In the Phase I SBIR, advanced computations were benchmarked against analytic theory and run to determine the best means for the acceleration and compression of a compact torus plasma. The study included detailed simulations of magnetic reconnection. In Phase II, an experiment has been designed and is being built to produce strong magnetic fields in a spheromak by the repetitive injection of magnetic helicity from a low current coaxial plasma source. The plasma will be accelerated and compressed in a similar manner to a traveling wave adiabatic compression scheme that was previously applied to a mirror plasma [1]. [1] P. M. Bellan Scalings for a Traveling Mirror Adiabatic Magnetic Compressor Rev. Sci. Instrum. 53(8) 1214 (1982) Work supported by DOE Grant No. DE-FG02-06ER84449.
Shortcut to adiabaticity for an anisotropic unitary Fermi gas
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...
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.
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.
Outflows of neutral (and ionized) gas in radio galaxies
Morganti, R; Tadhunter, C
2004-01-01
Outflows up to 1500 km/s of atomic neutral hydrogen are detected in a growing number of radio galaxies. Outflows with similar velocities are also detected in ionized gas, suggesting a common origin for the extreme kinematics of these two phases of the gas. The high detection rate ofsuch outflows in young (or restarted) radio sources appears to be related to the existence of a dense ISM around these objects. Such a dense ISM can have important consequences for the evolution of the radio source and the galaxy as a whole. Here we summarize the recent results obtained and the characteristics derived so far for these outflows. We also discuss possible mechanisms (e.g. interaction between the radio plasma and the ISM and adiabatically expanding broad emission lines clouds) that can be at the origin of these phenomena.
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.
Energy Technology Data Exchange (ETDEWEB)
Nelson, Tammie Renee [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tretiak, Sergei [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-01-06
Understanding and controlling excited state dynamics lies at the heart of all our efforts to design photoactive materials with desired functionality. This tailor-design approach has become the standard for many technological applications (e.g., solar energy harvesting) including the design of organic conjugated electronic materials with applications in photovoltaic and light-emitting devices. Over the years, our team has developed efficient LANL-based codes to model the relevant photophysical processes following photoexcitation (spatial energy transfer, excitation localization/delocalization, and/or charge separation). The developed approach allows the non-radiative relaxation to be followed on up to ~10 ps timescales for large realistic molecules (hundreds of atoms in size) in the realistic solvent dielectric environment. The Collective Electronic Oscillator (CEO) code is used to compute electronic excited states, and the Non-adiabatic Excited State Molecular Dynamics (NA-ESMD) code is used to follow the non-adiabatic dynamics on multiple coupled Born-Oppenheimer potential energy surfaces. Our preliminary NA-ESMD simulations have revealed key photoinduced mechanisms controlling competing interactions and relaxation pathways in complex materials, including organic conjugated polymer materials, and have provided a detailed understanding of photochemical products and intermediates and the internal conversion process during the initiation of energetic materials. This project will be using LANL-based CEO and NA-ESMD codes to model nonradiative relaxation in organic and energetic materials. The NA-ESMD and CEO codes belong to a class of electronic structure/quantum chemistry codes that require large memory, “long-queue-few-core” distribution of resources in order to make useful progress. The NA-ESMD simulations are trivially parallelizable requiring ~300 processors for up to one week runtime to reach a meaningful restart point.
Huo, Pengfei; Coker, David F
2012-12-14
Powerful approximate methods for propagating the density matrix of complex systems that are conveniently described in terms of electronic subsystem states and nuclear degrees of freedom have recently been developed that involve linearizing the density matrix propagator in the difference between the forward and backward paths of the nuclear degrees of freedom while keeping the interference effects between the different forward and backward paths of the electronic subsystem described in terms of the mapping Hamiltonian formalism and semi-classical mechanics. Here we demonstrate that different approaches to developing the linearized approximation to the density matrix propagator can yield a mean-field like approximate propagator in which the nuclear variables evolve classically subject to Ehrenfest-like forces that involve an average over quantum subsystem states, and by adopting an alternative approach to linearizing we obtain an algorithm that involves classical like nuclear dynamics influenced by a quantum subsystem state dependent force reminiscent of trajectory surface hopping methods. We show how these different short time approximations can be implemented iteratively to achieve accurate, stable long time propagation and explore their implementation in different representations. The merits of the different approximate quantum dynamics methods that are thus consistently derived from the density matrix propagator starting point and different partial linearization approximations are explored in various model system studies of multi-state scattering problems and dissipative non-adiabatic relaxation in condensed phase environments that demonstrate the capabilities of these different types of approximations for treating non-adiabatic electronic relaxation, bifurcation of nuclear distributions, and the passage from nonequilibrium coherent dynamics at short times to long time thermal equilibration in the presence of a model dissipative environment.
Non-Adiabatic Dynamics of ICN-(Ar)n and BrCN-(Ar)n
Opoku-Agyeman, Bernice; McCoy, Anne B.
2016-06-01
We investigate the dynamics of the photodissociation of ICN-(Ar)n and BrCN-(Ar)n following electronic excitation to states that dissociate into X- + CN and X* + CN- (X = I or Br) using classical dynamics approaches. Observations made from previous experiments and calculations of these anions demonstrated that non-adiabatic effects are important in the photodissociation process and are reflected in the branching ratios of the photoproducts. The addition of an argon atom is expected to shift the relative energies of these excited states, thereby altering the product branching. Interestingly, experimental studies show that electronically exciting ICN- solvated with even a single argon atom leads to a small fraction of the products recombine to form ICN-.a In this study, the dynamics are carried out using classical mechanics, treating the non-adiabatic effect with a surface hopping algorithm. We assess the accuracy of this approach by first calculating the branching ratios for the bare anions and comparing the results to those from quantum dynamics calculations.a,b Once the results from both the quantum and classical dynamics are shown to be consistent, the classical dynamics simulations are extended to the argon solvated anions. S. Case, E. M. Miller, J. P. Martin, Y. J. Lu, L. Sheps, A. B. McCoy, and W. C. Lineberger, Angew. Chem., Int. Ed. 51, 2651 (2012). B. Opoku-Agyeman, A. S. Case, J. H. Lehman, W. Carl Lineberger and A. B. McCoy, J. Chem Phys. 141, 084305 (2014). J. C. Tully, J. Chem Phys. 93, 1061 (1990).
Xie, Changjian; Zhu, Xiaolei; Ma, Jianyi; Yarkony, David R.; Xie, Daiqian; Guo, Hua
2015-03-01
Non-adiabatic processes play an important role in photochemistry, but the mechanism for conversion of electronic energy to chemical energy is still poorly understood. To explore the possibility of vibrational control of non-adiabatic dynamics in a prototypical photoreaction, namely, the A-band photodissociation of NH 3 ( X ˜ 1 A 1 ) , full-dimensional state-to-state quantum dynamics of symmetric or antisymmetric stretch excited NH 3 ( X ˜ 1 A 1 ) is investigated on recently developed coupled diabatic potential energy surfaces. The experimentally observed H atom kinetic energy distributions are reproduced. However, contrary to previous inferences, the NH 2 ( A ˜ 2 A 1 ) /NH 2 ( X ˜ 2 B 1 ) branching ratio is found to be small regardless of the initial preparation of NH 3 ( X ˜ 1 A 1 ) , while the internal state distribution of the preeminent fragment, NH 2 ( X ˜ 2 B 1 ) , is found to depend strongly on the initial vibrational excitation of NH 3 ( X ˜ 1 A 1 ) . The slow H atoms in photodissociation mediated by the antisymmetric stretch fundamental state are due to energy sequestered in the internally excited NH 2 ( X ˜ 2 B 1 ) fragment, rather than in NH 2 ( A ˜ 2 A 1 ) as previously proposed. The high internal excitation of the NH 2 ( X ˜ 2 B 1 ) fragment is attributed to the torques exerted on the molecule as it passes through the conical intersection seam to the ground electronic state of 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.
Institute of Scientific and Technical Information of China (English)
罗丽萍; 王姜; 章文军; 戴喜末; 方小伟; 张茜; 刘亚丽; 陈焕文
2013-01-01
Without any sample pretreatment,the mass spectral fingerprints of sulfur fumigated Chinese star anises and untreated samples were rapidly obtained in either a positive or negative ion detection mode with a home-made surface desorption atmospheric pressure chemical ionization (DAPCI) source.The DAPCI-MS raw data were further analyzed by principal component analysis (PCA) and cluster analysis (CA),and several unknown samples were successfully discriminated using the PCA model.The results showed that the DAPCIMS was able to detect some characteristic chemicals from the Chinese star anises' surface and identify the components by tandem mass spectrometry (MS/MS).The further principal component analysis (PCA) and cluster analysis (CA) of MS fingerprints allow a confident discrimination of sulfur fumigated star anise samples from the non-sulfur fumigated samples.The method developed here is attractive to provide a fast and effective way to screen sulfur fumigated products with sufficient sensitivity and no toxin pollution.This method is expected to be applied to rapid identification of the sulfur fumigated product on the market in future.%采用自行研制的表面解吸常压化学电离质谱(DAPCI-MS),无需样品预处理,对硫磺熏蒸八角和未熏八角直接进行正、负离子模式检测,获得其化学指纹图谱,并通过主成分分析(PCA)及聚类分析(CA)方法对所获指纹谱图信息进行分析,进而对不同样品进行鉴别.结果表明,在正、负离子模式下,DAPCI-MS都可对八角表面多种特征化学成分进行分析,快速获得八角的化学指纹谱图,并能够对目标组分进行多级串联质谱鉴定,结合PCA及CA方法可对八角是否经硫磺熏蒸进行快速鉴别.本方法无需样品预处理,灵敏度高,分析速度快,无污染,可望应用于市场上硫熏制品的快速鉴别.
Hydroxylamine nitrate self-catalytic kinetics study with adiabatic calorimetry.
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.
Properties of a two stage adiabatic demagnetization refrigerator
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.
A Random Matrix Model of Adiabatic Quantum Computing
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...
Optical waveguide device with an adiabatically-varying width
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.
Diffusion of the adiabatic invariant for modulated symplectic maps
Energy Technology Data Exchange (ETDEWEB)
Bazzani, A.; Brini, F.; Turchetti, G. [University of Bologna, INFN sezione di Bologna via Irnerio n.46, I-40126 Bologna (Italy)
1997-02-01
We consider the diffusion of the orbits due to a slow modulation of a parameter in an almost integrable symplectic map. This phenomenon (modulational diffusion) is relevant for the stability of the betatronic motion when the ripples are present in the feeding currents of the magnets. In the limit of a slow periodic modulation when the theory of Neishtadt applies, the diffusion takes place in the region swept by a nonlinear resonance and a random walk is defined in the space of the adiabatic invariant. The effect of the boundaries is reproduced by introducing an absorbing boundary condition (dynamical aperture) or a reflecting boundary condition. The analytical result for the action distribution function reproduces very well the numerical distribution function both when the diffusion takes place in a bounded region and when the orbits reach the dynamical aperture. {copyright} {ital 1997 American Institute of Physics.}
Adiabatic approximation for the Rabi model with broken inversion symmetry
Shen, Li-Tuo; Yang, Zhen-Biao; Wu, Huai-Zhi
2017-01-01
We study the properties and behavior of the Rabi model with broken inversion symmetry. Using an adiabatic approximation approach, we explore the high-frequency qubit and oscillator regimes, and obtain analytical solutions for the qubit-oscillator system. We demonstrate that, due to broken inversion symmetry, the positions of two potentials and zero-point energies in the oscillators become asymmetric and have a quadratic dependence on the mean dipole moments within the high-frequency oscillator regime. Furthermore, we find that there is a critical point above which the qubit-oscillator system becomes unstable, and the position of this critical point has a quadratic dependence on the mean dipole moments within the high-frequency qubit regime. Finally, we verify this critical point based on the method of semiclassical approximation.
Cosmological consequences of an adiabatic matter creation process
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...
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.
Adiabatic Dynamics of Edge Waves in Photonic Graphene
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.
Influence of coherent adiabatic excitation on femtosecond transient signals
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.
Adiabatic pumping of Chern-Simons axion coupling.
Taherinejad, Maryam; Vanderbilt, David
2015-03-06
We study the adiabatic pumping of the Chern-Simons axion (CSA) coupling along a parametric loop characterized by a nonzero second Chern number C^{(2)} from the viewpoint of the hybrid Wannier representation, in which the Wannier charge centers are visualized as sheets defined over a projected 2D Brillouin zone. We derive a new formula for the CSA coupling, expressing it as an integral involving Berry curvatures and potentials defined on the Wannier charge center sheets. We show that a loop characterized by a nonzero C^{(2)} requires a series of sheet-touching events at which 2π quanta of Berry curvature are passed from sheet to sheet, in such a way that e^{2}/h units of CSA coupling are pumped by a lattice vector by the end of the cycle. We illustrate these behaviors via explicit calculations on a model tight-binding Hamiltonian and discuss their implications.
Duality in adiabatic level crossing Quantum coherence and complete reflection
Fujikawa, K; Fujikawa, Kazuo; Suzuki, Hiroshi
1997-01-01
A field dependent su(2) gauge transformation connects between the adiabatic and diabatic pictures in the (Landau-Zener-Stueckelberg) level crossing problem. It is pointed out that weak and strong level crossing interactions are interchanged under this transformation, and thus realizing a naive strong and weak duality. A reliable perturbation theory is thus formulated in the both limits of weak and strong interactions. Main characteristics of the level crossing phenomena such as the Landau-Zener formula including its numerical coefficient are well-described by simple perturbation theory without referring to Stokes phenomena. We also show that quantum coherence in a double well potential is generally suppressed by the effect of level crossing, which is analogous to the effect of Ohmic dissipation on quantum coherence.
Diabatic and Adiabatic Collective Motion in a Model Pairing System
Nakatsukasa, T; Nakatsukasa, Takashi; Walet, Niels R.
1998-01-01
Large amplitude collective motion is investigated for a model pairing Hamiltonian containing an avoided level crossing. A classical theory of collective motion for the adiabatic limit is applied utilising either a time-dependent mean-field theory or a direct parametrisation of the time-dependent Schrödinger equation. A modified local harmonic equation is formulated to take account of the Nambu-Goldstone mode. It turns out that in some cases the system selects a diabatic path. Requantizing the collective Hamiltonian, a reasonable agreement with an exact calculation for the low-lying levels are obtained for both weak and strong pairing force. This improves on results of the conventional Born-Oppenheimer approximation.
Reversibility and Adiabatic Computation Trading Time and Space for Energy
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...
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.
Effect of Poisson noise on adiabatic quantum control
Kiely, A.; Muga, J. G.; Ruschhaupt, A.
2017-01-01
We present a detailed derivation of the master equation describing a general time-dependent quantum system with classical Poisson white noise and outline its various properties. We discuss the limiting cases of Poisson white noise and provide approximations for the different noise strength regimes. We show that using the eigenstates of the noise superoperator as a basis can be a useful way of expressing the master equation. Using this, we simulate various settings to illustrate different effects of Poisson noise. In particular, we show a dip in the fidelity as a function of noise strength where high fidelity can occur in the strong-noise regime for some cases. We also investigate recent claims [J. Jing et al., Phys. Rev. A 89, 032110 (2014), 10.1103/PhysRevA.89.032110] that this type of noise may improve rather than destroy adiabaticity.
Differential geometric treewidth estimation in adiabatic quantum computation
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.
New Dynamical Scaling Universality for Quantum Networks Across Adiabatic Quantum Phase Transitions
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.
IONIZED NITROGEN AT HIGH REDSHIFT
Energy Technology Data Exchange (ETDEWEB)
Decarli, R.; Walter, F. [Max-Planck Institut fuer Astronomie, Koenigstuhl 17, D-69117 Heidelberg (Germany); Neri, R.; Cox, P. [IRAM, 300 rue de la piscine, F-38406 Saint-Martin d' Heres (France); Bertoldi, F. [Argelander Institute for Astronomy, University of Bonn, Auf dem Huegel 71, D-53121 Bonn (Germany); Carilli, C. [NRAO, Pete V. Domenici Array Science Center, P.O. Box O, Socorro, NM 87801 (United States); Kneib, J. P. [Laboratoire d' Astrophysique de Marseille, Observatoire d' Astronomie Marseille-Provence, BP 8, F-13376 Marseille (France); Lestrade, J. F. [Observatoire de Paris, CNRS, 61 Av. de l' Observatoire, F-75014 Paris (France); Maiolino, R. [INAF-Osservatorio Astronomico di Roma, via di Frascati 33, I-00040 Monte Porzio Catone (Italy); Omont, A. [Institut d' Astrophysique de Paris, UPMC and CNRS, 98bis Bld. Arago, F-75014 Paris (France); Richard, J. [CRAL, Observatoire de Lyon, Universite Lyon 1, 9 Avenue Ch. Andre, F-69561 Saint Genis Laval Cedex (France); Riechers, D. [Astronomy Department, Caltech, 1200 East California Boulevard, Pasadena, CA 91125 (United States); Thanjavur, K. [Canada-France-Hawaii Telescope Corporation, HI 96743 (United States); Weiss, A., E-mail: decarli@mpia.de [Max-Planck-Institut fuer Radioastronomie, Auf dem Huegel 69, D-53121 Bonn (Germany)
2012-06-10
We present secure [N II]{sub 205{mu}m} detections in two millimeter-bright, strongly lensed objects at high redshift, APM 08279+5255 (z = 3.911) and MM 18423+5938 (z = 3.930), using the IRAM Plateau de Bure Interferometer. Due to its ionization energy [N II]{sub 205{mu}m} is a good tracer of the ionized gas phase in the interstellar medium. The measured fluxes are S([N II]{sub 205{mu}m}) = (4.8 {+-} 0.8) Jy km s{sup -1} and (7.4 {+-} 0.5) Jy km s{sup -1}, respectively, yielding line luminosities of L([N II]{sub 205{mu}m}) = (1.8 {+-} 0.3) Multiplication-Sign 10{sup 9} {mu}{sup -1} L{sub Sun} for APM 08279+5255 and L([N II]{sub 205{mu}m}) = (2.8 {+-} 0.2) Multiplication-Sign 10{sup 9} {mu}{sup -1} L{sub Sun} for MM 18423+5938. Our high-resolution map of the [N II]{sub 205{mu}m} and 1 mm continuum emission in MM 18423+5938 clearly resolves an Einstein ring in this source and reveals a velocity gradient in the dynamics of the ionized gas. A comparison of these maps with high-resolution EVLA CO observations enables us to perform the first spatially resolved study of the dust continuum-to-molecular gas surface brightness ({Sigma}{sub FIR}{proportional_to}{Sigma}{sup N}{sub CO}, which can be interpreted as the star formation law) in a high-redshift object. We find a steep relation (N = 1.4 {+-} 0.2), consistent with a starbursting environment. We measure a [N II]{sub 205{mu}m}/FIR luminosity ratio in APM 08279+5255 and MM 18423+5938 of 9.0 Multiplication-Sign 10{sup -6} and 5.8 Multiplication-Sign 10{sup -6}, respectively. This is in agreement with the decrease of the [N II]{sub 205{mu}m}/FIR ratio at high FIR luminosities observed in local galaxies.
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.
Ionization cross section of partially ionized hydrogen plasma
Energy Technology Data Exchange (ETDEWEB)
Baimbetov, F B; Kudyshev, Z A [Department of Physics, al - Farabi Kazakh National University, Almaty (Kazakhstan)], E-mail: Bfb77@kazsu.kz, E-mail: Z.Kudyshev@mail.ru
2008-05-01
In present work the electron impact ionization cross section is considered. The electron impact ionization cross section is calculated, based on pseudopotential model of interaction between plasma particles which accounts correlation effects. It is calculated with help of two methods: classical and quantum - mechanical (Born approximation). The ionization cross section is compared with corresponding results of other authors and experimental data. It has been shown that it is very important to take into account an influence of the surrounding during consideration of ionization processes.
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)...
Omiste, J J; Schmelcher, P; González-Férez, R; Holmegaard, L; Nielsen, J H; Stapelfeldt, H; Küpper, J
2011-01-01
We present a theoretical study of recent laser-alignment and mixed-field-orientation experiments of asymmetric top molecules. In these experiments, pendular states were created using linearly polarized strong ac electric fields from pulsed lasers in combination with weak electrostatic fields. We compare the outcome of our calculations with experimental results obtained for the prototypical large molecule benzonitrile (C$_7$H$_5$N) [J.L. Hansen et al, Phys. Rev. A, 83, 023406 (2011)] and explore the directional properties of the molecular ensemble for several field configurations, i.e., for various field strengths and angles between ac and dc fields. For perpendicular fields one obtains pure alignment, which is well reproduced by the simulations. For tilted fields, we show that a fully adiabatic description of the process does not reproduce the experimentally observed orientation, and it is mandatory to use a diabatic model for population transfer between rotational states. We develop such a model and compare ...
Multiple ionization in strong fields
Rudenko, A; Moshammer, R; Schröter, C; Zrost, K.; Feuerstein, B.; de Jesus, V.; Ullrich, J.
2005-01-01
Single and multiple ionization of rare gas atoms by 25 and 7 fs intense laser pulses has been studied using a "Reaction Microscope”. For single ionization of He, Ne and Ar in the tunnelling regime, surprising and distinct patterns have been observed in high-resolution low-energy electron spectra. Mechanisms of double and multiple ionization were elucidated and partly identified via recoil-ion momentum distributions and correlated electron spectra. For Ne the highly correlated “instantaneous” ...
Attosecond control of dissociative ionization of O{sub 2} molecules
Energy Technology Data Exchange (ETDEWEB)
Siu, W.; Kelkensberg, F.; Gademann, G. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Rouzee, A.; Vrakking, M. J. J. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Max-Born-Institut, Max-Born Strasse 2A, D-12489 Berlin (Germany); Johnsson, P. [FOM Institute AMOLF, Science Park 104, NL-1098 XG Amsterdam (Netherlands); Department of Physics, Lund University, Post Office Box 118, SE-221 00 Lund (Sweden); Dowek, D. [Laboratoire des Collisions Atomiques et Moleculaires (UMR Universite Paris-Sud et CNRS, 8625), Batiment 351, Universite Paris-Sud, F-91405 Orsay Cedex (France); Lucchini, M.; Calegari, F. [Department of Physics, Politecnico di Milano, Istituto di Fotonica e Nanotecnologie CNR-IFN, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); De Giovannini, U.; Rubio, A. [Nano-bio Spectroscopy Group, ETSF Scientific Development Centre, Universidad del Pais Vasco, Avenida Tolosa 72, E-20018 San Sebastian (Spain); Lucchese, R. R. [Department of Chemistry, Texas A and M University, Post Office Box 30012, College Station, Texas 77842-3012 (United States); Kono, H. [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan); Lepine, F. [Universite Lyon 1/CNRS/LASIM, UMR 5579, 43 Boulevard Du 11 Novembre 1918, F-69622 Villeurbane (France)
2011-12-15
We demonstrate that dissociative ionization of O{sub 2} can be controlled by the relative delay between an attosecond pulse train (APT) and a copropagating infrared (IR) field. Our experiments reveal a dependence of both the branching ratios between a range of electronic states and the fragment angular distributions on the extreme ultraviolet (XUV) to IR time delay. The observations go beyond adiabatic propagation of dissociative wave packets on IR-induced quasistatic potential energy curves and are understood in terms of an IR-induced coupling between electronic states in the molecular ion.
Institute of Scientific and Technical Information of China (English)
刘星星; 方小伟; 黄学勇; 张婷婷; 陈焕文; 罗丽萍
2016-01-01
采用表面解吸常压化学电离质谱(SDAPCI-MS)技术直接对5种化学型的樟树叶粉末片剂进行分析,获得其化学指纹谱图信息.采用主成分分析(PCA)、 聚类分析(CA)和反向传输人工神经网络(BP-ANN)对谱图信息进行分析,获得各化学型樟树叶粉末片剂的特征质谱信息,进而对不同化学型样品进行判别.结果表明,在正离子模式下,SDAPCI-MS能快速获取樟树的化学指纹谱图;PCA分析中的PC1,PC2和PC3贡献率分别为79.9%,12.9%和4.2%,共计97.0%.SDAPCI-MS结合CA和BP-ANN测试样本准确率均为100%,能够快速、有效地判别出樟树化学型.%Surface desorption atmospheric pressure chemical ionization mass spectrometry( SDAPCI-MS) was selected to detect five chemotypes of C. camphora leaves powder and the raw mass spectral fingerprints of the powder samples were obtained. Principal component analysis ( PCA ) , cluster analysis ( CA ) and the back propagation artificial neural network technology( BP-ANN) were used to analyze the spectral information. The results showed that the SDAPCI-MS technique could got mass spectral fingerprints of C. camphora quickly in positive ion mode. The contribution rates of PC1, PC2, PC3 were 79. 9%, 12. 9% and 4. 2%, respectively, with a total of 97. 0% in PCA. The accuracy of discrimination of CA and BP-ANN of SDAPCI-MS was 100%.
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.
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.
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.
Energy-Efficient and Secure S-Box circuit using Symmetric Pass Gate Adiabatic Logic
Energy Technology Data Exchange (ETDEWEB)
Kumar, Dinesh [University of Kentucky, Lexington; Thapliyal, Himanshu [ORNL; 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.
Recent developments in trapping and manipulation of atoms with adiabatic potentials
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.
Mitra, Avik; Ghosh, Arindam; Das, Ranabir; Patel, Apoorva; Kumar, Anil
2005-12-01
Quantum adiabatic algorithm is a method of solving computational problems by evolving the ground state of a slowly varying Hamiltonian. The technique uses evolution of the ground state of a slowly varying Hamiltonian to reach the required output state. In some cases, such as the adiabatic versions of Grover's search algorithm and Deutsch-Jozsa algorithm, applying the global adiabatic evolution yields a complexity similar to their classical algorithms. However, using the local adiabatic evolution, the algorithms given by J. Roland and N.J. Cerf for Grover's search [J. Roland, N.J. Cerf, Quantum search by local adiabatic evolution, Phys. Rev. A 65 (2002) 042308] and by Saurya Das, Randy Kobes, and Gabor Kunstatter for the Deutsch-Jozsa algorithm [S. Das, R. Kobes, G. Kunstatter, Adiabatic quantum computation and Deutsh's algorithm, Phys. Rev. A 65 (2002) 062301], yield a complexity of order N (where N=2(n) and n is the number of qubits). In this paper, we report the experimental implementation of these local adiabatic evolution algorithms on a 2-qubit quantum information processor, by Nuclear Magnetic Resonance.
Droplet dynamics and ionization mechanisms in desorption electrospray ionization mass spectrometry.
Venter, Andre; Sojka, Paul E; Cooks, R Graham
2006-12-15
A droplet pickup and other mechanisms have been suggested for the ionization of biomolecules like peptides and proteins by desorption electrospray ionization. To verify this hypothesis phase Doppler particle analysis was used to study the sizes and velocities of droplets involved in DESI. It was found that impacting droplets typically have velocities of 120 m/s and average diameters of 2-4 microm. Small differences in sprayer construction influence the operating conditions at which droplets of these dimensions are produced. Under these conditions, the kinetic energy per impacting water molecule is less than 0.6 meV and sputtering through momentum transfer during collisions or ionization by other electronic processes is unlikely. Droplets arrive at the surface with velocities well below the speed of sound in common materials, thereby excluding the possibility of ionization by shockwave formation. Some droplets appear to roll along the surface, increasing contact time and presumably the amount of material that is taken up into droplets during conditions typical of the DESI experiment.
Directory of Open Access Journals (Sweden)
P. Savoini
2005-12-01
Full Text Available Test particle simulations are performed in order to analyze in detail the dynamics of transmitted electrons through a supercritical, strictly perpendicular, collisionless shock. In addition to adiabatic particles, two distinct nonadiabatic populations are observed surprisingly: (i first, an over-adiabatic population characterized by an increase in the gyrating velocity higher than that expected from the conservation of the magnetic moment µ, and (ii second, an under-adiabatic population characterized by a decrease in this velocity. Results show that both nonadiabatic populations have their pitch angle more aligned along the magnetic field than the adiabatic one at the time these hit the shock front. The formation of "under" and "over-adiabatic" particles strongly depends on their local injection conditions through the large amplitude cross-shock potential present within the shock front. A simplified theoretical model validates these results and points out the important role of the electric field as seen by the electrons. A classification shows that both nonadiabatic electrons are issued from the core part of the upstream distributionÊ function. In contrast, suprathermal and tail electrons only contribute to the adiabatic population; nevertheless, the core part of the upstream distribution contributes at a lower percentage to the adiabatic electrons. Under-adiabatic electrons are characterized by small injection angles θ_{inj}≤90°, whereas "over-adiabatic" particles have high injection angles θ_{inj}>90° (where θ_{inj} is the angle between the local gyrating velocity vector and the shock normal.
Pathways of the single and double ionization of H$_2$ in intense laser field
Sami, Firoozeh; Shokri, Babak
2010-01-01
The time dependent Schr\\"{o}dinger and Newton equations are solved simultaneously for the electrons and the nuclei of H$_2$ respectively. The electrons and nuclei dynamics is separated on the base of the adiabatic approximation. The soft-core potential is used to model the electrostatic interaction between the electrons and the nuclei. The high intensity ultrashort laser pulse is used in three different wavelengths, 390 nm, 532 nm and 780 nm and a sinus second order envelope function is used for all of laser fields. The distinguishable pathways and regions of the single and sequential double ionization are determined and discussed. It is shown that there are two distinguishable pathways for the single ionization and four distinct pathways for the sequential double ionization. It is also shown that there are two different regions which are related to the single ionization. Three different regions can also be recognized which are related to the double ionization. The bound-hardening is observed for the initial ...
Applications of ionizing radiations
Energy Technology Data Exchange (ETDEWEB)
NONE
2014-07-01
Developments in standard applications and brand new nuclear technologies, with high impact on the future of the agriculture, medicine, industry and the environmental preservation. The Radiation Technology Center (CTR) mission is to apply the radiation and radioisotope technologies in Industry, Health, Agriculture, and Environmental Protection, expanding the scientific knowledge, improving human power resources, transferring technology, generating products and offering services for the Brazilian society. The CTR main R and D activities are in consonance with the IPEN Director Plan (2011-2013) and the Applications of Ionizing Radiation Program, with four subprograms: Irradiation of Food and Agricultural Products; Radiation and Radioisotopes Applications in Industry and Environment; Radioactive Sources and Radiation Applications in Human Health; and Radioactive Facilities and Equipment for the Applications of Nuclear Techniques.
Multiphoton ionization of Uracil
Prieto, Eladio; Martinez, Denhi; Guerrero, Alfonso; Alvarez, Ignacio; Cisneros, Carmen
2016-05-01
Multiphoton ionization and dissociation of Uracil using a Reflectron time of flight spectrometer was performed along with radiation from the second harmonic of a Nd:YAG laser. Uracil is one of the four nitrogen bases that belong to RNA. The last years special interest has been concentrated on the study of the effects under UV radiation in nucleic acids1 and also in the role that this molecule could have played in the origin and development of life on our planet.2 The MPI mass spectra show that the presence and intensity of the resulting ions strongly depend on the density power. The identification of the ions in the mass spectra is presented. The results are compared with those obtained in other laboratories under different experimental conditions and some of them show partial agreement.3 The present work was supported by CONACYT-Mexico Grant 165410 and DGAPA UNAM Grant IN101215 and IN102613.
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.
Adiabatic Floquet Picture for Hydrogen Atom in an Intense Laser Field
Wang, Yujun; Esry, B D
2010-01-01
We develop an adiabatic Floquet picture in the length gauge to describe the dynamics of a hydrogen atom in an intense laser field. In this picture, we discuss the roles played by frequency and intensity in terms of adiabatic potentials and the couplings between them, which gives a physical and intuitive picture for quantum systems exposed to a laser field. For simplicity, analyze hydrogen and give the adiabatic potential curves as well as some physical quantities that can be readily calculated for the ground state. Both linearly and circularly polarized laser fields are discussed.
Institute of Scientific and Technical Information of China (English)
ZHANG Ming-Jiang; FANG Jian-Hui; LU Kai; ZHANG Ke-Jun; LI Yan
2009-01-01
The perturbation to Noether symmetry and Noether adiabatic invariants of general discrete holonomic systems are studied.First,the discrete Noether exact invariant induced directly from the Noether symmetry of the system without perturbation is given.Secondly,the concept of discrete high-order adiabatic invariant is presented,the criterion of the perturbation to Noether symmetry is established,and the discrete Noether adiabatic invariant induced directly from the perturbation to Noether symmetry is obtained.Lastly,an example is discussed to illustrate the application of the results.
Directory of Open Access Journals (Sweden)
Peter Keefe
2004-03-01
Full Text Available Abstract: The nature of the thermodynamic behavior of Type I superconductor particles, having a cross section less than the Ginzburg-Landau temperature dependent coherence length is discussed for magnetic field induced adiabatic phase transitions from the superconductive state to the normal state. Argument is advanced supporting the view that when the adiabatic magneto-caloric process is applied to particles, the phase transition is characterized by a decrease in entropy in violation of traditional formulations of the Second Law, evidenced by attainment of a final process temperature below that which would result from an adiabatic magneto-caloric process applied to bulk dimensioned specimens.
Solitary shock waves and adiabatic phase transition in lipid interfaces and nerves.
Shrivastava, Shamit; Kang, Kevin Heeyong; Schneider, Matthias F
2015-01-01
This study shows that the stability of solitary waves excited in a lipid monolayer near a phase transition requires positive curvature of the adiabats, a known necessary condition in shock compression science. It is further shown that the condition results in a threshold for excitation, saturation of the wave's amplitude, and the splitting of the wave at the phase boundaries. Splitting in particular confirms that a hydrated lipid interface can undergo condensation on adiabatic heating, thus showing retrograde behavior. Finally, using the theoretical insights and state dependence of conduction velocity in nerves, the curvature of the adiabatic state diagram is shown to be closely tied to the thermodynamic blockage of nerve pulse propagation.
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...
Ionization enhanced ion collection by a small floating grain in plasmas
Khrapak, Sergey A
2011-01-01
It is demonstrated that the ionization events in the vicinity of a small floating grain can increase the ion flux to its surface. In this respect the effect of electron impact ionization is fully analogous to that of the ion-neutral resonant charge exchange collisions. Both processes create slow ion which cannot overcome grain' electrical attraction and eventually fall onto its surface. The relative importance of ionization and ion-neutral collisions is roughly given by the ratio of the corresponding frequencies. We have evaluated this ratio for neon and argon plasmas to demonstrate that ionization enhanced ion collection can indeed be an important factor affecting grain charging in realistic experimental conditions.
Adiabatic Demagnetisation Refrigerators for Future Sub-Millimetre Space Missions
Hepburn, I. D.; Davenport, I.; Smith, A.
1995-10-01
Space worthy refrigeration capable of providing a 100 mK and below heat load sink for bolometric detectors will be required for the next generation of sub-millimetre space missions. Adiabatic demagnetisation refrigeration (ADR), being a gravity independent laboratory method for obtaining such temperatures, is a favourable technique for utilisation in space. We show that by considering a 3 salt pill refrigerator rather than the classic single salt pill design the space prohibitive laboratory ADR properties of high magnetic field (6 Tesla) and alow temperature hold time and short recycle time. The additional salt pills, composed of Gadolinium Gallium Garnet (GGG) provide intermediate cooling stages, enabling operation from a 4 K environment provided by a single 4 K mechanical cooler, thereby providing consumable free operation. Such ADRs could operate with fields as low as 1 Tesla allowing the use of high temperature, mechanically cooled superconducting magnets and so effectively remove the risk of quenching. We discuss the possibility of increasing the hold time from 3 hours, for the model presented, to between 40 and 80 hours, plus reducing the number of salt pills to two, through the use of a more efficient Garnet. We believe the technical advances necessitated by the envisaged ADRs are minimal and conclude that such ADRs offer a long orbital life time, consumable free, high efficiency means of milli-Kelvin cooling, requiring relatively little laboratory development.
Development of a semi-adiabatic isoperibol solution calorimeter
Energy Technology Data Exchange (ETDEWEB)
Venkata Krishnan, R.; Jogeswararao, G.; Parthasarathy, R.; Premalatha, S.; Prabhakar Rao, J.; Gunasekaran, G.; Ananthasivan, K., E-mail: asivan@igcar.gov.in [Chemistry Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India)
2014-12-15
A semi-adiabatic isoperibol solution calorimeter has been indigenously developed. The measurement system comprises modules for sensitive temperature measurement probe, signal processing, data collection, and joule calibration. The sensitivity of the temperature measurement module was enhanced by using a sensitive thermistor coupled with a lock-in amplifier based signal processor. A microcontroller coordinates the operation and control of these modules. The latter in turn is controlled through personal computer (PC) based custom made software developed with LabView. An innovative summing amplifier concept was used to cancel out the base resistance of the thermistor. The latter was placed in the dewar. The temperature calibration was carried out with a standard platinum resistance (PT100) sensor coupled with an 8½ digit multimeter. The water equivalent of this calorimeter was determined by using electrical calibration with the joule calibrator. The experimentally measured values of the quantum of heat were validated by measuring heats of dissolution of pure KCl (for endotherm) and tris (hydroxyl methyl) amino-methane (for exotherm). The uncertainity in the measurements was found to be within ±3%.
Thermodynamic and spectral properties of adiabatic Peierls chains
Weber, Manuel; Assaad, Fakher F.; Hohenadler, Martin
2016-10-01
We present exact numerical results for the effects of thermal fluctuations on the experimentally relevant thermodynamic and spectral properties of Peierls chains. To this end, a combination of classical Monte Carlo sampling and exact diagonalization is used to study adiabatic half-filled Holstein and Su-Schrieffer-Heeger models. The classical nature of the lattice displacements in combination with parallel tempering permit simulations on large system sizes and a direct calculation of spectral functions in the frequency domain. Most notably, the long-range order and the associated Peierls gap give rise to a distinct low-temperature peak in the specific heat. The closing of the gap and suppression of order by thermal fluctuations involves in-gap excitations in the form of soliton-antisoliton pairs and is also reflected in the dynamic density and bond structure factors as well as in the optical conductivity. We compare our data to the widely used mean-field approximation and highlight relations to symmetry-protected topological phases and disorder problems.
Random Matrix Approach to Quantum Adiabatic Evolution Algorithms
Boulatov, Alexei; Smelyanskiy, Vadier N.
2004-01-01
We analyze the power of quantum adiabatic evolution algorithms (Q-QA) for solving random NP-hard optimization problems within a theoretical framework based on the random matrix theory (RMT). We present two types of the driven RMT models. In the first model, the driving Hamiltonian is represented by Brownian motion in the matrix space. We use the Brownian motion model to obtain a description of multiple avoided crossing phenomena. We show that the failure mechanism of the QAA is due to the interaction of the ground state with the "cloud" formed by all the excited states, confirming that in the driven RMT models. the Landau-Zener mechanism of dissipation is not important. We show that the QAEA has a finite probability of success in a certain range of parameters. implying the polynomial complexity of the algorithm. The second model corresponds to the standard QAEA with the problem Hamiltonian taken from the Gaussian Unitary RMT ensemble (GUE). We show that the level dynamics in this model can be mapped onto the dynamics in the Brownian motion model. However, the driven RMT model always leads to the exponential complexity of the algorithm due to the presence of the long-range intertemporal correlations of the eigenvalues. Our results indicate that the weakness of effective transitions is the leading effect that can make the Markovian type QAEA successful.
Stimulated Raman adiabatic passage in physics, chemistry, and beyond
Vitanov, Nikolay V.; Rangelov, Andon A.; Shore, Bruce W.; Bergmann, Klaas
2017-01-01
The technique of stimulated Raman adiabatic passage (STIRAP), which allows efficient and selective population transfer between quantum states without suffering loss due to spontaneous emission, was introduced in 1990 by Gaubatz et al.. Since then STIRAP has emerged as an enabling methodology with widespread successful applications in many fields of physics, chemistry, and beyond. This article reviews the many applications of STIRAP emphasizing the developments since 2001, the time when the last major review on the topic was written (Vitanov, Fleischhauer et al.). A brief introduction into the theory of STIRAP and the early applications for population transfer within three-level systems is followed by the discussion of several extensions to multilevel systems, including multistate chains and tripod systems. The main emphasis is on the wide range of applications in atomic and molecular physics (including atom optics, cavity quantum electrodynamics, formation of ultracold molecules, etc.), quantum information (including single- and two-qubit gates, entangled-state preparation, etc.), solid-state physics (including processes in doped crystals, nitrogen-vacancy centers, superconducting circuits, semiconductor quantum dots and wells), and even some applications in classical physics (including waveguide optics, polarization optics, frequency conversion, etc.). Promising new prospects for STIRAP are also presented (including processes in optomechanics, precision experiments, detection of parity violation in molecules, spectroscopy of core-nonpenetrating Rydberg states, population transfer with x-ray pulses, etc.).
Nickel Bubble Expansion in Type Ia Supernovae: Adiabatic Solutions
Wang, C Y
2006-01-01
We examine the expansion properties of the Nickel bubble in SNe Ia due to the radioactive heating from the 56Ni->56Co->56Fe decay sequence, under adiabatic, spherically symmetric approximation. We consider an exponentially -declining medium for the ejecta substrate, allowing for the density gradient as expected in a Type Ia supernova. The heating gives rise to an inflated Ni bubble, which induces a forward shock that compresses the outer ambient gas into a shell. As the heating saturates, the flow tends toward a freely-expanding state with the structure frozen into the ejecta. The thickness of the shell takes up ~ 100 in a narrow region limited by numerical resolution. The structure of the shell can be approximately described by a self-similar solution determined by its expansion rate and ambient density gradient. Compared to the case using a uniform-density medium, the density contrast of the inferred ejecta clumps is enhanced, while the interaction of the clumps with the remnant is deferred to a more advanc...
Thermodynamics Analysis of Refinery Sludge Gasification in Adiabatic Updraft Gasifier
Directory of Open Access Journals (Sweden)
Reem Ahmed
2014-01-01
Full Text Available Limited information is available about the thermodynamic evaluation for biomass gasification process using updraft gasifier. Therefore, to minimize errors, the gasification of dry refinery sludge (DRS is carried out in adiabatic system at atmospheric pressure under ambient air conditions. The objectives of this paper are to investigate the physical and chemical energy and exergy of product gas at different equivalent ratios (ER. It will also be used to determine whether the cold gas, exergy, and energy efficiencies of gases may be maximized by using secondary air injected to gasification zone under various ratios (0, 0.5, 1, and 1.5 at optimum ER of 0.195. From the results obtained, it is indicated that the chemical energy and exergy of producer gas are magnified by 5 and 10 times higher than their corresponding physical values, respectively. The cold gas, energy, and exergy efficiencies of DRS gasification are in the ranges of 22.9–55.5%, 43.7–72.4%, and 42.5–50.4%, respectively. Initially, all 3 efficiencies increase until they reach a maximum at the optimum ER of 0.195; thereafter, they decline with further increase in ER values. The injection of secondary air to gasification zone is also found to increase the cold gas, energy, and exergy efficiencies. A ratio of secondary air to primary air of 0.5 is found to be the optimum ratio for all 3 efficiencies to reach the maximum values.
Development of a semi-adiabatic isoperibol solution calorimeter.
Venkata Krishnan, R; Jogeswararao, G; Parthasarathy, R; Premalatha, S; Prabhakar Rao, J; Gunasekaran, G; Ananthasivan, K
2014-12-01
A semi-adiabatic isoperibol solution calorimeter has been indigenously developed. The measurement system comprises modules for sensitive temperature measurement probe, signal processing, data collection, and joule calibration. The sensitivity of the temperature measurement module was enhanced by using a sensitive thermistor coupled with a lock-in amplifier based signal processor. A microcontroller coordinates the operation and control of these modules. The latter in turn is controlled through personal computer (PC) based custom made software developed with LabView. An innovative summing amplifier concept was used to cancel out the base resistance of the thermistor. The latter was placed in the dewar. The temperature calibration was carried out with a standard platinum resistance (PT100) sensor coupled with an 8½ digit multimeter. The water equivalent of this calorimeter was determined by using electrical calibration with the joule calibrator. The experimentally measured values of the quantum of heat were validated by measuring heats of dissolution of pure KCl (for endotherm) and tris (hydroxyl methyl) amino-methane (for exotherm). The uncertainity in the measurements was found to be within ±3%.
Progress in the Development of a Continuous Adiabatic Demagnetization Refrigerator
Shirron, Peter; Canavan, Edgar; DiPirro, Michael; Jackson, Michael; King, Todd; Tuttle, James; Krebs, Carolyn A. (Technical Monitor)
2002-01-01
We report on recent progress in the development of a continuous adiabatic demagnetization refrigerator (CADR). Continuous operation avoids the constraints of long hold times and short recycle times that lead to the generally large mass of single-shot ADRs, allowing us to achieve an order of magnitude larger cooling power per unit mass. Our current design goal is 10 micro W of cooling at 50 mK using a 6-10 K heat sink. The estimated mass is less than 10 kg, including magnetic shielding of each stage. The relatively high heat rejection capability allows it to operate with a mechanical cryocooler as part of a cryogen-free, low temperature cooling system. This has the advantages of long mission life and reduced complexity and cost. We have assembled a three-stage CADR and have demonstrated continuous cooling using a superfluid helium bath as the heat sink. The temperature stability is 8 micro K rms or better over the entire cycle, and the cooling power is 2.5 micro W at 60 mK rising to 10 micro W at 100 mK.
Thermodynamics analysis of refinery sludge gasification in adiabatic updraft gasifier.
Ahmed, Reem; Sinnathambi, Chandra M; Eldmerdash, Usama; Subbarao, Duvvuri
2014-01-01
Limited information is available about the thermodynamic evaluation for biomass gasification process using updraft gasifier. Therefore, to minimize errors, the gasification of dry refinery sludge (DRS) is carried out in adiabatic system at atmospheric pressure under ambient air conditions. The objectives of this paper are to investigate the physical and chemical energy and exergy of product gas at different equivalent ratios (ER). It will also be used to determine whether the cold gas, exergy, and energy efficiencies of gases may be maximized by using secondary air injected to gasification zone under various ratios (0, 0.5, 1, and 1.5) at optimum ER of 0.195. From the results obtained, it is indicated that the chemical energy and exergy of producer gas are magnified by 5 and 10 times higher than their corresponding physical values, respectively. The cold gas, energy, and exergy efficiencies of DRS gasification are in the ranges of 22.9-55.5%, 43.7-72.4%, and 42.5-50.4%, respectively. Initially, all 3 efficiencies increase until they reach a maximum at the optimum ER of 0.195; thereafter, they decline with further increase in ER values. The injection of secondary air to gasification zone is also found to increase the cold gas, energy, and exergy efficiencies. A ratio of secondary air to primary air of 0.5 is found to be the optimum ratio for all 3 efficiencies to reach the maximum values.
Adiabatic calorimetry (RSST and VSP) tests with sodium acetate
Energy Technology Data Exchange (ETDEWEB)
Kirch, N.W.
1993-09-01
As requested in the subject reference, adiabatic calorimetry (RSST and VSP) tests have been performed with sodium acetate covering TOC concentrations from 3 to 7% with the following results: Exothermic activity noted around 200{degrees}C. Propagating reaction initiated at about 300{degrees}C. Required TOC concentration for propagation estimated at about 6 w% (dry mixture) or about 20 w% sodium acetate. Heat of reaction estimated to be 3.7 MJ per kg of sodium acetate (based on VSP test with 3 w% TOC and using a dry mixture specific heat of 1000 J kg{sup {minus}1} K{sup {minus}1}). Based upon the above results we estimate that a moisture content in excess of 14 w% would prevent a propagating reaction of a stoichiometric mixture of fuel and oxidizer ({approximately} 38 w% sodium acetate and {approximately}62 w% sodium nitrate). Assuming that the fuel can be treated as sodium acetate equivalent, and considering that the moisture content in the organic containing waste generally is believed to be in excess of 14 w%, it follows that the possibility of propagating reactions in the Hanford waste tanks can be ruled out.
Calculating excitation energies by extrapolation along adiabatic connections
Rebolini, Elisa; Teale, Andrew M; Helgaker, Trygve; Savin, Andreas
2015-01-01
In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a partially interacting system. Starting from the analysis of the Taylor expansion of the energies of the partially interacting system around the physical system, we use an extrapolation scheme to improve the estimation of the energies of the physical system at an intermediate point of the range-separated or linear adiabatic connection where either the electron--electron interaction is scaled or only the long-range part of the Coulomb interaction is included. The extrapolation scheme is first applied to the range-separated energies of the helium and beryllium atoms and of the hydrogen molecule at its equilibrium and stretched geometries. It improves significantly the convergence rate of the energies toward their exact limit with respect to the range-separation parameter. The range...
Hydrocarbon analysis using desorption atmospheric pressure chemical ionization
Jjunju, Fred Paul Mark
2013-07-01
Characterization of the various petroleum constituents (hydronaphthalenes, thiophenes, alkyl substituted benzenes, pyridines, fluorenes, and polycyclic aromatic hydrocarbons) was achieved under ambient conditions without sample preparation by desorption atmospheric pressure chemical ionization (DAPCI). Conditions were chosen for the DAPCI experiments to control whether ionization was by proton or electron transfer. The protonated molecule [M+H]+ and the hydride abstracted [MH]+ form were observed when using an inert gas, typically nitrogen, to direct a lightly ionized plasma generated by corona discharge onto the sample surface in air. The abundant water cluster ions generated in this experiment react with condensed-phase functionalized hydrocarbon model compounds and their mixtures at or near the sample surface. On the other hand, when naphthalene was doped into the DAPCI gas stream, its radical cation served as a charge exchange reagent, yielding molecular radical cations (M+) of the hydrocarbons. This mode of sample ionization provided mass spectra with better signal/noise ratios and without unwanted side-products. It also extended the applicability of DAPCI to petroleum constituents which could not be analyzed through proton transfer (e.g., higher molecular PAHs such as chrysene). The thermochemistry governing the individual ionization processes is discussed and a desorption/ionization mechanism is inferred. © 2012 Elsevier B.V.
Equation of state of dense neon and krypton plasmas in the partial ionization regime
Energy Technology Data Exchange (ETDEWEB)
Chen, Q. F., E-mail: chenqf01@gmail.com; Zheng, J.; Gu, Y. J.; Li, Z. G. [Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, P.O. Box 919-102, Mianyang, Sichuan (China)
2015-12-15
The compression behaviors of dense neon and krypton plasmas over a wide pressure-temperature range are investigated by self-consistent fluid variational theory. The ionization degree and equation of state of dense neon and krypton are calculated in the density-temperature range of 0.01–10 g/cm{sup 3} and 4–50 kK. A region of thermodynamic instability is found which is related to the plasma phase transition. The calculated shock adiabat and principal Hugoniot of liquid krypton are in good agreement with available experimental data. The predicted results of shock-compressed liquid neon are presented, which provide a guide for dynamical experiments or numerical first-principle calculations aimed at studying the compression properties of liquid neon in the partial ionization regime.
DEFF Research Database (Denmark)
Hansen, Jonas Lerche; Holmegaard, Lotte; Kalhøj, Line;
2011-01-01
are quantum-state selected using a deflector and three-dimensionally (3D) aligned and oriented adiabatically using an elliptically polarized laser pulse in combination with a static electric field. A characteristic splitting in the molecular frame photoelectron momentum distribution reveals the position......We present a combined experimental and theoretical study on strong-field ionization of a three-dimensionally-oriented asymmetric top molecule, benzonitrile (C7H5N), by circularly polarized, nonresonant femtosecond laser pulses. Prior to the interaction with the strong field, the molecules...... of the nodal planes of the molecular orbitals from which ionization occurs. The experimental results are supported by a theoretical tunneling model that includes and quantifies the splitting in the momentum distribution. The focus of the present article is to understand strong-field ionization from 3D...
A non-adiabatic dynamics study of octatetraene: the radiationless conversion from S2 to S1.
Qu, Zexing; Liu, Chungen
2013-12-28
Simulation of the excited state dynamics of all-trans-1,3,5,7-octatetraene has been performed to investigate the ultrafast radiationless S2 → S1 internal conversion process. Multireference configuration interaction with single excitation method has been employed to optimize the equilibrium structure of the excited states, as well as the S2/S1 conical intersection, and to investigate the non-adiabatic molecular dynamics of the S2/S1 state transition. At the conical intersection, the molecule is found to be distorted from the original planar trans structure to a nearly perpendicular conformation around C3-C4 bond, with the torsion angle being about 107°. Such structural change can result in mutual approaching of states S2 and S1 in energy, and drastically increase the nonadiabatic coupling between the two states by destroying the inter-state symmetry prohibition in the electronic wavefunctions. Surface-hopping molecular dynamics simulations are performed to describe the non-adiabatic process. Upon the Franck-Condon excitation to the S2 state, the molecule quickly twists its C3-C4 bond and approaches the conical intersection region, where it can undergo efficient internal conversion to S1. The decay time constant (τ) of S2 state is estimated to be around 251 fs by fitting the occupation number of average fraction of trajectories using an exponential damping function. This value is reasonably consistent with previous experimental measurements of around 300-400 fs.
Non-adiabatic holonomy operators in classical and quantum completely integrable systems
Giachetta, G; Sardanashvily, G
2002-01-01
Given a completely integrable system, we associate to any connection on its invariant tori fibred over a parameter manifold the classical and quantum holonomy operator (generalized Berry's phase factor), without any adiabatic approximation.
Time-resolved photoelectron spectroscopy of non-adiabatic dynamics in polyatomic molecules
Stolow, Albert
2015-01-01
This review article discusses advances in the use of time-resolved photoelectron spectroscopy for the study of non-adiabatic processes in molecules. A theoretical treatment of the experiments is presented together with a number of experimental examples.
Institute of Scientific and Technical Information of China (English)
WANG Peng
2011-01-01
Perturbation to Noether symmetry of discrete mechanico-electrical systems on an uniform lattice is investigated.First, Noether theorem of a system is presented. Secondly, the criterion of perturbation to Noether symmetry of the system is given. Based on the definition of adiabatic invariants, Noether adiabatic invariants of the system are obtained. Finally, An example is given to support these results.%@@ Perturbation to Noether symmetry of discrete mechanico-electrical systems on an uniform lattice is investigated.First, Noether theorem of a system is presented.Secondly , the criterion of perturbation to Noether symmetry of the system is given.Based on the definition of adiabatic invariants, Noether adiabatic invariants of the system are obtained .Finally, An example is given to support these results.
DESIGN OF TWO-PHASE SINUSOIDAL POWER CLOCK AND CLOCKED TRANSMISSION GATE ADIABATIC LOGIC CIRCUIT
Institute of Scientific and Technical Information of China (English)
Wang Pengjun; Yu Junjun
2007-01-01
First the research is conducted on the design of the two-phase sinusoidal power clock generator in this paper. Then the design of the new adiabatic logic circuit adopting the two-phase sinusoidal power clocks-Clocked Transmission Gate Adiabatic Logic (CTGAL) circuit is presented. This circuit makes use of the clocked transmission gates to sample the input signals, then the output loads are charged and discharged in a fully adiabatic manner by using bootstrapped N-Channel Metal Oxide Semiconductor (NMOS) and Complementary Metal Oxide Semiconductor (CMOS) latch structure.Finally, with the parameters of Taiwan Semiconductor Manufacturing Company (TSMC) 0.25 μm CMOS device, the transient energy consumption of CTGAL, Bootstrap Charge-Recovery Logic (BCRL)and Pass-transistor Adiabatic Logic (PAL) including their clock generators is simulated. The simulation result indicates that CTGAL circuit has the characteristic of remarkably low energy consumption.
Rapid adiabatic passage in quantum dots: Influence of scattering and dephasing
DEFF Research Database (Denmark)
Schuh, K.; Jahnke, F.; Lorke, Michael
2011-01-01
Theoretical investigations for the realization of population inversion of semiconductor quantum dot ground-state transitions by means of adiabatic passage with chirped optical pulses are presented. While the inversion due to Rabi oscillations depends sensitively on the resonance condition...
A counterexample and a modification to the adiabatic approximation theorem in quantum mechanics
Gingold, H.
1991-01-01
A counterexample to the adiabatic approximation theorem is given when degeneracies are present. A formulation of an alternative version is proposed. A complete asymptotic decomposition for n dimensional self-adjoint Hamiltonian systems is restated and used.
Adiabatic Low-Pass J Filters for Artifact Suppression in Heteronuclear NMR
DEFF Research Database (Denmark)
Meier, Sebastian; Benie, Andrew J; Duus, Jens Øllgaard
2009-01-01
NMR artifact purging: Modern NMR experiments depend on efficient coherence transfer pathways for their sensitivity and on suppression of undesired pathways leading to artifacts for their spectral clarity. A novel robust adiabatic element suppresses hard-to-get-at artifacts.......NMR artifact purging: Modern NMR experiments depend on efficient coherence transfer pathways for their sensitivity and on suppression of undesired pathways leading to artifacts for their spectral clarity. A novel robust adiabatic element suppresses hard-to-get-at artifacts....
Area and entropy spectra of black holes via an adiabatic invariant
Institute of Scientific and Technical Information of China (English)
Liu Cheng-Zhou
2012-01-01
By considering and using an adiabatic invariant for black holes,the area and entropy spectra of static sphericallysymmetric black holes are investigated.Without using quasi-normal modes of black holes,equally-spaced area and entropy spectra are derived by only utilizing the adiabatic invariant.The spectra for non-charged and charged black holes are calculated,respectively.All these results are consistent with the original Bekenstein spectra.
Adiabatic approximation of time-dependent density matrix functional response theory.
Pernal, Katarzyna; Giesbertz, Klaas; Gritsenko, Oleg; Baerends, Evert Jan
2007-12-07
Time-dependent density matrix functional theory can be formulated in terms of coupled-perturbed response equations, in which a coupling matrix K(omega) features, analogous to the well-known time-dependent density functional theory (TDDFT) case. An adiabatic approximation is needed to solve these equations, but the adiabatic approximation is much more critical since there is not a good "zero order" as in TDDFT, in which the virtual-occupied Kohn-Sham orbital energy differences serve this purpose. We discuss a simple approximation proposed earlier which uses only results from static calculations, called the static approximation (SA), and show that it is deficient, since it leads to zero response of the natural orbital occupation numbers. This leads to wrong behavior in the omega-->0 limit. An improved adiabatic approximation (AA) is formulated. The two-electron system affords a derivation of exact coupled-perturbed equations for the density matrix response, permitting analytical comparison of the adiabatic approximation with the exact equations. For the two-electron system also, the exact density matrix functional (2-matrix in terms of 1-matrix) is known, enabling testing of the static and adiabatic approximations unobscured by approximations in the functional. The two-electron HeH(+) molecule shows that at the equilibrium distance, SA consistently underestimates the frequency-dependent polarizability alpha(omega), the adiabatic TDDFT overestimates alpha(omega), while AA improves upon SA and, indeed, AA produces the correct alpha(0). For stretched HeH(+), adiabatic density matrix functional theory corrects the too low first excitation energy and overpolarization of adiabatic TDDFT methods and exhibits excellent agreement with high-quality CCSD ("exact") results over a large omega range.
Hubac, Ivan; Babinec, Peter; Polasek, Martin; Urban, Jan; Mach, Pavel; Masik, Jozef; Leszczynski, Jerzy
1998-01-01
The coupling of electronic and vibrational motion is studied by two canonical transformations namely normal coordinate transformation and momentum transformation on molecular Hamiltonian. It is shown that by these transformations we can pass from crude approximation to adiabatic approximation and then to non-adiabatic (diabatic) Hamiltonian. This leads to renormalized fermions and renormalized diabatic phonons. Simple calculations on $H_{2}$, $HD$, and $D_{2}$ systems are performed and compar...
Quantum state engineering in a cavity by Stark chirped rapid adiabatic passage
Amniat-Talab, M; Guérin, S
2006-01-01
We propose a robust scheme to generate single-photon Fock states and atom-photon and atom-atom entanglement in atom-cavity systems. We also present a scheme for quantum networking between two cavity nodes using an atomic channel. The mechanism is based on Stark-chirped rapid adiabatic passage (SCRAP) and half-SCRAP processes in a microwave cavity. The engineering of these states depends on the design of the adiabatic dynamics through the static and dynamic Stark shifts.
Quasi-adiabatic vacuum-based column housing for very high-pressure liquid chromatography.
Gritti, Fabrice; Gilar, Martin; Jarrell, Joseph A
2016-07-22
A prototype vacuum-based (10(-6)Torr) column housing was built to thermally isolate the chromatographic column from the external air environment. The heat transfer mechanism is solely controlled by surface radiation, which was minimized by wrapping the column with low-emissivity aluminum tape. The adiabaticity of the column housing was quantitatively assessed from the measurement of the operational pressure and fluid temperature at the outlet of a 2.1mm×100mm column (sub-2 μm particles). The pressure drop along the column was raised up to 1kbar. The enthalpy balance of the eluent (water, acetonitrile, and one water/acetonitrile mixture, 70/30, v/v) showed that less than 1% of the viscous heat generated by friction of the fluid against the packed bed was lost to the external air environment. Such a vacuum-based column oven minimizes the amplitude of the radial temperature gradients across the column diameter and maximizes its resolving power.
Adiabatic Quasi-Spherical Compressions Driven by Magnetic Pressure for Inertial Confinement Fusion
Energy Technology Data Exchange (ETDEWEB)
NASH,THOMAS J.
2000-11-01
The magnetic implosion of a high-Z quasi-spherical shell filled with DT fuel by the 20-MA Z accelerator can heat the fuel to near-ignition temperature. The attainable implosion velocity on Z, 13-cm/{micro}s, is fast enough that thermal losses from the fuel to the shell are small. The high-Z shell traps radiation losses from the fuel, and the fuel reaches a high enough density to reabsorb the trapped radiation. The implosion is then nearly adiabatic. In this case the temperature of the fuel increases as the square of the convergence. The initial temperature of the fuel is set by the heating of an ion acoustic wave to be about 200-eV after a convergence of 4. To reach the ignition temperature of 5-keV an additional convergence of 5 is required. The implosion dynamics of the quasi-spherical implosion is modeled with the 2-D radiation hydrodynamic code LASNEX. LASNEX shows an 8-mm diameter quasi-spherical tungsten shell on Z driving 6-atmospheres of DT fuel nearly to ignition at 3.5-keV with a convergence of 20. The convergence is limited by mass flow along the surface of the quasi-spherical shell. With a convergence of 20 the final spot size is 400-{micro}m in diameter.
Directory of Open Access Journals (Sweden)
Dong Xinlong
2015-01-01
Full Text Available The adiabatic shear bands (ASB of the tubular metal specimens expanded explosively have been studied by many researchers in the recent years. The onset and evolutions of the multiple shear failure of metal cylinder under explosive loadings are affected by many factors such as the characteristics of the impulsive loadings, the dynamic behavior of the materials, etc. In this work, we investigate the failure and fragmentation of 45# steel cylinder shell driven by the JOB9003 explosive. Experimental and FEM numerical simulation investigations are made for cylinder modeled shell. The results show that for the perfect homogeneous FEM model, the failure mechanism of cylinder shell is differs from that of the experiments, in which the spalling originates is oriented by high intensity of rarefaction wave. Through numerical experiments, it was found that distributed geometrical defects of cylinder shell affect the fragmentation process and mechanism, in which the strain localization controlled by the defects and shear bands initiate on the inter-surface of the cylinder shell.
Energy Technology Data Exchange (ETDEWEB)
Saxena, Abhishek, E-mail: asaxena@lke.mavt.ethz.ch [ETH Zurich, Laboratory for Nuclear Energy Systems, Department of Mechanical and Process Engineering, Sonneggstrasse 3, 8092 Zürich (Switzerland); Zboray, Robert [Laboratory for Thermal-hydraulics, Nuclear Energy and Safety Department, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Prasser, Horst-Michael [ETH Zurich, Laboratory for Nuclear Energy Systems, Department of Mechanical and Process Engineering, Sonneggstrasse 3, 8092 Zürich (Switzerland); Laboratory for Thermal-hydraulics, Nuclear Energy and Safety Department, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland)
2016-04-01
High conversion light water reactors (HCLWR) having triangular, tight-lattice fuels bundles could enable improved fuel utilization compared to present day LWRs. However, the efficient cooling of a tight lattice bundle has to be still proven. Major concern is the avoidance of high-quality boiling crisis (film dry-out) by the use of efficient functional spacers. For this reason, we have carried out experiments on adiabatic, air-water annular two-phase flows in a tight-lattice, triangular fuel bundle model using generic spacers. A high-spatial-resolution, non-intrusive measurement technology, cold neutron tomography, has been utilized to resolve the distribution of the liquid film thickness on the virtual fuel pin surfaces. Unsteady CFD simulations have also been performed to replicate and compare with the experiments using the commercial code STAR-CCM+. Large eddies have been resolved on the grid level to capture the dominant unsteady flow features expected to drive the liquid film thickness distribution downstream of a spacer while the subgrid scales have been modeled using the Wall Adapting Local Eddy (WALE) subgrid model. A Volume of Fluid (VOF) method, which directly tracks the interface and does away with closure relationship models for interfacial exchange terms, has also been employed. The present paper shows first comparison of the measurement with the simulation results.
Flow regimes of adiabatic gas-liquid two-phase under rolling conditions
Yan, Chaoxing; Yan, Changqi; Sun, Licheng; Xing, Dianchuan; Wang, Yang; Tian, Daogui
2013-07-01
Characteristics of adiabatic air/water two-phase flow regimes under vertical and rolling motion conditions were investigated experimentally. Test sections are two rectangular ducts with the gaps of 1.41 and 10 mm, respectively, and a circular tube with 25 mm diameter. Flow regimes were recorded by a high speed CCD-camera and were identified by examining the video images. The experimental results indicate that the characteristics of flow patterns in 10 mm wide rectangular duct under vertical condition are very similar to those in circular tube, but different from the 1.41 mm wide rectangular duct. Channel size has a significant influence on flow pattern transition, boundary of which in rectangular channels tends asymptotically towards that in the circular tube with increasing the width of narrow side. Flow patterns in rolling channels are similar to each other, nevertheless, the effect of rolling motion on flow pattern transition are significantly various. Due to the remarkable influences of the friction shear stress and surface tension in the narrow gap duct, detailed flow pattern maps of which under vertical and rolling conditions are indistinguishable. While for the circular tube with 25 mm diameter, the transition from bubbly to slug flow occurs at a higher superficial liquid velocity and the churn flow covers more area on the flow regime map as the rolling period decreases.
Adiabatic magnetocaloric effect in Ni50Mn35In15 ribbons
Álvarez-Alonso, P.; Aguilar-Ortiz, C. O.; Camarillo, J. P.; Salazar, D.; Flores-Zúñiga, H.; Chernenko, V. A.
2016-11-01
Heusler-type Ni-Mn-based metamagnetic shape memory alloys (MetaMSMAs) are promising candidates for magnetic refrigeration. To increase heat exchange rate and efficiency of cooling, the material should have a high surface/volume ratio. In this work, the typical Ni50Mn35In15 MetaMSMA was selected to fabricate thin ribbons by melt-spinning. The characteristic transformations of the ribbons were determined by calorimetry, X-ray diffraction, scanning electron microscopy and thermomagnetization measurements. The inverse and conventional magnetocaloric effects (MCEs) associated with the martensitic transformation (MT) and the ferromagnetic transition of the austenite (TCA), respectively, were measured directly by the adiabatic method (ΔTad) and indirectly by estimating the magnetic entropy change from magnetization measurements. It is found that the ribbons exhibit large values of ΔTad = -1.1 K at μ0ΔH = 1.9 T, in the vicinity of the MT temperature of 300 K for inverse MCE, and ΔTad = 2.3 K for conventional MCE at TCA = 309 K. This result strongly motivates further development of different MetaMSMA refrigerants shaped as ribbons.
Ionization coefficient approach to modeling breakdown in nonuniform geometries.
Energy Technology Data Exchange (ETDEWEB)
Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Nicolaysen, Scott D.
2003-11-01
This report summarizes the work on breakdown modeling in nonuniform geometries by the ionization coefficient approach. Included are: (1) fits to primary and secondary ionization coefficients used in the modeling; (2) analytical test cases for sphere-to-sphere, wire-to-wire, corner, coaxial, and rod-to-plane geometries; a compilation of experimental data with source references; comparisons between code results, test case results, and experimental data. A simple criterion is proposed to differentiate between corona and spark. The effect of a dielectric surface on avalanche growth is examined by means of Monte Carlo simulations. The presence of a clean dry surface does not appear to enhance growth.
Unified Dark Fluid with Constant Adiabatic Sound Speed: Including Entropic Perturbations
Xu, Lixin
2012-01-01
In this paper, we continue to study a unified dark fluid model with a constant adiabatic sound speed but with the entropic perturbations. When the entropic perturbations are included, an effective sound speed, which reduces to the adiabatic sound speed when the entropic perturbations are zero, has to be specified as an additional free model parameter. Due to the relations between the adiabatic sound speed and equations of state (EoS) $c^2_{s,ad}(a)=w(a)-d\\ln(1+w(a))/3 d\\ln a$, the equation of state can be determined up to an integration constant in principle when an adiabatic sound speed is given. Then there are two degrees of freedom to describe the linear perturbations for a fluid. Its micro-scale properties are characterized by its EoS or adiabatic sound speed and an effective sound speed. We take the effective sound speed and adiabatic sound speed as free model parameters and then use the currently available cosmic observational data sets, which include type Ia supernova Union 2.1, baryon acoustic oscilla...
Ionization Chamber Measures Extreme Ultraviolet
Carlson, Robert W.
1987-01-01
Ionization chamber operates in nearly total photon absorption as stable, self-calibrating detector of ionizing extreme ultraviolet radiation. Working gas of instrument is neon; photoionization properties well known and readily applicable to absolute measurements. Designed for measurements of solar ultraviolet flux aboard sounding rocket, instrument used on Earth to measure ultraviolet radiation in vacuum systems. Ionization chamber collects positive neon ions and electrons produced by irradiation of neon gas by ultraviolet photons. Approximately one ion produced by each photon; consequently, photoionization current nearly proportional to photon flux.